USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=34 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 123 TYR OH : rot 179:sc= 0.0942 USER MOD Set 1.2: A 127 ASN : amide:sc= 0.0407 K(o=0.13,f=0.69) USER MOD Set 2.1: A 116 MET CE :methyl -166:sc= -0.0518 (180deg=-0.309) USER MOD Set 2.2: A 120 GLN : amide:sc= 0.528 K(o=0.48,f=-2.2!) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -107:sc= 1.63 (180deg=0.462) USER MOD Set 3.2: A 74 ASN : amide:sc= 1.38 K(o=3,f=-6.9!) USER MOD Set 4.1: A 60 TYR OH : rot 160:sc= 1.93 USER MOD Set 4.2: A 68 ASN : amide:sc= 2.12 K(o=4,f=-1.2) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -176:sc= 1.89 (180deg=0.656) USER MOD Set 5.2: A 56 TYR OH : rot 66:sc= -0.15! USER MOD Set 6.1: A 37 CYS SG : rot 73:sc= 0.205 USER MOD Set 6.2: A 41 MET CE :methyl -161:sc= -0.047 (180deg=-0.316) USER MOD Set 6.3: A 75 TYR OH : rot 152:sc= 0.0985 USER MOD Set 6.4: A 79 MET CE :methyl 173:sc= -1.55 (180deg=-1.76) USER MOD Single : A 7 THR OG1 : rot -162:sc= 1.05 USER MOD Single : A 10 GLN : amide:sc= 1.1 K(o=1.1,f=-0.053) USER MOD Single : A 11 MET CE :methyl -137:sc= 0 (180deg=-1.51) USER MOD Single : A 12 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.05) USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 1.03 (180deg=0.855) USER MOD Single : A 16 GLN : amide:sc= 0.388 K(o=0.39,f=-0.16) USER MOD Single : A 17 SER OG : rot 78:sc= 0.833 USER MOD Single : A 24 ASN : amide:sc= 1.09 K(o=1.1,f=-0.083) USER MOD Single : A 25 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-5.1!) USER MOD Single : A 36 SER OG : rot 165:sc= 1.24 USER MOD Single : A 39 SER OG : rot 81:sc= 0.194 USER MOD Single : A 40 SER OG : rot 71:sc= 1.26 USER MOD Single : A 49 THR OG1 : rot 107:sc= 0.616 USER MOD Single : A 55 GLN : amide:sc= 0.953 K(o=0.95,f=-3.9!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 1.09 K(o=1.1,f=-0.00034) USER MOD Single : A 64 THR OG1 : rot -154:sc= 1.22 USER MOD Single : A 71 SER OG : rot 122:sc= 1.01 USER MOD Single : A 77 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.44) USER MOD Single : A 78 TYR OH : rot 151:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 83 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 106:sc= 0.788 USER MOD Single : A 98 THR OG1 : rot 154:sc= 1.25 USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= 1.09 (180deg=0.378) USER MOD Single : A 105 SER OG : rot 1:sc= 0.267 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 111 MET CE :methyl 143:sc= -0.0209 (180deg=-2.13) USER MOD Single : A 112 GLN : amide:sc= 0.677 K(o=0.68,f=-2.7!) USER MOD Single : A 113 LYS NZ :NH3+ 141:sc= 1.23 (180deg=0.485) USER MOD Single : A 117 SER OG : rot 146:sc= 1.14 USER MOD Single : A 125 LYS NZ :NH3+ 166:sc= 2.33 (180deg=2.03) USER MOD Single : A 130 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 135 TYR OH : rot 180:sc= -0.0585 USER MOD Single : A 137 TYR OH : rot 25:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -11.642 11.131 10.833 1.00 23.03 N ATOM 41 CA GLY A 5 -10.448 10.368 10.649 1.00 72.02 C ATOM 42 C GLY A 5 -10.000 10.448 9.224 1.00 0.45 C ATOM 43 O GLY A 5 -8.834 10.213 8.915 1.00 31.24 O ATOM 0 HA2 GLY A 5 -9.663 10.742 11.306 1.00 72.02 H new ATOM 0 HA3 GLY A 5 -10.626 9.328 10.924 1.00 72.02 H new ATOM 47 N VAL A 6 -10.928 10.771 8.347 1.00 55.12 N ATOM 48 CA VAL A 6 -10.604 10.958 6.954 1.00 12.32 C ATOM 49 C VAL A 6 -10.409 12.429 6.735 1.00 74.41 C ATOM 50 O VAL A 6 -10.986 13.249 7.450 1.00 4.41 O ATOM 51 CB VAL A 6 -11.722 10.490 6.004 1.00 63.23 C ATOM 52 CG1 VAL A 6 -11.217 10.382 4.562 1.00 10.00 C ATOM 53 CG2 VAL A 6 -12.388 9.215 6.485 1.00 62.53 C ATOM 0 H VAL A 6 -11.912 10.909 8.577 1.00 55.12 H new ATOM 0 HA VAL A 6 -9.716 10.366 6.734 1.00 12.32 H new ATOM 0 HB VAL A 6 -12.499 11.255 6.013 1.00 63.23 H new ATOM 0 HG11 VAL A 6 -12.029 10.049 3.916 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -10.862 11.357 4.227 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -10.399 9.663 4.516 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -13.169 8.925 5.782 1.00 62.53 H new ATOM 0 HG22 VAL A 6 -11.646 8.419 6.551 1.00 62.53 H new ATOM 0 HG23 VAL A 6 -12.828 9.383 7.468 1.00 62.53 H new ATOM 63 N THR A 7 -9.621 12.754 5.784 1.00 72.42 N ATOM 64 CA THR A 7 -9.327 14.095 5.492 1.00 3.01 C ATOM 65 C THR A 7 -9.963 14.509 4.133 1.00 3.20 C ATOM 66 O THR A 7 -10.453 13.632 3.331 1.00 4.42 O ATOM 67 CB THR A 7 -7.806 14.277 5.486 1.00 1.32 C ATOM 68 OG1 THR A 7 -7.488 15.652 5.337 1.00 4.44 O ATOM 69 CG2 THR A 7 -7.192 13.429 4.372 1.00 52.50 C ATOM 0 H THR A 7 -9.155 12.080 5.177 1.00 72.42 H new ATOM 0 HA THR A 7 -9.754 14.746 6.255 1.00 3.01 H new ATOM 0 HB THR A 7 -7.387 13.940 6.434 1.00 1.32 H new ATOM 0 HG1 THR A 7 -6.557 15.743 5.044 1.00 4.44 H new ATOM 0 HG21 THR A 7 -6.110 13.560 4.369 1.00 52.50 H new ATOM 0 HG22 THR A 7 -7.430 12.379 4.541 1.00 52.50 H new ATOM 0 HG23 THR A 7 -7.598 13.743 3.410 1.00 52.50 H new ATOM 77 N ALA A 8 -9.905 15.804 3.852 1.00 71.22 N ATOM 78 CA ALA A 8 -10.497 16.383 2.663 1.00 42.11 C ATOM 79 C ALA A 8 -9.800 15.856 1.435 1.00 65.31 C ATOM 80 O ALA A 8 -10.442 15.594 0.417 1.00 2.35 O ATOM 81 CB ALA A 8 -10.421 17.903 2.714 1.00 13.20 C ATOM 0 H ALA A 8 -9.440 16.485 4.452 1.00 71.22 H new ATOM 0 HA ALA A 8 -11.548 16.099 2.618 1.00 42.11 H new ATOM 0 HB1 ALA A 8 -10.870 18.320 1.813 1.00 13.20 H new ATOM 0 HB2 ALA A 8 -10.960 18.265 3.589 1.00 13.20 H new ATOM 0 HB3 ALA A 8 -9.378 18.213 2.776 1.00 13.20 H new ATOM 87 N GLU A 9 -8.488 15.696 1.553 1.00 21.35 N ATOM 88 CA GLU A 9 -7.657 15.117 0.516 1.00 23.15 C ATOM 89 C GLU A 9 -8.216 13.776 0.090 1.00 24.13 C ATOM 90 O GLU A 9 -8.500 13.572 -1.071 1.00 33.52 O ATOM 91 CB GLU A 9 -6.178 14.942 0.955 1.00 54.22 C ATOM 92 CG GLU A 9 -5.476 16.203 1.478 1.00 21.52 C ATOM 93 CD GLU A 9 -5.940 16.589 2.861 1.00 63.33 C ATOM 94 OE1 GLU A 9 -6.927 17.333 2.978 1.00 24.24 O ATOM 95 OE2 GLU A 9 -5.375 16.082 3.841 1.00 43.40 O ATOM 0 H GLU A 9 -7.968 15.970 2.386 1.00 21.35 H new ATOM 0 HA GLU A 9 -7.669 15.816 -0.320 1.00 23.15 H new ATOM 0 HB2 GLU A 9 -6.139 14.180 1.733 1.00 54.22 H new ATOM 0 HB3 GLU A 9 -5.611 14.560 0.106 1.00 54.22 H new ATOM 0 HG2 GLU A 9 -4.399 16.036 1.493 1.00 21.52 H new ATOM 0 HG3 GLU A 9 -5.661 17.029 0.792 1.00 21.52 H new ATOM 102 N GLN A 10 -8.479 12.862 1.034 1.00 0.51 N ATOM 103 CA GLN A 10 -8.969 11.589 0.573 1.00 25.43 C ATOM 104 C GLN A 10 -10.307 11.665 0.025 1.00 1.11 C ATOM 105 O GLN A 10 -10.620 10.933 -0.902 1.00 2.14 O ATOM 106 CB GLN A 10 -8.898 10.424 1.480 1.00 53.44 C ATOM 107 CG GLN A 10 -8.151 9.349 0.768 1.00 11.24 C ATOM 108 CD GLN A 10 -6.666 9.345 1.082 1.00 34.31 C ATOM 109 OE1 GLN A 10 -6.238 8.668 2.004 1.00 24.14 O ATOM 110 NE2 GLN A 10 -5.884 10.129 0.376 1.00 61.01 N ATOM 0 H GLN A 10 -8.367 12.977 2.041 1.00 0.51 H new ATOM 0 HA GLN A 10 -8.226 11.383 -0.197 1.00 25.43 H new ATOM 0 HB2 GLN A 10 -8.394 10.691 2.409 1.00 53.44 H new ATOM 0 HB3 GLN A 10 -9.899 10.084 1.747 1.00 53.44 H new ATOM 0 HG2 GLN A 10 -8.575 8.382 1.036 1.00 11.24 H new ATOM 0 HG3 GLN A 10 -8.288 9.470 -0.306 1.00 11.24 H new ATOM 0 HE21 GLN A 10 -6.272 10.682 -0.388 1.00 61.01 H new ATOM 0 HE22 GLN A 10 -4.889 10.185 0.592 1.00 61.01 H new ATOM 119 N MET A 11 -11.103 12.558 0.543 1.00 4.33 N ATOM 120 CA MET A 11 -12.414 12.760 -0.034 1.00 3.24 C ATOM 121 C MET A 11 -12.292 13.157 -1.535 1.00 63.32 C ATOM 122 O MET A 11 -13.250 13.082 -2.287 1.00 10.14 O ATOM 123 CB MET A 11 -13.264 13.743 0.772 1.00 73.20 C ATOM 124 CG MET A 11 -13.616 13.251 2.168 1.00 24.43 C ATOM 125 SD MET A 11 -14.539 11.701 2.148 1.00 53.32 S ATOM 126 CE MET A 11 -14.756 11.408 3.898 1.00 2.23 C ATOM 0 H MET A 11 -10.880 13.148 1.345 1.00 4.33 H new ATOM 0 HA MET A 11 -12.950 11.812 0.013 1.00 3.24 H new ATOM 0 HB2 MET A 11 -12.728 14.689 0.855 1.00 73.20 H new ATOM 0 HB3 MET A 11 -14.185 13.945 0.225 1.00 73.20 H new ATOM 0 HG2 MET A 11 -12.700 13.116 2.743 1.00 24.43 H new ATOM 0 HG3 MET A 11 -14.204 14.013 2.680 1.00 24.43 H new ATOM 0 HE1 MET A 11 -14.572 10.356 4.116 1.00 2.23 H new ATOM 0 HE2 MET A 11 -14.053 12.023 4.460 1.00 2.23 H new ATOM 0 HE3 MET A 11 -15.775 11.666 4.186 1.00 2.23 H new ATOM 136 N GLN A 12 -11.095 13.605 -1.927 1.00 12.53 N ATOM 137 CA GLN A 12 -10.757 13.871 -3.296 1.00 71.21 C ATOM 138 C GLN A 12 -10.175 12.601 -3.997 1.00 41.02 C ATOM 139 O GLN A 12 -10.696 12.208 -5.046 1.00 42.32 O ATOM 140 CB GLN A 12 -9.734 15.002 -3.402 1.00 14.34 C ATOM 141 CG GLN A 12 -9.424 15.426 -4.831 1.00 71.22 C ATOM 142 CD GLN A 12 -8.218 16.344 -4.935 1.00 51.22 C ATOM 143 OE1 GLN A 12 -8.178 17.227 -5.790 1.00 52.11 O ATOM 144 NE2 GLN A 12 -7.191 16.083 -4.161 1.00 2.32 N ATOM 0 H GLN A 12 -10.332 13.791 -1.276 1.00 12.53 H new ATOM 0 HA GLN A 12 -11.680 14.166 -3.795 1.00 71.21 H new ATOM 0 HB2 GLN A 12 -10.105 15.866 -2.850 1.00 14.34 H new ATOM 0 HB3 GLN A 12 -8.809 14.688 -2.919 1.00 14.34 H new ATOM 0 HG2 GLN A 12 -9.249 14.537 -5.437 1.00 71.22 H new ATOM 0 HG3 GLN A 12 -10.294 15.931 -5.250 1.00 71.22 H new ATOM 0 HE21 GLN A 12 -7.255 15.344 -3.461 1.00 2.32 H new ATOM 0 HE22 GLN A 12 -6.329 16.619 -4.260 1.00 2.32 H new ATOM 153 N GLU A 13 -9.130 11.904 -3.413 1.00 20.45 N ATOM 154 CA GLU A 13 -8.460 10.832 -4.218 1.00 3.12 C ATOM 155 C GLU A 13 -9.250 9.567 -4.175 1.00 55.33 C ATOM 156 O GLU A 13 -9.509 8.909 -5.209 1.00 1.24 O ATOM 157 CB GLU A 13 -7.015 10.489 -3.782 1.00 52.24 C ATOM 158 CG GLU A 13 -5.997 11.612 -3.822 1.00 64.23 C ATOM 159 CD GLU A 13 -6.168 12.553 -2.687 1.00 2.13 C ATOM 160 OE1 GLU A 13 -6.130 12.070 -1.524 1.00 65.03 O ATOM 161 OE2 GLU A 13 -6.395 13.752 -2.931 1.00 31.31 O ATOM 0 H GLU A 13 -8.766 12.052 -2.472 1.00 20.45 H new ATOM 0 HA GLU A 13 -8.409 11.252 -5.223 1.00 3.12 H new ATOM 0 HB2 GLU A 13 -7.052 10.102 -2.764 1.00 52.24 H new ATOM 0 HB3 GLU A 13 -6.653 9.681 -4.417 1.00 52.24 H new ATOM 0 HG2 GLU A 13 -4.992 11.192 -3.797 1.00 64.23 H new ATOM 0 HG3 GLU A 13 -6.092 12.155 -4.762 1.00 64.23 H new ATOM 168 N PHE A 14 -9.685 9.257 -2.997 1.00 5.11 N ATOM 169 CA PHE A 14 -10.404 8.062 -2.709 1.00 71.33 C ATOM 170 C PHE A 14 -11.713 8.071 -3.476 1.00 13.41 C ATOM 171 O PHE A 14 -12.169 7.032 -3.962 1.00 41.55 O ATOM 172 CB PHE A 14 -10.578 7.973 -1.193 1.00 11.04 C ATOM 173 CG PHE A 14 -11.924 7.723 -0.746 1.00 30.22 C ATOM 174 CD1 PHE A 14 -12.436 6.477 -0.785 1.00 62.01 C ATOM 175 CD2 PHE A 14 -12.686 8.755 -0.311 1.00 13.32 C ATOM 176 CE1 PHE A 14 -13.692 6.245 -0.397 1.00 64.02 C ATOM 177 CE2 PHE A 14 -13.941 8.561 0.078 1.00 22.23 C ATOM 178 CZ PHE A 14 -14.472 7.290 0.043 1.00 51.43 C ATOM 0 H PHE A 14 -9.543 9.852 -2.180 1.00 5.11 H new ATOM 0 HA PHE A 14 -9.869 7.169 -3.031 1.00 71.33 H new ATOM 0 HB2 PHE A 14 -9.933 7.180 -0.815 1.00 11.04 H new ATOM 0 HB3 PHE A 14 -10.231 8.905 -0.748 1.00 11.04 H new ATOM 0 HD1 PHE A 14 -11.824 5.658 -1.134 1.00 62.01 H new ATOM 0 HD2 PHE A 14 -12.267 9.750 -0.280 1.00 13.32 H new ATOM 0 HE1 PHE A 14 -14.094 5.243 -0.428 1.00 64.02 H new ATOM 0 HE2 PHE A 14 -14.540 9.392 0.419 1.00 22.23 H new ATOM 0 HZ PHE A 14 -15.490 7.116 0.358 1.00 51.43 H new ATOM 188 N LYS A 15 -12.268 9.265 -3.628 1.00 3.43 N ATOM 189 CA LYS A 15 -13.461 9.468 -4.396 1.00 3.22 C ATOM 190 C LYS A 15 -13.273 9.018 -5.828 1.00 13.54 C ATOM 191 O LYS A 15 -14.144 8.413 -6.366 1.00 41.51 O ATOM 192 CB LYS A 15 -13.942 10.930 -4.284 1.00 64.21 C ATOM 193 CG LYS A 15 -14.963 11.435 -5.345 1.00 64.40 C ATOM 194 CD LYS A 15 -16.256 10.603 -5.409 1.00 72.34 C ATOM 195 CE LYS A 15 -17.229 11.163 -6.454 1.00 0.21 C ATOM 196 NZ LYS A 15 -18.364 10.239 -6.743 1.00 61.35 N ATOM 0 H LYS A 15 -11.891 10.118 -3.214 1.00 3.43 H new ATOM 0 HA LYS A 15 -14.253 8.844 -3.981 1.00 3.22 H new ATOM 0 HB2 LYS A 15 -14.388 11.062 -3.298 1.00 64.21 H new ATOM 0 HB3 LYS A 15 -13.065 11.576 -4.327 1.00 64.21 H new ATOM 0 HG2 LYS A 15 -15.219 12.471 -5.124 1.00 64.40 H new ATOM 0 HG3 LYS A 15 -14.488 11.426 -6.326 1.00 64.40 H new ATOM 0 HD2 LYS A 15 -16.013 9.569 -5.653 1.00 72.34 H new ATOM 0 HD3 LYS A 15 -16.735 10.596 -4.430 1.00 72.34 H new ATOM 0 HE2 LYS A 15 -17.623 12.116 -6.102 1.00 0.21 H new ATOM 0 HE3 LYS A 15 -16.686 11.364 -7.378 1.00 0.21 H new ATOM 0 HZ1 LYS A 15 -19.228 10.793 -6.912 1.00 61.35 H new ATOM 0 HZ2 LYS A 15 -18.144 9.673 -7.587 1.00 61.35 H new ATOM 0 HZ3 LYS A 15 -18.512 9.606 -5.931 1.00 61.35 H new ATOM 210 N GLN A 16 -12.099 9.225 -6.391 1.00 43.45 N ATOM 211 CA GLN A 16 -11.879 8.857 -7.789 1.00 45.34 C ATOM 212 C GLN A 16 -11.632 7.352 -7.859 1.00 33.45 C ATOM 213 O GLN A 16 -12.162 6.635 -8.724 1.00 41.41 O ATOM 214 CB GLN A 16 -10.641 9.581 -8.351 1.00 31.31 C ATOM 215 CG GLN A 16 -10.532 11.055 -7.974 1.00 35.20 C ATOM 216 CD GLN A 16 -11.728 11.896 -8.379 1.00 24.34 C ATOM 217 OE1 GLN A 16 -12.384 11.642 -9.370 1.00 3.11 O ATOM 218 NE2 GLN A 16 -12.028 12.883 -7.578 1.00 31.23 N ATOM 0 H GLN A 16 -11.294 9.637 -5.920 1.00 43.45 H new ATOM 0 HA GLN A 16 -12.754 9.140 -8.374 1.00 45.34 H new ATOM 0 HB2 GLN A 16 -9.747 9.065 -8.002 1.00 31.31 H new ATOM 0 HB3 GLN A 16 -10.653 9.499 -9.438 1.00 31.31 H new ATOM 0 HG2 GLN A 16 -10.397 11.132 -6.895 1.00 35.20 H new ATOM 0 HG3 GLN A 16 -9.637 11.471 -8.437 1.00 35.20 H new ATOM 0 HE21 GLN A 16 -11.453 13.065 -6.755 1.00 31.23 H new ATOM 0 HE22 GLN A 16 -12.837 13.472 -7.775 1.00 31.23 H new ATOM 227 N SER A 17 -10.870 6.886 -6.891 1.00 71.03 N ATOM 228 CA SER A 17 -10.424 5.516 -6.822 1.00 72.24 C ATOM 229 C SER A 17 -11.580 4.518 -6.627 1.00 3.12 C ATOM 230 O SER A 17 -11.561 3.432 -7.200 1.00 50.43 O ATOM 231 CB SER A 17 -9.393 5.379 -5.716 1.00 51.41 C ATOM 232 OG SER A 17 -8.371 6.370 -5.864 1.00 40.43 O ATOM 0 H SER A 17 -10.539 7.462 -6.117 1.00 71.03 H new ATOM 0 HA SER A 17 -9.971 5.265 -7.781 1.00 72.24 H new ATOM 0 HB2 SER A 17 -9.875 5.487 -4.745 1.00 51.41 H new ATOM 0 HB3 SER A 17 -8.950 4.383 -5.744 1.00 51.41 H new ATOM 0 HG SER A 17 -8.703 7.233 -5.540 1.00 40.43 H new ATOM 238 N PHE A 18 -12.578 4.866 -5.815 1.00 63.00 N ATOM 239 CA PHE A 18 -13.697 3.954 -5.645 1.00 12.53 C ATOM 240 C PHE A 18 -14.649 4.108 -6.838 1.00 45.44 C ATOM 241 O PHE A 18 -15.185 3.141 -7.342 1.00 64.24 O ATOM 242 CB PHE A 18 -14.463 4.191 -4.289 1.00 74.34 C ATOM 243 CG PHE A 18 -15.559 5.224 -4.307 1.00 14.41 C ATOM 244 CD1 PHE A 18 -16.848 4.873 -4.694 1.00 64.31 C ATOM 245 CD2 PHE A 18 -15.311 6.524 -3.954 1.00 14.31 C ATOM 246 CE1 PHE A 18 -17.846 5.802 -4.733 1.00 3.24 C ATOM 247 CE2 PHE A 18 -16.317 7.462 -3.994 1.00 3.14 C ATOM 248 CZ PHE A 18 -17.578 7.100 -4.385 1.00 43.52 C ATOM 0 H PHE A 18 -12.633 5.737 -5.286 1.00 63.00 H new ATOM 0 HA PHE A 18 -13.307 2.937 -5.606 1.00 12.53 H new ATOM 0 HB2 PHE A 18 -14.894 3.242 -3.971 1.00 74.34 H new ATOM 0 HB3 PHE A 18 -13.734 4.480 -3.532 1.00 74.34 H new ATOM 0 HD1 PHE A 18 -17.062 3.850 -4.968 1.00 64.31 H new ATOM 0 HD2 PHE A 18 -14.319 6.815 -3.642 1.00 14.31 H new ATOM 0 HE1 PHE A 18 -18.842 5.516 -5.037 1.00 3.24 H new ATOM 0 HE2 PHE A 18 -16.111 8.485 -3.717 1.00 3.14 H new ATOM 0 HZ PHE A 18 -18.364 7.840 -4.419 1.00 43.52 H new ATOM 258 N ASP A 19 -14.760 5.355 -7.304 1.00 61.40 N ATOM 259 CA ASP A 19 -15.732 5.793 -8.327 1.00 32.43 C ATOM 260 C ASP A 19 -15.557 5.024 -9.594 1.00 24.04 C ATOM 261 O ASP A 19 -16.507 4.477 -10.139 1.00 24.10 O ATOM 262 CB ASP A 19 -15.480 7.244 -8.627 1.00 2.11 C ATOM 263 CG ASP A 19 -16.657 7.965 -9.199 1.00 12.11 C ATOM 264 OD1 ASP A 19 -16.881 7.932 -10.407 1.00 2.13 O ATOM 265 OD2 ASP A 19 -17.386 8.596 -8.406 1.00 22.32 O ATOM 0 H ASP A 19 -14.163 6.114 -6.975 1.00 61.40 H new ATOM 0 HA ASP A 19 -16.740 5.629 -7.946 1.00 32.43 H new ATOM 0 HB2 ASP A 19 -15.172 7.745 -7.709 1.00 2.11 H new ATOM 0 HB3 ASP A 19 -14.647 7.320 -9.326 1.00 2.11 H new ATOM 270 N ALA A 20 -14.303 4.955 -10.024 1.00 13.40 N ATOM 271 CA ALA A 20 -13.908 4.267 -11.242 1.00 21.44 C ATOM 272 C ALA A 20 -14.403 2.811 -11.277 1.00 44.32 C ATOM 273 O ALA A 20 -14.625 2.249 -12.345 1.00 52.42 O ATOM 274 CB ALA A 20 -12.388 4.302 -11.357 1.00 14.02 C ATOM 0 H ALA A 20 -13.522 5.383 -9.527 1.00 13.40 H new ATOM 0 HA ALA A 20 -14.368 4.781 -12.086 1.00 21.44 H new ATOM 0 HB1 ALA A 20 -12.080 3.788 -12.268 1.00 14.02 H new ATOM 0 HB2 ALA A 20 -12.050 5.338 -11.392 1.00 14.02 H new ATOM 0 HB3 ALA A 20 -11.946 3.805 -10.493 1.00 14.02 H new ATOM 280 N PHE A 21 -14.524 2.209 -10.116 1.00 1.45 N ATOM 281 CA PHE A 21 -14.925 0.830 -10.011 1.00 43.31 C ATOM 282 C PHE A 21 -16.384 0.639 -9.597 1.00 71.52 C ATOM 283 O PHE A 21 -16.774 -0.474 -9.302 1.00 71.01 O ATOM 284 CB PHE A 21 -13.986 0.071 -9.076 1.00 60.54 C ATOM 285 CG PHE A 21 -12.576 0.013 -9.586 1.00 44.34 C ATOM 286 CD1 PHE A 21 -12.205 -0.938 -10.518 1.00 11.13 C ATOM 287 CD2 PHE A 21 -11.626 0.919 -9.146 1.00 1.20 C ATOM 288 CE1 PHE A 21 -10.916 -0.988 -10.998 1.00 4.11 C ATOM 289 CE2 PHE A 21 -10.334 0.877 -9.623 1.00 25.22 C ATOM 290 CZ PHE A 21 -9.978 -0.077 -10.550 1.00 61.54 C ATOM 0 H PHE A 21 -14.347 2.663 -9.220 1.00 1.45 H new ATOM 0 HA PHE A 21 -14.849 0.414 -11.016 1.00 43.31 H new ATOM 0 HB2 PHE A 21 -13.993 0.548 -8.096 1.00 60.54 H new ATOM 0 HB3 PHE A 21 -14.360 -0.944 -8.939 1.00 60.54 H new ATOM 0 HD1 PHE A 21 -12.935 -1.650 -10.874 1.00 11.13 H new ATOM 0 HD2 PHE A 21 -11.901 1.669 -8.419 1.00 1.20 H new ATOM 0 HE1 PHE A 21 -10.638 -1.738 -11.724 1.00 4.11 H new ATOM 0 HE2 PHE A 21 -9.603 1.590 -9.271 1.00 25.22 H new ATOM 0 HZ PHE A 21 -8.967 -0.113 -10.927 1.00 61.54 H new ATOM 300 N ASP A 22 -17.191 1.685 -9.570 1.00 23.25 N ATOM 301 CA ASP A 22 -18.572 1.493 -9.112 1.00 24.01 C ATOM 302 C ASP A 22 -19.579 1.886 -10.195 1.00 4.21 C ATOM 303 O ASP A 22 -19.210 2.473 -11.209 1.00 73.22 O ATOM 304 CB ASP A 22 -18.856 2.253 -7.804 1.00 25.55 C ATOM 305 CG ASP A 22 -20.119 1.740 -7.115 1.00 3.23 C ATOM 306 OD1 ASP A 22 -20.068 0.680 -6.456 1.00 12.42 O ATOM 307 OD2 ASP A 22 -21.187 2.357 -7.307 1.00 52.21 O ATOM 0 H ASP A 22 -16.940 2.635 -9.843 1.00 23.25 H new ATOM 0 HA ASP A 22 -18.691 0.429 -8.907 1.00 24.01 H new ATOM 0 HB2 ASP A 22 -18.006 2.148 -7.130 1.00 25.55 H new ATOM 0 HB3 ASP A 22 -18.964 3.316 -8.017 1.00 25.55 H new ATOM 312 N GLY A 23 -20.839 1.543 -9.980 1.00 41.45 N ATOM 313 CA GLY A 23 -21.873 1.834 -10.937 1.00 64.14 C ATOM 314 C GLY A 23 -22.853 2.896 -10.460 1.00 30.11 C ATOM 315 O GLY A 23 -23.591 3.455 -11.265 1.00 55.53 O ATOM 0 H GLY A 23 -21.163 1.060 -9.142 1.00 41.45 H new ATOM 0 HA2 GLY A 23 -21.414 2.165 -11.868 1.00 64.14 H new ATOM 0 HA3 GLY A 23 -22.420 0.918 -11.160 1.00 64.14 H new ATOM 319 N ASN A 24 -22.885 3.157 -9.159 1.00 31.11 N ATOM 320 CA ASN A 24 -23.814 4.151 -8.606 1.00 34.13 C ATOM 321 C ASN A 24 -23.025 5.321 -8.011 1.00 54.44 C ATOM 322 O ASN A 24 -23.544 6.425 -7.876 1.00 11.13 O ATOM 323 CB ASN A 24 -24.724 3.485 -7.544 1.00 42.23 C ATOM 324 CG ASN A 24 -25.848 4.387 -7.032 1.00 23.01 C ATOM 325 OD1 ASN A 24 -26.912 4.472 -7.644 1.00 22.44 O ATOM 326 ND2 ASN A 24 -25.671 4.986 -5.887 1.00 10.12 N ATOM 0 H ASN A 24 -22.288 2.703 -8.468 1.00 31.11 H new ATOM 0 HA ASN A 24 -24.451 4.541 -9.400 1.00 34.13 H new ATOM 0 HB2 ASN A 24 -25.162 2.583 -7.971 1.00 42.23 H new ATOM 0 HB3 ASN A 24 -24.110 3.172 -6.699 1.00 42.23 H new ATOM 0 HD21 ASN A 24 -26.424 5.540 -5.480 1.00 10.12 H new ATOM 0 HD22 ASN A 24 -24.779 4.900 -5.399 1.00 10.12 H new ATOM 333 N HIS A 25 -21.751 5.036 -7.686 1.00 32.33 N ATOM 334 CA HIS A 25 -20.685 5.990 -7.256 1.00 25.41 C ATOM 335 C HIS A 25 -21.122 7.172 -6.338 1.00 23.54 C ATOM 336 O HIS A 25 -20.486 8.257 -6.326 1.00 70.04 O ATOM 337 CB HIS A 25 -19.782 6.447 -8.449 1.00 14.54 C ATOM 338 CG HIS A 25 -20.369 7.377 -9.514 1.00 24.20 C ATOM 339 ND1 HIS A 25 -19.586 8.046 -10.428 1.00 40.02 N ATOM 340 CD2 HIS A 25 -21.643 7.737 -9.802 1.00 21.43 C ATOM 341 CE1 HIS A 25 -20.372 8.765 -11.214 1.00 33.00 C ATOM 342 NE2 HIS A 25 -21.638 8.619 -10.880 1.00 73.25 N ATOM 0 H HIS A 25 -21.406 4.077 -7.715 1.00 32.33 H new ATOM 0 HA HIS A 25 -20.076 5.388 -6.581 1.00 25.41 H new ATOM 0 HB2 HIS A 25 -18.907 6.941 -8.028 1.00 14.54 H new ATOM 0 HB3 HIS A 25 -19.428 5.549 -8.956 1.00 14.54 H new ATOM 0 HD1 HIS A 25 -18.569 7.996 -10.489 1.00 40.02 H new ATOM 0 HD2 HIS A 25 -22.523 7.394 -9.278 1.00 21.43 H new ATOM 0 HE1 HIS A 25 -20.021 9.389 -12.023 1.00 33.00 H new ATOM 350 N ASP A 26 -22.086 6.910 -5.476 1.00 51.05 N ATOM 351 CA ASP A 26 -22.675 7.910 -4.554 1.00 3.11 C ATOM 352 C ASP A 26 -21.821 8.079 -3.307 1.00 13.23 C ATOM 353 O ASP A 26 -22.128 8.873 -2.424 1.00 72.05 O ATOM 354 CB ASP A 26 -24.074 7.465 -4.131 1.00 70.14 C ATOM 355 CG ASP A 26 -24.040 6.144 -3.388 1.00 34.51 C ATOM 356 OD1 ASP A 26 -23.698 5.118 -4.036 1.00 35.22 O ATOM 357 OD2 ASP A 26 -24.320 6.119 -2.189 1.00 41.52 O ATOM 0 H ASP A 26 -22.502 5.983 -5.382 1.00 51.05 H new ATOM 0 HA ASP A 26 -22.723 8.862 -5.083 1.00 3.11 H new ATOM 0 HB2 ASP A 26 -24.523 8.229 -3.496 1.00 70.14 H new ATOM 0 HB3 ASP A 26 -24.708 7.371 -5.012 1.00 70.14 H new ATOM 362 N GLY A 27 -20.710 7.411 -3.291 1.00 64.01 N ATOM 363 CA GLY A 27 -19.856 7.427 -2.140 1.00 71.22 C ATOM 364 C GLY A 27 -19.817 6.092 -1.475 1.00 0.32 C ATOM 365 O GLY A 27 -19.267 5.948 -0.381 1.00 30.45 O ATOM 0 H GLY A 27 -20.370 6.843 -4.067 1.00 64.01 H new ATOM 0 HA2 GLY A 27 -18.848 7.718 -2.436 1.00 71.22 H new ATOM 0 HA3 GLY A 27 -20.209 8.178 -1.433 1.00 71.22 H new ATOM 369 N ILE A 28 -20.399 5.117 -2.128 1.00 54.54 N ATOM 370 CA ILE A 28 -20.375 3.758 -1.674 1.00 60.04 C ATOM 371 C ILE A 28 -19.966 2.877 -2.871 1.00 35.21 C ATOM 372 O ILE A 28 -20.178 3.273 -4.013 1.00 42.32 O ATOM 373 CB ILE A 28 -21.785 3.312 -1.137 1.00 0.43 C ATOM 374 CG1 ILE A 28 -22.290 4.276 -0.044 1.00 52.50 C ATOM 375 CG2 ILE A 28 -21.752 1.881 -0.600 1.00 73.13 C ATOM 376 CD1 ILE A 28 -23.671 3.947 0.498 1.00 64.03 C ATOM 0 H ILE A 28 -20.908 5.252 -3.001 1.00 54.54 H new ATOM 0 HA ILE A 28 -19.667 3.656 -0.852 1.00 60.04 H new ATOM 0 HB ILE A 28 -22.477 3.344 -1.979 1.00 0.43 H new ATOM 0 HG12 ILE A 28 -21.579 4.273 0.782 1.00 52.50 H new ATOM 0 HG13 ILE A 28 -22.304 5.288 -0.448 1.00 52.50 H new ATOM 0 HG21 ILE A 28 -22.742 1.606 -0.237 1.00 73.13 H new ATOM 0 HG22 ILE A 28 -21.455 1.200 -1.398 1.00 73.13 H new ATOM 0 HG23 ILE A 28 -21.035 1.816 0.218 1.00 73.13 H new ATOM 0 HD11 ILE A 28 -23.945 4.676 1.261 1.00 64.03 H new ATOM 0 HD12 ILE A 28 -24.398 3.980 -0.314 1.00 64.03 H new ATOM 0 HD13 ILE A 28 -23.662 2.949 0.936 1.00 64.03 H new ATOM 388 N LEU A 29 -19.313 1.755 -2.600 1.00 74.04 N ATOM 389 CA LEU A 29 -18.943 0.792 -3.622 1.00 35.23 C ATOM 390 C LEU A 29 -19.444 -0.594 -3.159 1.00 35.15 C ATOM 391 O LEU A 29 -19.334 -0.921 -1.962 1.00 40.44 O ATOM 392 CB LEU A 29 -17.404 0.777 -3.765 1.00 52.13 C ATOM 393 CG LEU A 29 -16.838 0.462 -5.137 1.00 43.13 C ATOM 394 CD1 LEU A 29 -15.357 0.732 -5.182 1.00 31.44 C ATOM 395 CD2 LEU A 29 -17.098 -0.943 -5.516 1.00 23.11 C ATOM 0 H LEU A 29 -19.025 1.488 -1.659 1.00 74.04 H new ATOM 0 HA LEU A 29 -19.383 1.050 -4.585 1.00 35.23 H new ATOM 0 HB2 LEU A 29 -17.027 1.753 -3.460 1.00 52.13 H new ATOM 0 HB3 LEU A 29 -17.006 0.047 -3.060 1.00 52.13 H new ATOM 0 HG LEU A 29 -17.340 1.114 -5.852 1.00 43.13 H new ATOM 0 HD11 LEU A 29 -14.975 0.499 -6.176 1.00 31.44 H new ATOM 0 HD12 LEU A 29 -15.172 1.783 -4.960 1.00 31.44 H new ATOM 0 HD13 LEU A 29 -14.851 0.110 -4.443 1.00 31.44 H new ATOM 0 HD21 LEU A 29 -16.680 -1.137 -6.504 1.00 23.11 H new ATOM 0 HD22 LEU A 29 -16.633 -1.608 -4.788 1.00 23.11 H new ATOM 0 HD23 LEU A 29 -18.173 -1.122 -5.536 1.00 23.11 H new ATOM 407 N ASP A 30 -19.998 -1.383 -4.068 1.00 11.25 N ATOM 408 CA ASP A 30 -20.507 -2.743 -3.730 1.00 21.43 C ATOM 409 C ASP A 30 -19.371 -3.787 -3.661 1.00 33.53 C ATOM 410 O ASP A 30 -18.317 -3.607 -4.270 1.00 23.41 O ATOM 411 CB ASP A 30 -21.591 -3.211 -4.735 1.00 11.24 C ATOM 412 CG ASP A 30 -22.052 -4.650 -4.475 1.00 11.11 C ATOM 413 OD1 ASP A 30 -22.918 -4.859 -3.604 1.00 14.32 O ATOM 414 OD2 ASP A 30 -21.489 -5.580 -5.094 1.00 63.41 O ATOM 0 H ASP A 30 -20.115 -1.124 -5.048 1.00 11.25 H new ATOM 0 HA ASP A 30 -20.957 -2.665 -2.740 1.00 21.43 H new ATOM 0 HB2 ASP A 30 -22.449 -2.542 -4.676 1.00 11.24 H new ATOM 0 HB3 ASP A 30 -21.198 -3.137 -5.749 1.00 11.24 H new ATOM 419 N LYS A 31 -19.615 -4.881 -2.928 1.00 33.41 N ATOM 420 CA LYS A 31 -18.681 -5.995 -2.745 1.00 71.13 C ATOM 421 C LYS A 31 -18.110 -6.497 -4.078 1.00 35.25 C ATOM 422 O LYS A 31 -16.866 -6.658 -4.220 1.00 74.12 O ATOM 423 CB LYS A 31 -19.406 -7.182 -2.068 1.00 0.53 C ATOM 424 CG LYS A 31 -18.495 -8.377 -1.783 1.00 53.25 C ATOM 425 CD LYS A 31 -19.250 -9.583 -1.240 1.00 30.31 C ATOM 426 CE LYS A 31 -18.294 -10.739 -0.887 1.00 34.45 C ATOM 427 NZ LYS A 31 -17.493 -11.206 -2.046 1.00 24.01 N ATOM 0 H LYS A 31 -20.495 -5.018 -2.431 1.00 33.41 H new ATOM 0 HA LYS A 31 -17.864 -5.623 -2.126 1.00 71.13 H new ATOM 0 HB2 LYS A 31 -19.847 -6.841 -1.131 1.00 0.53 H new ATOM 0 HB3 LYS A 31 -20.227 -7.507 -2.707 1.00 0.53 H new ATOM 0 HG2 LYS A 31 -17.979 -8.661 -2.700 1.00 53.25 H new ATOM 0 HG3 LYS A 31 -17.730 -8.081 -1.066 1.00 53.25 H new ATOM 0 HD2 LYS A 31 -19.813 -9.292 -0.353 1.00 30.31 H new ATOM 0 HD3 LYS A 31 -19.975 -9.923 -1.980 1.00 30.31 H new ATOM 0 HE2 LYS A 31 -17.620 -10.416 -0.094 1.00 34.45 H new ATOM 0 HE3 LYS A 31 -18.873 -11.574 -0.493 1.00 34.45 H new ATOM 0 HZ1 LYS A 31 -16.920 -12.027 -1.764 1.00 24.01 H new ATOM 0 HZ2 LYS A 31 -18.130 -11.479 -2.821 1.00 24.01 H new ATOM 0 HZ3 LYS A 31 -16.866 -10.440 -2.366 1.00 24.01 H new ATOM 441 N LEU A 32 -19.000 -6.710 -5.043 1.00 52.13 N ATOM 442 CA LEU A 32 -18.656 -7.331 -6.312 1.00 63.53 C ATOM 443 C LEU A 32 -17.638 -6.529 -7.076 1.00 50.43 C ATOM 444 O LEU A 32 -16.674 -7.081 -7.596 1.00 71.03 O ATOM 445 CB LEU A 32 -19.902 -7.572 -7.173 1.00 22.24 C ATOM 446 CG LEU A 32 -20.976 -8.492 -6.572 1.00 42.14 C ATOM 447 CD1 LEU A 32 -22.159 -8.610 -7.516 1.00 34.34 C ATOM 448 CD2 LEU A 32 -20.402 -9.872 -6.262 1.00 12.33 C ATOM 0 H LEU A 32 -19.984 -6.454 -4.963 1.00 52.13 H new ATOM 0 HA LEU A 32 -18.208 -8.296 -6.076 1.00 63.53 H new ATOM 0 HB2 LEU A 32 -20.360 -6.607 -7.390 1.00 22.24 H new ATOM 0 HB3 LEU A 32 -19.583 -7.995 -8.126 1.00 22.24 H new ATOM 0 HG LEU A 32 -21.318 -8.049 -5.636 1.00 42.14 H new ATOM 0 HD11 LEU A 32 -22.911 -9.265 -7.076 1.00 34.34 H new ATOM 0 HD12 LEU A 32 -22.590 -7.623 -7.684 1.00 34.34 H new ATOM 0 HD13 LEU A 32 -21.826 -9.027 -8.466 1.00 34.34 H new ATOM 0 HD21 LEU A 32 -21.182 -10.504 -5.838 1.00 12.33 H new ATOM 0 HD22 LEU A 32 -20.028 -10.325 -7.180 1.00 12.33 H new ATOM 0 HD23 LEU A 32 -19.585 -9.774 -5.547 1.00 12.33 H new ATOM 460 N GLU A 33 -17.813 -5.241 -7.123 1.00 60.33 N ATOM 461 CA GLU A 33 -16.874 -4.434 -7.844 1.00 20.15 C ATOM 462 C GLU A 33 -15.726 -3.935 -6.993 1.00 71.15 C ATOM 463 O GLU A 33 -14.655 -3.598 -7.509 1.00 3.10 O ATOM 464 CB GLU A 33 -17.534 -3.373 -8.694 1.00 22.15 C ATOM 465 CG GLU A 33 -18.335 -3.983 -9.838 1.00 74.33 C ATOM 466 CD GLU A 33 -17.551 -5.093 -10.542 1.00 54.05 C ATOM 467 OE1 GLU A 33 -16.560 -4.801 -11.239 1.00 61.20 O ATOM 468 OE2 GLU A 33 -17.900 -6.284 -10.364 1.00 51.12 O ATOM 0 H GLU A 33 -18.580 -4.735 -6.681 1.00 60.33 H new ATOM 0 HA GLU A 33 -16.398 -5.102 -8.562 1.00 20.15 H new ATOM 0 HB2 GLU A 33 -18.192 -2.766 -8.072 1.00 22.15 H new ATOM 0 HB3 GLU A 33 -16.773 -2.706 -9.098 1.00 22.15 H new ATOM 0 HG2 GLU A 33 -19.272 -4.386 -9.453 1.00 74.33 H new ATOM 0 HG3 GLU A 33 -18.593 -3.206 -10.557 1.00 74.33 H new ATOM 475 N PHE A 34 -15.907 -3.937 -5.677 1.00 2.24 N ATOM 476 CA PHE A 34 -14.814 -3.597 -4.769 1.00 51.22 C ATOM 477 C PHE A 34 -13.742 -4.688 -4.915 1.00 42.53 C ATOM 478 O PHE A 34 -12.532 -4.446 -4.761 1.00 4.55 O ATOM 479 CB PHE A 34 -15.335 -3.443 -3.320 1.00 43.24 C ATOM 480 CG PHE A 34 -14.354 -2.868 -2.352 1.00 71.12 C ATOM 481 CD1 PHE A 34 -13.795 -1.645 -2.605 1.00 43.44 C ATOM 482 CD2 PHE A 34 -14.034 -3.521 -1.174 1.00 12.51 C ATOM 483 CE1 PHE A 34 -12.931 -1.058 -1.727 1.00 72.41 C ATOM 484 CE2 PHE A 34 -13.154 -2.946 -0.272 1.00 13.14 C ATOM 485 CZ PHE A 34 -12.600 -1.706 -0.547 1.00 54.11 C ATOM 0 H PHE A 34 -16.788 -4.167 -5.218 1.00 2.24 H new ATOM 0 HA PHE A 34 -14.372 -2.633 -5.020 1.00 51.22 H new ATOM 0 HB2 PHE A 34 -16.222 -2.809 -3.335 1.00 43.24 H new ATOM 0 HB3 PHE A 34 -15.649 -4.422 -2.957 1.00 43.24 H new ATOM 0 HD1 PHE A 34 -14.044 -1.132 -3.522 1.00 43.44 H new ATOM 0 HD2 PHE A 34 -14.473 -4.484 -0.957 1.00 12.51 H new ATOM 0 HE1 PHE A 34 -12.506 -0.091 -1.951 1.00 72.41 H new ATOM 0 HE2 PHE A 34 -12.901 -3.462 0.642 1.00 13.14 H new ATOM 0 HZ PHE A 34 -11.916 -1.248 0.152 1.00 54.11 H new ATOM 495 N ARG A 35 -14.224 -5.871 -5.287 1.00 51.30 N ATOM 496 CA ARG A 35 -13.406 -6.994 -5.713 1.00 50.50 C ATOM 497 C ARG A 35 -12.495 -6.564 -6.881 1.00 11.11 C ATOM 498 O ARG A 35 -11.300 -6.808 -6.854 1.00 3.25 O ATOM 499 CB ARG A 35 -14.371 -8.156 -6.099 1.00 72.14 C ATOM 500 CG ARG A 35 -13.819 -9.394 -6.834 1.00 21.31 C ATOM 501 CD ARG A 35 -13.649 -9.180 -8.349 1.00 54.23 C ATOM 502 NE ARG A 35 -14.891 -8.694 -9.013 1.00 41.43 N ATOM 503 CZ ARG A 35 -15.247 -8.951 -10.288 1.00 22.41 C ATOM 504 NH1 ARG A 35 -14.650 -9.943 -10.973 1.00 41.34 N ATOM 505 NH2 ARG A 35 -16.241 -8.261 -10.859 1.00 55.12 N ATOM 0 H ARG A 35 -15.223 -6.077 -5.299 1.00 51.30 H new ATOM 0 HA ARG A 35 -12.745 -7.336 -4.917 1.00 50.50 H new ATOM 0 HB2 ARG A 35 -14.843 -8.506 -5.181 1.00 72.14 H new ATOM 0 HB3 ARG A 35 -15.159 -7.732 -6.721 1.00 72.14 H new ATOM 0 HG2 ARG A 35 -12.855 -9.664 -6.402 1.00 21.31 H new ATOM 0 HG3 ARG A 35 -14.490 -10.236 -6.667 1.00 21.31 H new ATOM 0 HD2 ARG A 35 -12.847 -8.462 -8.521 1.00 54.23 H new ATOM 0 HD3 ARG A 35 -13.341 -10.118 -8.810 1.00 54.23 H new ATOM 0 HE ARG A 35 -15.524 -8.119 -8.457 1.00 41.43 H new ATOM 0 HH11 ARG A 35 -13.924 -10.505 -10.528 1.00 41.34 H new ATOM 0 HH12 ARG A 35 -14.923 -10.133 -11.937 1.00 41.34 H new ATOM 0 HH21 ARG A 35 -16.731 -7.539 -10.330 1.00 55.12 H new ATOM 0 HH22 ARG A 35 -16.509 -8.457 -11.824 1.00 55.12 H new ATOM 519 N SER A 36 -13.060 -5.857 -7.854 1.00 20.25 N ATOM 520 CA SER A 36 -12.324 -5.446 -9.034 1.00 1.54 C ATOM 521 C SER A 36 -11.317 -4.357 -8.662 1.00 55.12 C ATOM 522 O SER A 36 -10.184 -4.331 -9.163 1.00 62.21 O ATOM 523 CB SER A 36 -13.310 -4.929 -10.085 1.00 40.44 C ATOM 524 OG SER A 36 -14.336 -5.876 -10.292 1.00 44.33 O ATOM 0 H SER A 36 -14.035 -5.557 -7.843 1.00 20.25 H new ATOM 0 HA SER A 36 -11.778 -6.295 -9.445 1.00 1.54 H new ATOM 0 HB2 SER A 36 -13.739 -3.982 -9.758 1.00 40.44 H new ATOM 0 HB3 SER A 36 -12.787 -4.736 -11.022 1.00 40.44 H new ATOM 0 HG SER A 36 -15.079 -5.454 -10.771 1.00 44.33 H new ATOM 530 N CYS A 37 -11.733 -3.492 -7.754 1.00 45.42 N ATOM 531 CA CYS A 37 -10.925 -2.386 -7.279 1.00 34.11 C ATOM 532 C CYS A 37 -9.619 -2.890 -6.637 1.00 24.34 C ATOM 533 O CYS A 37 -8.511 -2.532 -7.076 1.00 41.41 O ATOM 534 CB CYS A 37 -11.747 -1.543 -6.285 1.00 13.21 C ATOM 535 SG CYS A 37 -10.945 -0.035 -5.707 1.00 52.52 S ATOM 0 H CYS A 37 -12.655 -3.540 -7.321 1.00 45.42 H new ATOM 0 HA CYS A 37 -10.645 -1.760 -8.126 1.00 34.11 H new ATOM 0 HB2 CYS A 37 -12.692 -1.274 -6.757 1.00 13.21 H new ATOM 0 HB3 CYS A 37 -11.987 -2.162 -5.420 1.00 13.21 H new ATOM 0 HG CYS A 37 -10.929 0.843 -6.666 1.00 52.52 H new ATOM 541 N LEU A 38 -9.738 -3.774 -5.655 1.00 52.24 N ATOM 542 CA LEU A 38 -8.559 -4.273 -4.940 1.00 62.22 C ATOM 543 C LEU A 38 -7.682 -5.196 -5.792 1.00 30.44 C ATOM 544 O LEU A 38 -6.495 -5.378 -5.492 1.00 51.21 O ATOM 545 CB LEU A 38 -8.910 -4.914 -3.583 1.00 4.40 C ATOM 546 CG LEU A 38 -9.181 -3.974 -2.395 1.00 73.15 C ATOM 547 CD1 LEU A 38 -10.305 -3.025 -2.681 1.00 53.00 C ATOM 548 CD2 LEU A 38 -9.489 -4.778 -1.141 1.00 61.02 C ATOM 0 H LEU A 38 -10.626 -4.160 -5.334 1.00 52.24 H new ATOM 0 HA LEU A 38 -7.960 -3.388 -4.727 1.00 62.22 H new ATOM 0 HB2 LEU A 38 -9.793 -5.537 -3.725 1.00 4.40 H new ATOM 0 HB3 LEU A 38 -8.092 -5.579 -3.305 1.00 4.40 H new ATOM 0 HG LEU A 38 -8.278 -3.385 -2.234 1.00 73.15 H new ATOM 0 HD11 LEU A 38 -10.464 -2.379 -1.818 1.00 53.00 H new ATOM 0 HD12 LEU A 38 -10.054 -2.415 -3.549 1.00 53.00 H new ATOM 0 HD13 LEU A 38 -11.215 -3.590 -2.885 1.00 53.00 H new ATOM 0 HD21 LEU A 38 -9.678 -4.098 -0.310 1.00 61.02 H new ATOM 0 HD22 LEU A 38 -10.370 -5.396 -1.312 1.00 61.02 H new ATOM 0 HD23 LEU A 38 -8.639 -5.417 -0.901 1.00 61.02 H new ATOM 560 N SER A 39 -8.246 -5.800 -6.819 1.00 75.01 N ATOM 561 CA SER A 39 -7.440 -6.586 -7.732 1.00 70.03 C ATOM 562 C SER A 39 -6.622 -5.654 -8.624 1.00 72.53 C ATOM 563 O SER A 39 -5.429 -5.844 -8.805 1.00 60.34 O ATOM 564 CB SER A 39 -8.310 -7.512 -8.582 1.00 74.13 C ATOM 565 OG SER A 39 -9.045 -8.411 -7.775 1.00 24.21 O ATOM 0 H SER A 39 -9.241 -5.764 -7.040 1.00 75.01 H new ATOM 0 HA SER A 39 -6.765 -7.212 -7.148 1.00 70.03 H new ATOM 0 HB2 SER A 39 -8.996 -6.917 -9.185 1.00 74.13 H new ATOM 0 HB3 SER A 39 -7.681 -8.072 -9.274 1.00 74.13 H new ATOM 0 HG SER A 39 -9.842 -7.960 -7.426 1.00 24.21 H new ATOM 571 N SER A 40 -7.262 -4.600 -9.110 1.00 32.40 N ATOM 572 CA SER A 40 -6.614 -3.648 -9.995 1.00 43.34 C ATOM 573 C SER A 40 -5.552 -2.827 -9.252 1.00 52.42 C ATOM 574 O SER A 40 -4.589 -2.363 -9.846 1.00 52.33 O ATOM 575 CB SER A 40 -7.656 -2.741 -10.627 1.00 33.43 C ATOM 576 OG SER A 40 -8.660 -3.515 -11.275 1.00 2.23 O ATOM 0 H SER A 40 -8.237 -4.383 -8.903 1.00 32.40 H new ATOM 0 HA SER A 40 -6.103 -4.202 -10.782 1.00 43.34 H new ATOM 0 HB2 SER A 40 -8.111 -2.111 -9.863 1.00 33.43 H new ATOM 0 HB3 SER A 40 -7.180 -2.076 -11.347 1.00 33.43 H new ATOM 0 HG SER A 40 -9.214 -3.962 -10.601 1.00 2.23 H new ATOM 582 N MET A 41 -5.738 -2.653 -7.948 1.00 4.33 N ATOM 583 CA MET A 41 -4.740 -1.959 -7.138 1.00 0.01 C ATOM 584 C MET A 41 -3.623 -2.901 -6.693 1.00 4.21 C ATOM 585 O MET A 41 -2.701 -2.485 -6.006 1.00 24.03 O ATOM 586 CB MET A 41 -5.364 -1.254 -5.923 1.00 62.32 C ATOM 587 CG MET A 41 -6.280 -0.090 -6.278 1.00 43.05 C ATOM 588 SD MET A 41 -6.869 0.818 -4.830 1.00 12.03 S ATOM 589 CE MET A 41 -7.786 -0.446 -3.956 1.00 4.03 C ATOM 0 H MET A 41 -6.557 -2.977 -7.434 1.00 4.33 H new ATOM 0 HA MET A 41 -4.306 -1.191 -7.778 1.00 0.01 H new ATOM 0 HB2 MET A 41 -5.931 -1.984 -5.345 1.00 62.32 H new ATOM 0 HB3 MET A 41 -4.564 -0.889 -5.279 1.00 62.32 H new ATOM 0 HG2 MET A 41 -5.747 0.596 -6.937 1.00 43.05 H new ATOM 0 HG3 MET A 41 -7.137 -0.467 -6.836 1.00 43.05 H new ATOM 0 HE1 MET A 41 -8.469 0.024 -3.249 1.00 4.03 H new ATOM 0 HE2 MET A 41 -8.355 -1.042 -4.670 1.00 4.03 H new ATOM 0 HE3 MET A 41 -7.093 -1.091 -3.416 1.00 4.03 H new ATOM 599 N GLY A 42 -3.720 -4.168 -7.092 1.00 15.35 N ATOM 600 CA GLY A 42 -2.699 -5.149 -6.767 1.00 55.30 C ATOM 601 C GLY A 42 -2.671 -5.507 -5.300 1.00 24.22 C ATOM 602 O GLY A 42 -1.614 -5.765 -4.741 1.00 64.13 O ATOM 0 H GLY A 42 -4.498 -4.535 -7.641 1.00 15.35 H new ATOM 0 HA2 GLY A 42 -2.871 -6.052 -7.353 1.00 55.30 H new ATOM 0 HA3 GLY A 42 -1.723 -4.761 -7.059 1.00 55.30 H new ATOM 606 N LEU A 43 -3.826 -5.525 -4.679 1.00 33.32 N ATOM 607 CA LEU A 43 -3.910 -5.845 -3.272 1.00 2.54 C ATOM 608 C LEU A 43 -4.322 -7.291 -3.145 1.00 30.53 C ATOM 609 O LEU A 43 -3.727 -8.062 -2.402 1.00 71.41 O ATOM 610 CB LEU A 43 -4.969 -4.952 -2.595 1.00 0.52 C ATOM 611 CG LEU A 43 -4.797 -4.654 -1.080 1.00 25.43 C ATOM 612 CD1 LEU A 43 -5.788 -3.597 -0.637 1.00 52.15 C ATOM 613 CD2 LEU A 43 -4.972 -5.903 -0.221 1.00 72.22 C ATOM 0 H LEU A 43 -4.721 -5.322 -5.124 1.00 33.32 H new ATOM 0 HA LEU A 43 -2.947 -5.676 -2.791 1.00 2.54 H new ATOM 0 HB2 LEU A 43 -4.993 -3.999 -3.124 1.00 0.52 H new ATOM 0 HB3 LEU A 43 -5.943 -5.420 -2.737 1.00 0.52 H new ATOM 0 HG LEU A 43 -3.778 -4.292 -0.941 1.00 25.43 H new ATOM 0 HD11 LEU A 43 -5.656 -3.398 0.427 1.00 52.15 H new ATOM 0 HD12 LEU A 43 -5.619 -2.680 -1.202 1.00 52.15 H new ATOM 0 HD13 LEU A 43 -6.803 -3.952 -0.817 1.00 52.15 H new ATOM 0 HD21 LEU A 43 -4.842 -5.643 0.830 1.00 72.22 H new ATOM 0 HD22 LEU A 43 -5.971 -6.312 -0.373 1.00 72.22 H new ATOM 0 HD23 LEU A 43 -4.228 -6.647 -0.505 1.00 72.22 H new ATOM 625 N ILE A 44 -5.346 -7.652 -3.879 1.00 14.03 N ATOM 626 CA ILE A 44 -5.888 -8.983 -3.791 1.00 74.34 C ATOM 627 C ILE A 44 -5.762 -9.680 -5.134 1.00 50.13 C ATOM 628 O ILE A 44 -5.916 -9.041 -6.188 1.00 54.21 O ATOM 629 CB ILE A 44 -7.380 -8.956 -3.337 1.00 63.34 C ATOM 630 CG1 ILE A 44 -8.266 -8.256 -4.386 1.00 54.33 C ATOM 631 CG2 ILE A 44 -7.509 -8.289 -1.969 1.00 32.32 C ATOM 632 CD1 ILE A 44 -9.738 -8.174 -4.036 1.00 22.32 C ATOM 0 H ILE A 44 -5.820 -7.041 -4.544 1.00 14.03 H new ATOM 0 HA ILE A 44 -5.320 -9.535 -3.042 1.00 74.34 H new ATOM 0 HB ILE A 44 -7.730 -9.984 -3.247 1.00 63.34 H new ATOM 0 HG12 ILE A 44 -7.889 -7.245 -4.540 1.00 54.33 H new ATOM 0 HG13 ILE A 44 -8.163 -8.783 -5.335 1.00 54.33 H new ATOM 0 HG21 ILE A 44 -8.556 -8.278 -1.667 1.00 32.32 H new ATOM 0 HG22 ILE A 44 -6.925 -8.846 -1.236 1.00 32.32 H new ATOM 0 HG23 ILE A 44 -7.137 -7.266 -2.027 1.00 32.32 H new ATOM 0 HD11 ILE A 44 -10.275 -7.665 -4.837 1.00 22.32 H new ATOM 0 HD12 ILE A 44 -10.139 -9.180 -3.913 1.00 22.32 H new ATOM 0 HD13 ILE A 44 -9.861 -7.618 -3.106 1.00 22.32 H new ATOM 644 N ASP A 45 -5.472 -10.954 -5.113 1.00 4.13 N ATOM 645 CA ASP A 45 -5.321 -11.709 -6.337 1.00 0.02 C ATOM 646 C ASP A 45 -6.645 -12.376 -6.722 1.00 41.40 C ATOM 647 O ASP A 45 -6.801 -13.585 -6.761 1.00 14.40 O ATOM 648 CB ASP A 45 -4.212 -12.780 -6.113 1.00 12.23 C ATOM 649 CG ASP A 45 -4.463 -13.676 -4.873 1.00 40.41 C ATOM 650 OD1 ASP A 45 -4.633 -13.114 -3.736 1.00 43.35 O ATOM 651 OD2 ASP A 45 -4.452 -14.910 -4.994 1.00 2.43 O ATOM 0 H ASP A 45 -5.334 -11.496 -4.260 1.00 4.13 H new ATOM 0 HA ASP A 45 -5.037 -11.045 -7.154 1.00 0.02 H new ATOM 0 HB2 ASP A 45 -4.142 -13.410 -6.999 1.00 12.23 H new ATOM 0 HB3 ASP A 45 -3.251 -12.279 -6.001 1.00 12.23 H new ATOM 656 N ILE A 46 -7.555 -11.595 -7.194 1.00 53.14 N ATOM 657 CA ILE A 46 -8.803 -12.169 -7.595 1.00 73.51 C ATOM 658 C ILE A 46 -8.808 -12.201 -9.075 1.00 24.30 C ATOM 659 O ILE A 46 -9.583 -11.502 -9.752 1.00 5.55 O ATOM 660 CB ILE A 46 -10.063 -11.450 -7.034 1.00 52.11 C ATOM 661 CG1 ILE A 46 -9.962 -11.271 -5.518 1.00 15.44 C ATOM 662 CG2 ILE A 46 -11.340 -12.238 -7.369 1.00 53.42 C ATOM 663 CD1 ILE A 46 -9.862 -12.555 -4.721 1.00 21.31 C ATOM 0 H ILE A 46 -7.469 -10.585 -7.312 1.00 53.14 H new ATOM 0 HA ILE A 46 -8.873 -13.170 -7.168 1.00 73.51 H new ATOM 0 HB ILE A 46 -10.115 -10.469 -7.506 1.00 52.11 H new ATOM 0 HG12 ILE A 46 -9.088 -10.657 -5.298 1.00 15.44 H new ATOM 0 HG13 ILE A 46 -10.836 -10.717 -5.175 1.00 15.44 H new ATOM 0 HG21 ILE A 46 -12.207 -11.714 -6.966 1.00 53.42 H new ATOM 0 HG22 ILE A 46 -11.440 -12.326 -8.451 1.00 53.42 H new ATOM 0 HG23 ILE A 46 -11.280 -13.233 -6.928 1.00 53.42 H new ATOM 0 HD11 ILE A 46 -9.795 -12.320 -3.659 1.00 21.31 H new ATOM 0 HD12 ILE A 46 -10.747 -13.166 -4.902 1.00 21.31 H new ATOM 0 HD13 ILE A 46 -8.972 -13.105 -5.028 1.00 21.31 H new ATOM 675 N ASP A 47 -7.835 -12.909 -9.562 1.00 53.14 N ATOM 676 CA ASP A 47 -7.654 -13.109 -11.009 1.00 21.24 C ATOM 677 C ASP A 47 -8.817 -13.889 -11.542 1.00 51.44 C ATOM 678 O ASP A 47 -9.410 -13.560 -12.571 1.00 52.34 O ATOM 679 CB ASP A 47 -6.341 -13.839 -11.315 1.00 32.15 C ATOM 680 CG ASP A 47 -5.121 -12.998 -11.018 1.00 75.00 C ATOM 681 OD1 ASP A 47 -4.818 -12.796 -9.828 1.00 15.10 O ATOM 682 OD2 ASP A 47 -4.465 -12.548 -11.976 1.00 40.44 O ATOM 0 H ASP A 47 -7.132 -13.374 -8.987 1.00 53.14 H new ATOM 0 HA ASP A 47 -7.606 -12.134 -11.494 1.00 21.24 H new ATOM 0 HB2 ASP A 47 -6.296 -14.757 -10.729 1.00 32.15 H new ATOM 0 HB3 ASP A 47 -6.329 -14.131 -12.365 1.00 32.15 H new ATOM 687 N PHE A 48 -9.167 -14.904 -10.818 1.00 62.12 N ATOM 688 CA PHE A 48 -10.305 -15.699 -11.131 1.00 55.22 C ATOM 689 C PHE A 48 -11.373 -15.348 -10.130 1.00 64.45 C ATOM 690 O PHE A 48 -11.116 -15.326 -8.936 1.00 61.34 O ATOM 691 CB PHE A 48 -9.970 -17.194 -11.062 1.00 31.51 C ATOM 692 CG PHE A 48 -8.875 -17.619 -12.005 1.00 41.22 C ATOM 693 CD1 PHE A 48 -9.155 -17.888 -13.335 1.00 10.10 C ATOM 694 CD2 PHE A 48 -7.567 -17.748 -11.561 1.00 4.14 C ATOM 695 CE1 PHE A 48 -8.154 -18.276 -14.203 1.00 41.45 C ATOM 696 CE2 PHE A 48 -6.561 -18.135 -12.425 1.00 33.30 C ATOM 697 CZ PHE A 48 -6.854 -18.400 -13.749 1.00 15.44 C ATOM 0 H PHE A 48 -8.663 -15.205 -9.984 1.00 62.12 H new ATOM 0 HA PHE A 48 -10.642 -15.499 -12.148 1.00 55.22 H new ATOM 0 HB2 PHE A 48 -9.675 -17.443 -10.043 1.00 31.51 H new ATOM 0 HB3 PHE A 48 -10.870 -17.768 -11.283 1.00 31.51 H new ATOM 0 HD1 PHE A 48 -10.168 -17.793 -13.697 1.00 10.10 H new ATOM 0 HD2 PHE A 48 -7.332 -17.543 -10.527 1.00 4.14 H new ATOM 0 HE1 PHE A 48 -8.387 -18.483 -15.237 1.00 41.45 H new ATOM 0 HE2 PHE A 48 -5.547 -18.230 -12.066 1.00 33.30 H new ATOM 0 HZ PHE A 48 -6.070 -18.703 -14.427 1.00 15.44 H new ATOM 707 N THR A 49 -12.512 -14.938 -10.597 1.00 3.13 N ATOM 708 CA THR A 49 -13.575 -14.654 -9.691 1.00 34.54 C ATOM 709 C THR A 49 -14.578 -15.814 -9.685 1.00 23.03 C ATOM 710 O THR A 49 -15.402 -15.934 -10.594 1.00 3.25 O ATOM 711 CB THR A 49 -14.271 -13.330 -10.064 1.00 24.04 C ATOM 712 OG1 THR A 49 -13.256 -12.310 -10.259 1.00 75.31 O ATOM 713 CG2 THR A 49 -15.213 -12.883 -8.947 1.00 15.02 C ATOM 0 H THR A 49 -12.725 -14.795 -11.584 1.00 3.13 H new ATOM 0 HA THR A 49 -13.162 -14.543 -8.688 1.00 34.54 H new ATOM 0 HB THR A 49 -14.851 -13.478 -10.975 1.00 24.04 H new ATOM 0 HG1 THR A 49 -13.168 -12.115 -11.215 1.00 75.31 H new ATOM 0 HG21 THR A 49 -15.694 -11.947 -9.230 1.00 15.02 H new ATOM 0 HG22 THR A 49 -15.973 -13.647 -8.784 1.00 15.02 H new ATOM 0 HG23 THR A 49 -14.644 -12.736 -8.029 1.00 15.02 H new ATOM 721 N GLY A 50 -14.455 -16.678 -8.711 1.00 43.41 N ATOM 722 CA GLY A 50 -15.393 -17.755 -8.540 1.00 61.12 C ATOM 723 C GLY A 50 -15.396 -18.250 -7.115 1.00 43.44 C ATOM 724 O GLY A 50 -16.316 -17.969 -6.356 1.00 2.34 O ATOM 0 H GLY A 50 -13.707 -16.655 -8.018 1.00 43.41 H new ATOM 0 HA2 GLY A 50 -16.393 -17.418 -8.813 1.00 61.12 H new ATOM 0 HA3 GLY A 50 -15.138 -18.574 -9.212 1.00 61.12 H new ATOM 728 N GLY A 51 -14.356 -18.955 -6.744 1.00 62.13 N ATOM 729 CA GLY A 51 -14.247 -19.470 -5.389 1.00 41.34 C ATOM 730 C GLY A 51 -13.155 -18.751 -4.639 1.00 73.42 C ATOM 731 O GLY A 51 -13.074 -18.792 -3.409 1.00 71.42 O ATOM 0 H GLY A 51 -13.572 -19.188 -7.354 1.00 62.13 H new ATOM 0 HA2 GLY A 51 -15.197 -19.346 -4.869 1.00 41.34 H new ATOM 0 HA3 GLY A 51 -14.035 -20.539 -5.416 1.00 41.34 H new ATOM 735 N GLU A 52 -12.354 -18.049 -5.402 1.00 24.54 N ATOM 736 CA GLU A 52 -11.196 -17.310 -4.944 1.00 34.33 C ATOM 737 C GLU A 52 -11.643 -16.065 -4.199 1.00 43.13 C ATOM 738 O GLU A 52 -10.872 -15.450 -3.497 1.00 25.14 O ATOM 739 CB GLU A 52 -10.322 -16.881 -6.152 1.00 22.50 C ATOM 740 CG GLU A 52 -9.875 -18.005 -7.122 1.00 72.12 C ATOM 741 CD GLU A 52 -11.035 -18.684 -7.853 1.00 45.54 C ATOM 742 OE1 GLU A 52 -12.096 -18.024 -8.058 1.00 21.30 O ATOM 743 OE2 GLU A 52 -10.945 -19.868 -8.138 1.00 2.44 O ATOM 0 H GLU A 52 -12.496 -17.972 -6.409 1.00 24.54 H new ATOM 0 HA GLU A 52 -10.615 -17.952 -4.282 1.00 34.33 H new ATOM 0 HB2 GLU A 52 -10.875 -16.137 -6.725 1.00 22.50 H new ATOM 0 HB3 GLU A 52 -9.429 -16.388 -5.768 1.00 22.50 H new ATOM 0 HG2 GLU A 52 -9.189 -17.586 -7.858 1.00 72.12 H new ATOM 0 HG3 GLU A 52 -9.320 -18.757 -6.561 1.00 72.12 H new ATOM 750 N ASP A 53 -12.917 -15.732 -4.352 1.00 11.43 N ATOM 751 CA ASP A 53 -13.547 -14.547 -3.737 1.00 5.32 C ATOM 752 C ASP A 53 -13.283 -14.490 -2.223 1.00 74.22 C ATOM 753 O ASP A 53 -12.990 -13.421 -1.675 1.00 21.54 O ATOM 754 CB ASP A 53 -15.054 -14.567 -4.019 1.00 73.03 C ATOM 755 CG ASP A 53 -15.800 -13.388 -3.428 1.00 40.43 C ATOM 756 OD1 ASP A 53 -16.239 -13.470 -2.281 1.00 2.34 O ATOM 757 OD2 ASP A 53 -15.981 -12.367 -4.120 1.00 31.53 O ATOM 0 H ASP A 53 -13.564 -16.282 -4.917 1.00 11.43 H new ATOM 0 HA ASP A 53 -13.106 -13.653 -4.178 1.00 5.32 H new ATOM 0 HB2 ASP A 53 -15.213 -14.582 -5.097 1.00 73.03 H new ATOM 0 HB3 ASP A 53 -15.477 -15.490 -3.621 1.00 73.03 H new ATOM 762 N ALA A 54 -13.276 -15.678 -1.592 1.00 14.13 N ATOM 763 CA ALA A 54 -13.062 -15.839 -0.142 1.00 65.25 C ATOM 764 C ALA A 54 -11.750 -15.184 0.333 1.00 35.43 C ATOM 765 O ALA A 54 -11.662 -14.701 1.488 1.00 54.14 O ATOM 766 CB ALA A 54 -13.075 -17.316 0.223 1.00 63.44 C ATOM 0 H ALA A 54 -13.420 -16.562 -2.079 1.00 14.13 H new ATOM 0 HA ALA A 54 -13.879 -15.328 0.368 1.00 65.25 H new ATOM 0 HB1 ALA A 54 -12.916 -17.427 1.296 1.00 63.44 H new ATOM 0 HB2 ALA A 54 -14.038 -17.749 -0.048 1.00 63.44 H new ATOM 0 HB3 ALA A 54 -12.280 -17.831 -0.317 1.00 63.44 H new ATOM 772 N GLN A 55 -10.759 -15.142 -0.583 1.00 53.13 N ATOM 773 CA GLN A 55 -9.441 -14.537 -0.352 1.00 4.13 C ATOM 774 C GLN A 55 -9.635 -13.136 0.183 1.00 1.12 C ATOM 775 O GLN A 55 -9.189 -12.802 1.281 1.00 54.02 O ATOM 776 CB GLN A 55 -8.687 -14.476 -1.696 1.00 32.05 C ATOM 777 CG GLN A 55 -7.287 -13.867 -1.702 1.00 1.12 C ATOM 778 CD GLN A 55 -6.236 -14.723 -1.023 1.00 21.30 C ATOM 779 OE1 GLN A 55 -6.508 -15.446 -0.062 1.00 40.51 O ATOM 780 NE2 GLN A 55 -5.047 -14.697 -1.558 1.00 45.13 N ATOM 0 H GLN A 55 -10.860 -15.536 -1.518 1.00 53.13 H new ATOM 0 HA GLN A 55 -8.870 -15.126 0.366 1.00 4.13 H new ATOM 0 HB2 GLN A 55 -8.612 -15.492 -2.084 1.00 32.05 H new ATOM 0 HB3 GLN A 55 -9.300 -13.912 -2.398 1.00 32.05 H new ATOM 0 HG2 GLN A 55 -6.984 -13.690 -2.734 1.00 1.12 H new ATOM 0 HG3 GLN A 55 -7.323 -12.896 -1.209 1.00 1.12 H new ATOM 0 HE21 GLN A 55 -4.859 -14.086 -2.353 1.00 45.13 H new ATOM 0 HE22 GLN A 55 -4.305 -15.288 -1.182 1.00 45.13 H new ATOM 789 N TYR A 56 -10.321 -12.311 -0.583 1.00 52.12 N ATOM 790 CA TYR A 56 -10.575 -10.993 -0.121 1.00 3.54 C ATOM 791 C TYR A 56 -11.749 -10.954 0.795 1.00 64.41 C ATOM 792 O TYR A 56 -11.893 -10.001 1.504 1.00 13.45 O ATOM 793 CB TYR A 56 -10.748 -9.956 -1.221 1.00 34.32 C ATOM 794 CG TYR A 56 -12.159 -9.767 -1.737 1.00 23.23 C ATOM 795 CD1 TYR A 56 -13.078 -8.943 -1.053 1.00 33.30 C ATOM 796 CD2 TYR A 56 -12.565 -10.365 -2.900 1.00 3.32 C ATOM 797 CE1 TYR A 56 -14.333 -8.751 -1.539 1.00 33.10 C ATOM 798 CE2 TYR A 56 -13.819 -10.163 -3.389 1.00 1.31 C ATOM 799 CZ TYR A 56 -14.701 -9.355 -2.712 1.00 73.20 C ATOM 800 OH TYR A 56 -15.961 -9.147 -3.219 1.00 41.31 O ATOM 0 H TYR A 56 -10.698 -12.537 -1.504 1.00 52.12 H new ATOM 0 HA TYR A 56 -9.671 -10.717 0.421 1.00 3.54 H new ATOM 0 HB2 TYR A 56 -10.386 -8.997 -0.850 1.00 34.32 H new ATOM 0 HB3 TYR A 56 -10.110 -10.234 -2.059 1.00 34.32 H new ATOM 0 HD1 TYR A 56 -12.781 -8.460 -0.134 1.00 33.30 H new ATOM 0 HD2 TYR A 56 -11.881 -11.006 -3.437 1.00 3.32 H new ATOM 0 HE1 TYR A 56 -15.034 -8.127 -1.005 1.00 33.10 H new ATOM 0 HE2 TYR A 56 -14.121 -10.638 -4.310 1.00 1.31 H new ATOM 0 HH TYR A 56 -16.060 -8.206 -3.474 1.00 41.31 H new ATOM 810 N ASP A 57 -12.631 -11.944 0.728 1.00 42.44 N ATOM 811 CA ASP A 57 -13.849 -11.908 1.543 1.00 23.24 C ATOM 812 C ASP A 57 -13.503 -11.798 2.996 1.00 11.41 C ATOM 813 O ASP A 57 -14.093 -11.029 3.695 1.00 14.01 O ATOM 814 CB ASP A 57 -14.789 -13.075 1.294 1.00 12.35 C ATOM 815 CG ASP A 57 -16.115 -12.877 2.014 1.00 13.22 C ATOM 816 OD1 ASP A 57 -16.919 -12.018 1.557 1.00 50.42 O ATOM 817 OD2 ASP A 57 -16.344 -13.543 3.041 1.00 3.05 O ATOM 0 H ASP A 57 -12.534 -12.767 0.133 1.00 42.44 H new ATOM 0 HA ASP A 57 -14.397 -11.018 1.233 1.00 23.24 H new ATOM 0 HB2 ASP A 57 -14.966 -13.181 0.224 1.00 12.35 H new ATOM 0 HB3 ASP A 57 -14.323 -14.000 1.633 1.00 12.35 H new ATOM 822 N ALA A 58 -12.443 -12.490 3.414 1.00 1.45 N ATOM 823 CA ALA A 58 -11.936 -12.361 4.798 1.00 14.43 C ATOM 824 C ALA A 58 -11.490 -10.894 5.111 1.00 71.22 C ATOM 825 O ALA A 58 -11.486 -10.451 6.249 1.00 14.03 O ATOM 826 CB ALA A 58 -10.779 -13.324 5.019 1.00 22.04 C ATOM 0 H ALA A 58 -11.918 -13.140 2.829 1.00 1.45 H new ATOM 0 HA ALA A 58 -12.748 -12.612 5.480 1.00 14.43 H new ATOM 0 HB1 ALA A 58 -10.411 -13.223 6.040 1.00 22.04 H new ATOM 0 HB2 ALA A 58 -11.120 -14.346 4.856 1.00 22.04 H new ATOM 0 HB3 ALA A 58 -9.975 -13.094 4.320 1.00 22.04 H new ATOM 832 N ILE A 59 -11.148 -10.169 4.071 1.00 1.41 N ATOM 833 CA ILE A 59 -10.705 -8.775 4.141 1.00 23.02 C ATOM 834 C ILE A 59 -11.938 -7.830 4.074 1.00 14.15 C ATOM 835 O ILE A 59 -12.039 -6.808 4.803 1.00 14.30 O ATOM 836 CB ILE A 59 -9.748 -8.489 2.938 1.00 33.45 C ATOM 837 CG1 ILE A 59 -8.498 -9.395 3.021 1.00 52.41 C ATOM 838 CG2 ILE A 59 -9.371 -7.022 2.852 1.00 51.43 C ATOM 839 CD1 ILE A 59 -7.565 -9.302 1.822 1.00 1.14 C ATOM 0 H ILE A 59 -11.167 -10.534 3.119 1.00 1.41 H new ATOM 0 HA ILE A 59 -10.178 -8.599 5.079 1.00 23.02 H new ATOM 0 HB ILE A 59 -10.282 -8.727 2.018 1.00 33.45 H new ATOM 0 HG12 ILE A 59 -7.939 -9.138 3.920 1.00 52.41 H new ATOM 0 HG13 ILE A 59 -8.823 -10.430 3.132 1.00 52.41 H new ATOM 0 HG21 ILE A 59 -8.705 -6.867 2.003 1.00 51.43 H new ATOM 0 HG22 ILE A 59 -10.272 -6.422 2.722 1.00 51.43 H new ATOM 0 HG23 ILE A 59 -8.865 -6.722 3.770 1.00 51.43 H new ATOM 0 HD11 ILE A 59 -6.717 -9.971 1.968 1.00 1.14 H new ATOM 0 HD12 ILE A 59 -8.103 -9.590 0.919 1.00 1.14 H new ATOM 0 HD13 ILE A 59 -7.206 -8.278 1.719 1.00 1.14 H new ATOM 851 N TYR A 60 -12.883 -8.192 3.225 1.00 51.11 N ATOM 852 CA TYR A 60 -14.114 -7.446 3.068 1.00 23.22 C ATOM 853 C TYR A 60 -14.923 -7.613 4.321 1.00 60.54 C ATOM 854 O TYR A 60 -15.653 -6.741 4.731 1.00 52.30 O ATOM 855 CB TYR A 60 -14.896 -7.941 1.857 1.00 33.11 C ATOM 856 CG TYR A 60 -16.095 -7.098 1.522 1.00 4.23 C ATOM 857 CD1 TYR A 60 -15.930 -5.788 1.108 1.00 62.51 C ATOM 858 CD2 TYR A 60 -17.381 -7.604 1.602 1.00 32.22 C ATOM 859 CE1 TYR A 60 -17.004 -5.002 0.789 1.00 62.12 C ATOM 860 CE2 TYR A 60 -18.470 -6.816 1.284 1.00 73.15 C ATOM 861 CZ TYR A 60 -18.270 -5.513 0.882 1.00 50.23 C ATOM 862 OH TYR A 60 -19.337 -4.732 0.535 1.00 53.01 O ATOM 0 H TYR A 60 -12.816 -9.014 2.625 1.00 51.11 H new ATOM 0 HA TYR A 60 -13.890 -6.392 2.903 1.00 23.22 H new ATOM 0 HB2 TYR A 60 -14.231 -7.969 0.994 1.00 33.11 H new ATOM 0 HB3 TYR A 60 -15.223 -8.964 2.041 1.00 33.11 H new ATOM 0 HD1 TYR A 60 -14.934 -5.378 1.035 1.00 62.51 H new ATOM 0 HD2 TYR A 60 -17.534 -8.626 1.916 1.00 32.22 H new ATOM 0 HE1 TYR A 60 -16.853 -3.983 0.465 1.00 62.12 H new ATOM 0 HE2 TYR A 60 -19.470 -7.218 1.350 1.00 73.15 H new ATOM 0 HH TYR A 60 -20.112 -5.302 0.346 1.00 53.01 H new ATOM 872 N ASN A 61 -14.747 -8.743 4.898 1.00 43.20 N ATOM 873 CA ASN A 61 -15.347 -9.098 6.206 1.00 3.25 C ATOM 874 C ASN A 61 -14.799 -8.176 7.318 1.00 5.40 C ATOM 875 O ASN A 61 -15.487 -7.861 8.278 1.00 73.51 O ATOM 876 CB ASN A 61 -15.057 -10.572 6.544 1.00 21.54 C ATOM 877 CG ASN A 61 -15.784 -11.079 7.778 1.00 24.11 C ATOM 878 OD1 ASN A 61 -15.282 -11.012 8.892 1.00 64.40 O ATOM 879 ND2 ASN A 61 -16.959 -11.625 7.579 1.00 51.43 N ATOM 0 H ASN A 61 -14.177 -9.488 4.497 1.00 43.20 H new ATOM 0 HA ASN A 61 -16.426 -8.960 6.141 1.00 3.25 H new ATOM 0 HB2 ASN A 61 -15.336 -11.191 5.691 1.00 21.54 H new ATOM 0 HB3 ASN A 61 -13.984 -10.696 6.691 1.00 21.54 H new ATOM 0 HD21 ASN A 61 -17.482 -12.010 8.365 1.00 51.43 H new ATOM 0 HD22 ASN A 61 -17.350 -11.665 6.638 1.00 51.43 H new ATOM 886 N ASN A 62 -13.549 -7.739 7.157 1.00 45.41 N ATOM 887 CA ASN A 62 -12.929 -6.788 8.096 1.00 63.44 C ATOM 888 C ASN A 62 -13.583 -5.428 7.906 1.00 42.45 C ATOM 889 O ASN A 62 -13.974 -4.769 8.866 1.00 12.04 O ATOM 890 CB ASN A 62 -11.402 -6.677 7.847 1.00 11.15 C ATOM 891 CG ASN A 62 -10.657 -5.765 8.842 1.00 21.01 C ATOM 892 OD1 ASN A 62 -10.184 -6.230 9.876 1.00 72.34 O ATOM 893 ND2 ASN A 62 -10.515 -4.489 8.513 1.00 34.22 N ATOM 0 H ASN A 62 -12.943 -8.025 6.388 1.00 45.41 H new ATOM 0 HA ASN A 62 -13.077 -7.142 9.116 1.00 63.44 H new ATOM 0 HB2 ASN A 62 -10.966 -7.675 7.892 1.00 11.15 H new ATOM 0 HB3 ASN A 62 -11.238 -6.302 6.837 1.00 11.15 H new ATOM 0 HD21 ASN A 62 -9.999 -3.858 9.127 1.00 34.22 H new ATOM 0 HD22 ASN A 62 -10.922 -4.138 7.646 1.00 34.22 H new ATOM 900 N VAL A 63 -13.712 -5.012 6.641 1.00 42.35 N ATOM 901 CA VAL A 63 -14.381 -3.735 6.354 1.00 71.13 C ATOM 902 C VAL A 63 -15.904 -3.756 6.655 1.00 20.21 C ATOM 903 O VAL A 63 -16.382 -3.009 7.521 1.00 32.25 O ATOM 904 CB VAL A 63 -14.030 -3.121 4.941 1.00 54.55 C ATOM 905 CG1 VAL A 63 -14.003 -4.157 3.855 1.00 41.43 C ATOM 906 CG2 VAL A 63 -14.995 -2.013 4.549 1.00 25.22 C ATOM 0 H VAL A 63 -13.375 -5.520 5.823 1.00 42.35 H new ATOM 0 HA VAL A 63 -13.950 -3.035 7.070 1.00 71.13 H new ATOM 0 HB VAL A 63 -13.029 -2.703 5.045 1.00 54.55 H new ATOM 0 HG11 VAL A 63 -13.757 -3.682 2.905 1.00 41.43 H new ATOM 0 HG12 VAL A 63 -13.251 -4.910 4.089 1.00 41.43 H new ATOM 0 HG13 VAL A 63 -14.981 -4.632 3.781 1.00 41.43 H new ATOM 0 HG21 VAL A 63 -14.718 -1.618 3.571 1.00 25.22 H new ATOM 0 HG22 VAL A 63 -16.009 -2.412 4.505 1.00 25.22 H new ATOM 0 HG23 VAL A 63 -14.951 -1.214 5.289 1.00 25.22 H new ATOM 916 N THR A 64 -16.657 -4.572 5.969 1.00 41.31 N ATOM 917 CA THR A 64 -18.061 -4.677 6.240 1.00 65.41 C ATOM 918 C THR A 64 -18.303 -5.759 7.261 1.00 21.53 C ATOM 919 O THR A 64 -17.933 -6.903 7.068 1.00 70.31 O ATOM 920 CB THR A 64 -18.882 -4.876 4.976 1.00 35.32 C ATOM 921 OG1 THR A 64 -18.278 -5.893 4.185 1.00 53.42 O ATOM 922 CG2 THR A 64 -18.939 -3.575 4.193 1.00 32.24 C ATOM 0 H THR A 64 -16.320 -5.174 5.218 1.00 41.31 H new ATOM 0 HA THR A 64 -18.401 -3.730 6.659 1.00 65.41 H new ATOM 0 HB THR A 64 -19.897 -5.174 5.239 1.00 35.32 H new ATOM 0 HG1 THR A 64 -18.516 -5.760 3.244 1.00 53.42 H new ATOM 0 HG21 THR A 64 -19.528 -3.721 3.288 1.00 32.24 H new ATOM 0 HG22 THR A 64 -19.401 -2.801 4.806 1.00 32.24 H new ATOM 0 HG23 THR A 64 -17.929 -3.268 3.923 1.00 32.24 H new ATOM 930 N LYS A 65 -18.980 -5.388 8.294 1.00 21.23 N ATOM 931 CA LYS A 65 -19.104 -6.175 9.497 1.00 12.44 C ATOM 932 C LYS A 65 -20.502 -6.758 9.580 1.00 13.01 C ATOM 933 O LYS A 65 -20.899 -7.321 10.596 1.00 21.13 O ATOM 934 CB LYS A 65 -18.879 -5.221 10.666 1.00 53.53 C ATOM 935 CG LYS A 65 -17.571 -4.425 10.548 1.00 20.14 C ATOM 936 CD LYS A 65 -17.688 -3.032 11.168 1.00 33.23 C ATOM 937 CE LYS A 65 -18.711 -2.163 10.410 1.00 15.22 C ATOM 938 NZ LYS A 65 -18.327 -1.902 9.007 1.00 63.13 N ATOM 0 H LYS A 65 -19.483 -4.502 8.337 1.00 21.23 H new ATOM 0 HA LYS A 65 -18.386 -6.995 9.510 1.00 12.44 H new ATOM 0 HB2 LYS A 65 -19.716 -4.526 10.727 1.00 53.53 H new ATOM 0 HB3 LYS A 65 -18.869 -5.790 11.596 1.00 53.53 H new ATOM 0 HG2 LYS A 65 -16.768 -4.974 11.039 1.00 20.14 H new ATOM 0 HG3 LYS A 65 -17.297 -4.332 9.497 1.00 20.14 H new ATOM 0 HD2 LYS A 65 -17.987 -3.121 12.212 1.00 33.23 H new ATOM 0 HD3 LYS A 65 -16.714 -2.544 11.156 1.00 33.23 H new ATOM 0 HE2 LYS A 65 -19.682 -2.657 10.428 1.00 15.22 H new ATOM 0 HE3 LYS A 65 -18.827 -1.213 10.931 1.00 15.22 H new ATOM 0 HZ1 LYS A 65 -18.018 -0.914 8.910 1.00 63.13 H new ATOM 0 HZ2 LYS A 65 -17.548 -2.536 8.736 1.00 63.13 H new ATOM 0 HZ3 LYS A 65 -19.144 -2.072 8.386 1.00 63.13 H new ATOM 952 N GLY A 66 -21.240 -6.600 8.515 1.00 52.14 N ATOM 953 CA GLY A 66 -22.594 -7.069 8.469 1.00 2.31 C ATOM 954 C GLY A 66 -23.359 -6.367 7.392 1.00 3.44 C ATOM 955 O GLY A 66 -24.361 -6.871 6.896 1.00 70.22 O ATOM 0 H GLY A 66 -20.920 -6.145 7.660 1.00 52.14 H new ATOM 0 HA2 GLY A 66 -22.606 -8.144 8.289 1.00 2.31 H new ATOM 0 HA3 GLY A 66 -23.075 -6.901 9.433 1.00 2.31 H new ATOM 959 N GLU A 67 -22.891 -5.193 7.027 1.00 65.03 N ATOM 960 CA GLU A 67 -23.505 -4.449 5.974 1.00 30.24 C ATOM 961 C GLU A 67 -22.832 -4.797 4.653 1.00 53.34 C ATOM 962 O GLU A 67 -21.907 -5.605 4.608 1.00 65.13 O ATOM 963 CB GLU A 67 -23.426 -2.917 6.217 1.00 0.34 C ATOM 964 CG GLU A 67 -22.026 -2.278 6.118 1.00 33.11 C ATOM 965 CD GLU A 67 -21.126 -2.481 7.320 1.00 21.41 C ATOM 966 OE1 GLU A 67 -20.795 -3.620 7.661 1.00 2.22 O ATOM 967 OE2 GLU A 67 -20.673 -1.480 7.897 1.00 3.23 O ATOM 0 H GLU A 67 -22.082 -4.740 7.453 1.00 65.03 H new ATOM 0 HA GLU A 67 -24.560 -4.720 5.944 1.00 30.24 H new ATOM 0 HB2 GLU A 67 -24.079 -2.423 5.497 1.00 0.34 H new ATOM 0 HB3 GLU A 67 -23.828 -2.707 7.208 1.00 0.34 H new ATOM 0 HG2 GLU A 67 -21.524 -2.681 5.239 1.00 33.11 H new ATOM 0 HG3 GLU A 67 -22.146 -1.207 5.953 1.00 33.11 H new ATOM 974 N ASN A 68 -23.292 -4.190 3.601 1.00 50.22 N ATOM 975 CA ASN A 68 -22.704 -4.352 2.300 1.00 22.31 C ATOM 976 C ASN A 68 -22.458 -2.974 1.765 1.00 74.03 C ATOM 977 O ASN A 68 -23.342 -2.115 1.867 1.00 43.02 O ATOM 978 CB ASN A 68 -23.650 -5.099 1.335 1.00 30.44 C ATOM 979 CG ASN A 68 -23.023 -5.300 -0.048 1.00 22.04 C ATOM 980 OD1 ASN A 68 -21.820 -5.505 -0.164 1.00 4.54 O ATOM 981 ND2 ASN A 68 -23.823 -5.209 -1.087 1.00 33.43 N ATOM 0 H ASN A 68 -24.095 -3.561 3.619 1.00 50.22 H new ATOM 0 HA ASN A 68 -21.788 -4.938 2.382 1.00 22.31 H new ATOM 0 HB2 ASN A 68 -23.908 -6.069 1.760 1.00 30.44 H new ATOM 0 HB3 ASN A 68 -24.579 -4.538 1.233 1.00 30.44 H new ATOM 0 HD21 ASN A 68 -23.448 -5.310 -2.030 1.00 33.43 H new ATOM 0 HD22 ASN A 68 -24.819 -5.038 -0.950 1.00 33.43 H new ATOM 988 N GLY A 69 -21.296 -2.738 1.231 1.00 12.41 N ATOM 989 CA GLY A 69 -21.033 -1.473 0.664 1.00 61.00 C ATOM 990 C GLY A 69 -20.025 -0.699 1.446 1.00 71.25 C ATOM 991 O GLY A 69 -20.180 -0.436 2.652 1.00 73.12 O ATOM 0 H GLY A 69 -20.528 -3.407 1.182 1.00 12.41 H new ATOM 0 HA2 GLY A 69 -20.675 -1.603 -0.357 1.00 61.00 H new ATOM 0 HA3 GLY A 69 -21.960 -0.903 0.607 1.00 61.00 H new ATOM 995 N VAL A 70 -18.984 -0.358 0.775 1.00 14.33 N ATOM 996 CA VAL A 70 -17.928 0.406 1.343 1.00 5.03 C ATOM 997 C VAL A 70 -18.165 1.881 1.049 1.00 43.34 C ATOM 998 O VAL A 70 -18.065 2.340 -0.083 1.00 12.43 O ATOM 999 CB VAL A 70 -16.548 -0.075 0.844 1.00 43.24 C ATOM 1000 CG1 VAL A 70 -16.275 -1.461 1.352 1.00 71.01 C ATOM 1001 CG2 VAL A 70 -16.521 -0.097 -0.638 1.00 11.23 C ATOM 0 H VAL A 70 -18.838 -0.606 -0.203 1.00 14.33 H new ATOM 0 HA VAL A 70 -17.922 0.264 2.424 1.00 5.03 H new ATOM 0 HB VAL A 70 -15.787 0.612 1.215 1.00 43.24 H new ATOM 0 HG11 VAL A 70 -15.300 -1.794 0.996 1.00 71.01 H new ATOM 0 HG12 VAL A 70 -16.281 -1.457 2.442 1.00 71.01 H new ATOM 0 HG13 VAL A 70 -17.045 -2.140 0.987 1.00 71.01 H new ATOM 0 HG21 VAL A 70 -15.543 -0.438 -0.979 1.00 11.23 H new ATOM 0 HG22 VAL A 70 -17.290 -0.776 -1.006 1.00 11.23 H new ATOM 0 HG23 VAL A 70 -16.709 0.906 -1.020 1.00 11.23 H new ATOM 1011 N SER A 71 -18.557 2.583 2.045 1.00 23.24 N ATOM 1012 CA SER A 71 -18.894 3.958 1.915 1.00 54.00 C ATOM 1013 C SER A 71 -17.716 4.830 2.288 1.00 5.24 C ATOM 1014 O SER A 71 -16.624 4.318 2.492 1.00 71.53 O ATOM 1015 CB SER A 71 -20.054 4.190 2.839 1.00 41.32 C ATOM 1016 OG SER A 71 -19.690 3.901 4.198 1.00 73.24 O ATOM 0 H SER A 71 -18.656 2.216 2.992 1.00 23.24 H new ATOM 0 HA SER A 71 -19.156 4.212 0.888 1.00 54.00 H new ATOM 0 HB2 SER A 71 -20.387 5.225 2.759 1.00 41.32 H new ATOM 0 HB3 SER A 71 -20.893 3.561 2.541 1.00 41.32 H new ATOM 0 HG SER A 71 -19.832 4.698 4.751 1.00 73.24 H new ATOM 1022 N PHE A 72 -17.942 6.148 2.388 1.00 63.14 N ATOM 1023 CA PHE A 72 -16.925 7.106 2.872 1.00 64.32 C ATOM 1024 C PHE A 72 -16.358 6.623 4.198 1.00 14.22 C ATOM 1025 O PHE A 72 -15.197 6.818 4.511 1.00 41.14 O ATOM 1026 CB PHE A 72 -17.555 8.489 3.103 1.00 43.33 C ATOM 1027 CG PHE A 72 -18.185 9.129 1.897 1.00 43.32 C ATOM 1028 CD1 PHE A 72 -17.409 9.807 0.974 1.00 13.32 C ATOM 1029 CD2 PHE A 72 -19.555 9.070 1.698 1.00 1.45 C ATOM 1030 CE1 PHE A 72 -17.982 10.412 -0.126 1.00 55.33 C ATOM 1031 CE2 PHE A 72 -20.137 9.676 0.602 1.00 31.42 C ATOM 1032 CZ PHE A 72 -19.348 10.348 -0.312 1.00 55.04 C ATOM 0 H PHE A 72 -18.830 6.583 2.138 1.00 63.14 H new ATOM 0 HA PHE A 72 -16.140 7.177 2.119 1.00 64.32 H new ATOM 0 HB2 PHE A 72 -18.314 8.397 3.880 1.00 43.33 H new ATOM 0 HB3 PHE A 72 -16.785 9.159 3.486 1.00 43.33 H new ATOM 0 HD1 PHE A 72 -16.340 9.864 1.116 1.00 13.32 H new ATOM 0 HD2 PHE A 72 -20.175 8.544 2.409 1.00 1.45 H new ATOM 0 HE1 PHE A 72 -17.363 10.935 -0.840 1.00 55.33 H new ATOM 0 HE2 PHE A 72 -21.206 9.625 0.460 1.00 31.42 H new ATOM 0 HZ PHE A 72 -19.800 10.822 -1.171 1.00 55.04 H new ATOM 1042 N ASP A 73 -17.207 5.969 4.941 1.00 12.11 N ATOM 1043 CA ASP A 73 -16.885 5.448 6.226 1.00 22.45 C ATOM 1044 C ASP A 73 -16.129 4.144 6.046 1.00 23.02 C ATOM 1045 O ASP A 73 -14.928 4.092 6.224 1.00 24.30 O ATOM 1046 CB ASP A 73 -18.182 5.180 7.015 1.00 41.13 C ATOM 1047 CG ASP A 73 -19.210 6.274 6.827 1.00 22.14 C ATOM 1048 OD1 ASP A 73 -19.998 6.202 5.831 1.00 44.52 O ATOM 1049 OD2 ASP A 73 -19.245 7.251 7.614 1.00 12.25 O ATOM 0 H ASP A 73 -18.168 5.782 4.654 1.00 12.11 H new ATOM 0 HA ASP A 73 -16.273 6.165 6.774 1.00 22.45 H new ATOM 0 HB2 ASP A 73 -18.607 4.228 6.697 1.00 41.13 H new ATOM 0 HB3 ASP A 73 -17.946 5.086 8.075 1.00 41.13 H new ATOM 1054 N ASN A 74 -16.839 3.119 5.587 1.00 12.44 N ATOM 1055 CA ASN A 74 -16.287 1.758 5.468 1.00 13.51 C ATOM 1056 C ASN A 74 -15.059 1.644 4.579 1.00 63.15 C ATOM 1057 O ASN A 74 -14.091 1.006 4.959 1.00 60.33 O ATOM 1058 CB ASN A 74 -17.351 0.739 5.034 1.00 42.34 C ATOM 1059 CG ASN A 74 -18.261 0.303 6.159 1.00 30.52 C ATOM 1060 OD1 ASN A 74 -17.859 0.263 7.328 1.00 73.10 O ATOM 1061 ND2 ASN A 74 -19.475 -0.054 5.828 1.00 4.22 N ATOM 0 H ASN A 74 -17.810 3.199 5.286 1.00 12.44 H new ATOM 0 HA ASN A 74 -15.954 1.520 6.478 1.00 13.51 H new ATOM 0 HB2 ASN A 74 -17.954 1.173 4.236 1.00 42.34 H new ATOM 0 HB3 ASN A 74 -16.855 -0.138 4.618 1.00 42.34 H new ATOM 0 HD21 ASN A 74 -20.124 -0.378 6.545 1.00 4.22 H new ATOM 0 HD22 ASN A 74 -19.772 -0.008 4.853 1.00 4.22 H new ATOM 1068 N TYR A 75 -15.083 2.274 3.421 1.00 1.13 N ATOM 1069 CA TYR A 75 -13.983 2.164 2.462 1.00 30.20 C ATOM 1070 C TYR A 75 -12.723 2.757 3.069 1.00 14.22 C ATOM 1071 O TYR A 75 -11.677 2.091 3.154 1.00 31.44 O ATOM 1072 CB TYR A 75 -14.346 2.912 1.160 1.00 31.04 C ATOM 1073 CG TYR A 75 -13.370 2.788 -0.006 1.00 11.14 C ATOM 1074 CD1 TYR A 75 -12.082 3.289 0.070 1.00 10.55 C ATOM 1075 CD2 TYR A 75 -13.760 2.197 -1.191 1.00 45.30 C ATOM 1076 CE1 TYR A 75 -11.219 3.205 -0.989 1.00 62.04 C ATOM 1077 CE2 TYR A 75 -12.893 2.110 -2.264 1.00 14.23 C ATOM 1078 CZ TYR A 75 -11.628 2.615 -2.156 1.00 40.11 C ATOM 1079 OH TYR A 75 -10.763 2.530 -3.218 1.00 42.02 O ATOM 0 H TYR A 75 -15.851 2.871 3.114 1.00 1.13 H new ATOM 0 HA TYR A 75 -13.809 1.114 2.228 1.00 30.20 H new ATOM 0 HB2 TYR A 75 -15.320 2.556 0.825 1.00 31.04 H new ATOM 0 HB3 TYR A 75 -14.458 3.970 1.397 1.00 31.04 H new ATOM 0 HD1 TYR A 75 -11.751 3.757 0.985 1.00 10.55 H new ATOM 0 HD2 TYR A 75 -14.759 1.796 -1.281 1.00 45.30 H new ATOM 0 HE1 TYR A 75 -10.218 3.603 -0.905 1.00 62.04 H new ATOM 0 HE2 TYR A 75 -13.214 1.645 -3.184 1.00 14.23 H new ATOM 0 HH TYR A 75 -10.996 1.754 -3.769 1.00 42.02 H new ATOM 1089 N VAL A 76 -12.830 3.983 3.537 1.00 10.51 N ATOM 1090 CA VAL A 76 -11.679 4.673 4.061 1.00 71.24 C ATOM 1091 C VAL A 76 -11.246 4.045 5.370 1.00 73.35 C ATOM 1092 O VAL A 76 -10.062 3.979 5.666 1.00 3.12 O ATOM 1093 CB VAL A 76 -11.912 6.179 4.229 1.00 32.44 C ATOM 1094 CG1 VAL A 76 -10.620 6.865 4.578 1.00 0.12 C ATOM 1095 CG2 VAL A 76 -12.482 6.778 2.969 1.00 60.53 C ATOM 0 H VAL A 76 -13.699 4.517 3.564 1.00 10.51 H new ATOM 0 HA VAL A 76 -10.879 4.566 3.328 1.00 71.24 H new ATOM 0 HB VAL A 76 -12.629 6.325 5.037 1.00 32.44 H new ATOM 0 HG11 VAL A 76 -10.796 7.934 4.695 1.00 0.12 H new ATOM 0 HG12 VAL A 76 -10.232 6.457 5.511 1.00 0.12 H new ATOM 0 HG13 VAL A 76 -9.895 6.702 3.781 1.00 0.12 H new ATOM 0 HG21 VAL A 76 -12.639 7.847 3.113 1.00 60.53 H new ATOM 0 HG22 VAL A 76 -11.787 6.621 2.144 1.00 60.53 H new ATOM 0 HG23 VAL A 76 -13.434 6.300 2.737 1.00 60.53 H new ATOM 1105 N GLN A 77 -12.203 3.536 6.124 1.00 1.20 N ATOM 1106 CA GLN A 77 -11.902 2.788 7.324 1.00 61.45 C ATOM 1107 C GLN A 77 -11.111 1.539 7.049 1.00 23.45 C ATOM 1108 O GLN A 77 -10.583 0.974 7.953 1.00 53.43 O ATOM 1109 CB GLN A 77 -13.108 2.524 8.224 1.00 1.13 C ATOM 1110 CG GLN A 77 -13.487 3.731 9.074 1.00 33.33 C ATOM 1111 CD GLN A 77 -12.355 4.174 10.013 1.00 54.34 C ATOM 1112 OE1 GLN A 77 -12.224 5.346 10.331 1.00 13.41 O ATOM 1113 NE2 GLN A 77 -11.534 3.239 10.461 1.00 71.20 N ATOM 0 H GLN A 77 -13.199 3.629 5.923 1.00 1.20 H new ATOM 0 HA GLN A 77 -11.259 3.451 7.902 1.00 61.45 H new ATOM 0 HB2 GLN A 77 -13.960 2.238 7.607 1.00 1.13 H new ATOM 0 HB3 GLN A 77 -12.890 1.679 8.878 1.00 1.13 H new ATOM 0 HG2 GLN A 77 -13.757 4.560 8.420 1.00 33.33 H new ATOM 0 HG3 GLN A 77 -14.371 3.491 9.665 1.00 33.33 H new ATOM 0 HE21 GLN A 77 -11.666 2.267 10.180 1.00 71.20 H new ATOM 0 HE22 GLN A 77 -10.769 3.489 11.088 1.00 71.20 H new ATOM 1122 N TYR A 78 -11.097 1.079 5.807 1.00 52.33 N ATOM 1123 CA TYR A 78 -10.235 -0.015 5.437 1.00 60.13 C ATOM 1124 C TYR A 78 -8.874 0.516 4.965 1.00 21.52 C ATOM 1125 O TYR A 78 -7.822 0.139 5.475 1.00 71.31 O ATOM 1126 CB TYR A 78 -10.850 -0.867 4.317 1.00 24.53 C ATOM 1127 CG TYR A 78 -9.872 -1.904 3.801 1.00 60.52 C ATOM 1128 CD1 TYR A 78 -9.508 -2.992 4.583 1.00 74.04 C ATOM 1129 CD2 TYR A 78 -9.268 -1.761 2.553 1.00 73.12 C ATOM 1130 CE1 TYR A 78 -8.574 -3.902 4.142 1.00 64.05 C ATOM 1131 CE2 TYR A 78 -8.343 -2.673 2.101 1.00 24.34 C ATOM 1132 CZ TYR A 78 -7.995 -3.739 2.899 1.00 53.43 C ATOM 1133 OH TYR A 78 -7.050 -4.639 2.461 1.00 43.24 O ATOM 0 H TYR A 78 -11.671 1.448 5.049 1.00 52.33 H new ATOM 0 HA TYR A 78 -10.108 -0.639 6.322 1.00 60.13 H new ATOM 0 HB2 TYR A 78 -11.746 -1.365 4.688 1.00 24.53 H new ATOM 0 HB3 TYR A 78 -11.161 -0.220 3.497 1.00 24.53 H new ATOM 0 HD1 TYR A 78 -9.965 -3.126 5.552 1.00 74.04 H new ATOM 0 HD2 TYR A 78 -9.531 -0.919 1.930 1.00 73.12 H new ATOM 0 HE1 TYR A 78 -8.295 -4.739 4.765 1.00 64.05 H new ATOM 0 HE2 TYR A 78 -7.893 -2.553 1.127 1.00 24.34 H new ATOM 0 HH TYR A 78 -7.078 -4.693 1.483 1.00 43.24 H new ATOM 1143 N MET A 79 -8.909 1.393 3.988 1.00 12.40 N ATOM 1144 CA MET A 79 -7.688 1.884 3.356 1.00 61.33 C ATOM 1145 C MET A 79 -6.827 2.704 4.319 1.00 73.04 C ATOM 1146 O MET A 79 -5.615 2.458 4.470 1.00 44.54 O ATOM 1147 CB MET A 79 -8.028 2.680 2.090 1.00 44.42 C ATOM 1148 CG MET A 79 -6.816 3.225 1.341 1.00 63.12 C ATOM 1149 SD MET A 79 -7.262 4.066 -0.195 1.00 61.43 S ATOM 1150 CE MET A 79 -7.922 2.703 -1.170 1.00 61.05 C ATOM 0 H MET A 79 -9.769 1.787 3.607 1.00 12.40 H new ATOM 0 HA MET A 79 -7.091 1.018 3.071 1.00 61.33 H new ATOM 0 HB2 MET A 79 -8.598 2.041 1.416 1.00 44.42 H new ATOM 0 HB3 MET A 79 -8.676 3.513 2.363 1.00 44.42 H new ATOM 0 HG2 MET A 79 -6.277 3.919 1.987 1.00 63.12 H new ATOM 0 HG3 MET A 79 -6.135 2.405 1.116 1.00 63.12 H new ATOM 0 HE1 MET A 79 -8.351 3.091 -2.094 1.00 61.05 H new ATOM 0 HE2 MET A 79 -7.120 2.004 -1.408 1.00 61.05 H new ATOM 0 HE3 MET A 79 -8.695 2.188 -0.599 1.00 61.05 H new ATOM 1160 N LYS A 80 -7.450 3.617 5.018 1.00 75.23 N ATOM 1161 CA LYS A 80 -6.727 4.485 5.898 1.00 4.32 C ATOM 1162 C LYS A 80 -6.353 3.698 7.171 1.00 51.23 C ATOM 1163 O LYS A 80 -5.371 3.996 7.796 1.00 34.41 O ATOM 1164 CB LYS A 80 -7.542 5.783 6.159 1.00 41.43 C ATOM 1165 CG LYS A 80 -6.711 7.039 6.498 1.00 11.30 C ATOM 1166 CD LYS A 80 -6.170 7.031 7.908 1.00 43.45 C ATOM 1167 CE LYS A 80 -7.263 7.298 8.924 1.00 61.23 C ATOM 1168 NZ LYS A 80 -6.807 7.013 10.289 1.00 34.43 N ATOM 0 H LYS A 80 -8.457 3.775 4.992 1.00 75.23 H new ATOM 0 HA LYS A 80 -5.792 4.819 5.448 1.00 4.32 H new ATOM 0 HB2 LYS A 80 -8.144 5.996 5.276 1.00 41.43 H new ATOM 0 HB3 LYS A 80 -8.235 5.596 6.979 1.00 41.43 H new ATOM 0 HG2 LYS A 80 -5.880 7.117 5.797 1.00 11.30 H new ATOM 0 HG3 LYS A 80 -7.330 7.925 6.358 1.00 11.30 H new ATOM 0 HD2 LYS A 80 -5.707 6.066 8.116 1.00 43.45 H new ATOM 0 HD3 LYS A 80 -5.390 7.787 8.004 1.00 43.45 H new ATOM 0 HE2 LYS A 80 -7.580 8.339 8.855 1.00 61.23 H new ATOM 0 HE3 LYS A 80 -8.134 6.684 8.694 1.00 61.23 H new ATOM 0 HZ1 LYS A 80 -7.578 7.206 10.960 1.00 34.43 H new ATOM 0 HZ2 LYS A 80 -6.528 6.014 10.360 1.00 34.43 H new ATOM 0 HZ3 LYS A 80 -5.992 7.617 10.516 1.00 34.43 H new ATOM 1182 N GLU A 81 -7.134 2.641 7.478 1.00 73.52 N ATOM 1183 CA GLU A 81 -6.808 1.679 8.569 1.00 51.10 C ATOM 1184 C GLU A 81 -5.443 1.099 8.296 1.00 70.34 C ATOM 1185 O GLU A 81 -4.544 1.158 9.116 1.00 63.30 O ATOM 1186 CB GLU A 81 -7.803 0.523 8.534 1.00 62.32 C ATOM 1187 CG GLU A 81 -7.493 -0.660 9.439 1.00 32.31 C ATOM 1188 CD GLU A 81 -8.241 -1.910 9.004 1.00 60.31 C ATOM 1189 OE1 GLU A 81 -7.830 -2.524 7.978 1.00 31.31 O ATOM 1190 OE2 GLU A 81 -9.212 -2.302 9.654 1.00 1.22 O ATOM 0 H GLU A 81 -8.001 2.426 6.986 1.00 73.52 H new ATOM 0 HA GLU A 81 -6.843 2.190 9.531 1.00 51.10 H new ATOM 0 HB2 GLU A 81 -8.786 0.910 8.801 1.00 62.32 H new ATOM 0 HB3 GLU A 81 -7.871 0.161 7.508 1.00 62.32 H new ATOM 0 HG2 GLU A 81 -6.421 -0.855 9.429 1.00 32.31 H new ATOM 0 HG3 GLU A 81 -7.762 -0.413 10.466 1.00 32.31 H new ATOM 1197 N LYS A 82 -5.309 0.556 7.098 1.00 13.21 N ATOM 1198 CA LYS A 82 -4.088 -0.043 6.637 1.00 42.14 C ATOM 1199 C LYS A 82 -2.964 0.978 6.546 1.00 63.54 C ATOM 1200 O LYS A 82 -1.800 0.622 6.676 1.00 51.13 O ATOM 1201 CB LYS A 82 -4.336 -0.780 5.319 1.00 44.53 C ATOM 1202 CG LYS A 82 -5.162 -2.051 5.509 1.00 3.42 C ATOM 1203 CD LYS A 82 -4.299 -3.169 6.083 1.00 5.03 C ATOM 1204 CE LYS A 82 -5.115 -4.327 6.651 1.00 31.45 C ATOM 1205 NZ LYS A 82 -5.723 -3.994 7.964 1.00 24.43 N ATOM 0 H LYS A 82 -6.064 0.523 6.413 1.00 13.21 H new ATOM 0 HA LYS A 82 -3.755 -0.781 7.367 1.00 42.14 H new ATOM 0 HB2 LYS A 82 -4.851 -0.115 4.626 1.00 44.53 H new ATOM 0 HB3 LYS A 82 -3.379 -1.036 4.864 1.00 44.53 H new ATOM 0 HG2 LYS A 82 -6.000 -1.851 6.177 1.00 3.42 H new ATOM 0 HG3 LYS A 82 -5.584 -2.363 4.554 1.00 3.42 H new ATOM 0 HD2 LYS A 82 -3.639 -3.547 5.302 1.00 5.03 H new ATOM 0 HD3 LYS A 82 -3.663 -2.761 6.869 1.00 5.03 H new ATOM 0 HE2 LYS A 82 -5.902 -4.595 5.946 1.00 31.45 H new ATOM 0 HE3 LYS A 82 -4.474 -5.202 6.761 1.00 31.45 H new ATOM 0 HZ1 LYS A 82 -6.267 -4.809 8.311 1.00 24.43 H new ATOM 0 HZ2 LYS A 82 -4.972 -3.763 8.646 1.00 24.43 H new ATOM 0 HZ3 LYS A 82 -6.356 -3.176 7.856 1.00 24.43 H new ATOM 1219 N ASN A 83 -3.321 2.235 6.319 1.00 61.42 N ATOM 1220 CA ASN A 83 -2.341 3.333 6.346 1.00 12.21 C ATOM 1221 C ASN A 83 -1.893 3.657 7.797 1.00 21.13 C ATOM 1222 O ASN A 83 -0.745 3.994 8.021 1.00 51.34 O ATOM 1223 CB ASN A 83 -2.902 4.587 5.645 1.00 53.05 C ATOM 1224 CG ASN A 83 -1.931 5.782 5.576 1.00 74.34 C ATOM 1225 OD1 ASN A 83 -2.360 6.928 5.563 1.00 53.44 O ATOM 1226 ND2 ASN A 83 -0.637 5.530 5.521 1.00 43.25 N ATOM 0 H ASN A 83 -4.276 2.528 6.114 1.00 61.42 H new ATOM 0 HA ASN A 83 -1.459 3.005 5.796 1.00 12.21 H new ATOM 0 HB2 ASN A 83 -3.196 4.317 4.631 1.00 53.05 H new ATOM 0 HB3 ASN A 83 -3.806 4.902 6.165 1.00 53.05 H new ATOM 0 HD21 ASN A 83 0.031 6.299 5.466 1.00 43.25 H new ATOM 0 HD22 ASN A 83 -0.304 4.566 5.533 1.00 43.25 H new ATOM 1345 N LEU A 92 12.154 4.064 5.987 1.00 23.41 N ATOM 1346 CA LEU A 92 13.433 3.886 5.314 1.00 44.22 C ATOM 1347 C LEU A 92 14.461 4.868 5.846 1.00 15.24 C ATOM 1348 O LEU A 92 15.648 4.579 5.862 1.00 73.52 O ATOM 1349 CB LEU A 92 13.331 4.009 3.770 1.00 63.22 C ATOM 1350 CG LEU A 92 12.723 2.823 2.981 1.00 33.54 C ATOM 1351 CD1 LEU A 92 13.455 1.524 3.275 1.00 14.34 C ATOM 1352 CD2 LEU A 92 11.229 2.675 3.218 1.00 14.10 C ATOM 0 HA LEU A 92 13.753 2.867 5.533 1.00 44.22 H new ATOM 0 HB2 LEU A 92 12.740 4.897 3.545 1.00 63.22 H new ATOM 0 HB3 LEU A 92 14.334 4.187 3.383 1.00 63.22 H new ATOM 0 HG LEU A 92 12.857 3.052 1.924 1.00 33.54 H new ATOM 0 HD11 LEU A 92 13.001 0.714 2.704 1.00 14.34 H new ATOM 0 HD12 LEU A 92 14.503 1.625 2.992 1.00 14.34 H new ATOM 0 HD13 LEU A 92 13.386 1.301 4.340 1.00 14.34 H new ATOM 0 HD21 LEU A 92 10.851 1.830 2.643 1.00 14.10 H new ATOM 0 HD22 LEU A 92 11.044 2.504 4.278 1.00 14.10 H new ATOM 0 HD23 LEU A 92 10.719 3.585 2.903 1.00 14.10 H new ATOM 1364 N ASN A 93 13.993 5.997 6.352 1.00 21.12 N ATOM 1365 CA ASN A 93 14.884 7.017 6.879 1.00 5.41 C ATOM 1366 C ASN A 93 15.439 6.584 8.221 1.00 33.43 C ATOM 1367 O ASN A 93 16.483 7.066 8.665 1.00 71.31 O ATOM 1368 CB ASN A 93 14.192 8.389 6.970 1.00 61.32 C ATOM 1369 CG ASN A 93 13.692 8.868 5.615 1.00 32.53 C ATOM 1370 OD1 ASN A 93 12.557 8.615 5.235 1.00 13.02 O ATOM 1371 ND2 ASN A 93 14.534 9.541 4.876 1.00 2.24 N ATOM 0 H ASN A 93 13.002 6.230 6.409 1.00 21.12 H new ATOM 0 HA ASN A 93 15.716 7.132 6.184 1.00 5.41 H new ATOM 0 HB2 ASN A 93 13.354 8.327 7.664 1.00 61.32 H new ATOM 0 HB3 ASN A 93 14.890 9.120 7.378 1.00 61.32 H new ATOM 0 HD21 ASN A 93 14.252 9.872 3.953 1.00 2.24 H new ATOM 0 HD22 ASN A 93 15.474 9.736 5.222 1.00 2.24 H new ATOM 1378 N GLU A 94 14.751 5.653 8.851 1.00 64.04 N ATOM 1379 CA GLU A 94 15.222 5.065 10.072 1.00 4.21 C ATOM 1380 C GLU A 94 16.112 3.904 9.679 1.00 13.44 C ATOM 1381 O GLU A 94 17.314 3.922 9.918 1.00 60.12 O ATOM 1382 CB GLU A 94 14.002 4.639 10.948 1.00 3.23 C ATOM 1383 CG GLU A 94 14.301 3.856 12.243 1.00 70.51 C ATOM 1384 CD GLU A 94 14.550 2.368 12.008 1.00 22.02 C ATOM 1385 OE1 GLU A 94 13.570 1.636 11.805 1.00 3.22 O ATOM 1386 OE2 GLU A 94 15.723 1.938 12.014 1.00 40.44 O ATOM 0 H GLU A 94 13.855 5.290 8.527 1.00 64.04 H new ATOM 0 HA GLU A 94 15.800 5.761 10.680 1.00 4.21 H new ATOM 0 HB2 GLU A 94 13.450 5.539 11.218 1.00 3.23 H new ATOM 0 HB3 GLU A 94 13.340 4.031 10.331 1.00 3.23 H new ATOM 0 HG2 GLU A 94 15.175 4.291 12.728 1.00 70.51 H new ATOM 0 HG3 GLU A 94 13.464 3.973 12.931 1.00 70.51 H new ATOM 1393 N ILE A 95 15.518 2.985 8.950 1.00 24.12 N ATOM 1394 CA ILE A 95 16.150 1.767 8.504 1.00 22.11 C ATOM 1395 C ILE A 95 17.518 1.961 7.828 1.00 72.42 C ATOM 1396 O ILE A 95 18.481 1.294 8.206 1.00 41.24 O ATOM 1397 CB ILE A 95 15.159 0.904 7.672 1.00 14.43 C ATOM 1398 CG1 ILE A 95 14.187 0.165 8.607 1.00 64.40 C ATOM 1399 CG2 ILE A 95 15.845 -0.049 6.726 1.00 61.52 C ATOM 1400 CD1 ILE A 95 14.874 -0.803 9.580 1.00 54.11 C ATOM 0 H ILE A 95 14.549 3.070 8.642 1.00 24.12 H new ATOM 0 HA ILE A 95 16.401 1.205 9.404 1.00 22.11 H new ATOM 0 HB ILE A 95 14.594 1.589 7.039 1.00 14.43 H new ATOM 0 HG12 ILE A 95 13.621 0.899 9.180 1.00 64.40 H new ATOM 0 HG13 ILE A 95 13.469 -0.391 8.003 1.00 64.40 H new ATOM 0 HG21 ILE A 95 15.096 -0.620 6.177 1.00 61.52 H new ATOM 0 HG22 ILE A 95 16.458 0.515 6.023 1.00 61.52 H new ATOM 0 HG23 ILE A 95 16.478 -0.732 7.293 1.00 61.52 H new ATOM 0 HD11 ILE A 95 14.122 -1.285 10.205 1.00 54.11 H new ATOM 0 HD12 ILE A 95 15.417 -1.561 9.016 1.00 54.11 H new ATOM 0 HD13 ILE A 95 15.571 -0.251 10.211 1.00 54.11 H new ATOM 1412 N PHE A 96 17.640 2.895 6.885 1.00 31.30 N ATOM 1413 CA PHE A 96 18.945 3.133 6.241 1.00 50.11 C ATOM 1414 C PHE A 96 20.006 3.550 7.245 1.00 1.23 C ATOM 1415 O PHE A 96 21.171 3.197 7.096 1.00 71.33 O ATOM 1416 CB PHE A 96 18.879 4.164 5.112 1.00 62.52 C ATOM 1417 CG PHE A 96 18.468 3.627 3.770 1.00 1.51 C ATOM 1418 CD1 PHE A 96 17.143 3.580 3.389 1.00 71.30 C ATOM 1419 CD2 PHE A 96 19.431 3.194 2.877 1.00 50.01 C ATOM 1420 CE1 PHE A 96 16.783 3.108 2.144 1.00 53.10 C ATOM 1421 CE2 PHE A 96 19.080 2.726 1.633 1.00 54.54 C ATOM 1422 CZ PHE A 96 17.753 2.684 1.266 1.00 44.13 C ATOM 0 H PHE A 96 16.879 3.487 6.553 1.00 31.30 H new ATOM 0 HA PHE A 96 19.225 2.175 5.803 1.00 50.11 H new ATOM 0 HB2 PHE A 96 18.179 4.948 5.400 1.00 62.52 H new ATOM 0 HB3 PHE A 96 19.859 4.632 5.013 1.00 62.52 H new ATOM 0 HD1 PHE A 96 16.379 3.917 4.074 1.00 71.30 H new ATOM 0 HD2 PHE A 96 20.473 3.224 3.161 1.00 50.01 H new ATOM 0 HE1 PHE A 96 15.742 3.071 1.859 1.00 53.10 H new ATOM 0 HE2 PHE A 96 19.843 2.392 0.945 1.00 54.54 H new ATOM 0 HZ PHE A 96 17.474 2.318 0.289 1.00 44.13 H new ATOM 1432 N SER A 97 19.586 4.219 8.292 1.00 3.13 N ATOM 1433 CA SER A 97 20.487 4.701 9.305 1.00 42.15 C ATOM 1434 C SER A 97 20.895 3.548 10.235 1.00 75.53 C ATOM 1435 O SER A 97 21.901 3.623 10.926 1.00 3.45 O ATOM 1436 CB SER A 97 19.799 5.823 10.083 1.00 14.33 C ATOM 1437 OG SER A 97 19.278 6.806 9.182 1.00 10.14 O ATOM 0 H SER A 97 18.606 4.444 8.464 1.00 3.13 H new ATOM 0 HA SER A 97 21.394 5.094 8.846 1.00 42.15 H new ATOM 0 HB2 SER A 97 18.992 5.412 10.690 1.00 14.33 H new ATOM 0 HB3 SER A 97 20.508 6.287 10.768 1.00 14.33 H new ATOM 0 HG SER A 97 18.303 6.719 9.131 1.00 10.14 H new ATOM 1443 N THR A 98 20.108 2.488 10.223 1.00 42.13 N ATOM 1444 CA THR A 98 20.374 1.319 11.010 1.00 3.21 C ATOM 1445 C THR A 98 21.238 0.313 10.219 1.00 75.51 C ATOM 1446 O THR A 98 22.157 -0.305 10.755 1.00 63.03 O ATOM 1447 CB THR A 98 19.035 0.685 11.448 1.00 60.43 C ATOM 1448 OG1 THR A 98 18.305 1.677 12.184 1.00 34.22 O ATOM 1449 CG2 THR A 98 19.261 -0.529 12.345 1.00 1.01 C ATOM 0 H THR A 98 19.261 2.423 9.658 1.00 42.13 H new ATOM 0 HA THR A 98 20.937 1.601 11.899 1.00 3.21 H new ATOM 0 HB THR A 98 18.488 0.354 10.565 1.00 60.43 H new ATOM 0 HG1 THR A 98 17.345 1.495 12.114 1.00 34.22 H new ATOM 0 HG21 THR A 98 18.299 -0.951 12.635 1.00 1.01 H new ATOM 0 HG22 THR A 98 19.838 -1.279 11.804 1.00 1.01 H new ATOM 0 HG23 THR A 98 19.808 -0.225 13.238 1.00 1.01 H new ATOM 1457 N ILE A 99 20.960 0.193 8.935 1.00 72.54 N ATOM 1458 CA ILE A 99 21.656 -0.768 8.085 1.00 44.24 C ATOM 1459 C ILE A 99 22.985 -0.214 7.595 1.00 51.23 C ATOM 1460 O ILE A 99 24.049 -0.786 7.824 1.00 32.24 O ATOM 1461 CB ILE A 99 20.872 -1.060 6.805 1.00 1.22 C ATOM 1462 CG1 ILE A 99 19.415 -1.411 7.060 1.00 24.05 C ATOM 1463 CG2 ILE A 99 21.553 -2.182 6.027 1.00 73.34 C ATOM 1464 CD1 ILE A 99 18.648 -1.732 5.789 1.00 53.25 C ATOM 0 H ILE A 99 20.255 0.749 8.451 1.00 72.54 H new ATOM 0 HA ILE A 99 21.780 -1.658 8.702 1.00 44.24 H new ATOM 0 HB ILE A 99 20.871 -0.141 6.219 1.00 1.22 H new ATOM 0 HG12 ILE A 99 19.366 -2.267 7.733 1.00 24.05 H new ATOM 0 HG13 ILE A 99 18.930 -0.578 7.569 1.00 24.05 H new ATOM 0 HG21 ILE A 99 20.991 -2.386 5.116 1.00 73.34 H new ATOM 0 HG22 ILE A 99 22.568 -1.881 5.767 1.00 73.34 H new ATOM 0 HG23 ILE A 99 21.588 -3.082 6.641 1.00 73.34 H new ATOM 0 HD11 ILE A 99 17.615 -1.974 6.039 1.00 53.25 H new ATOM 0 HD12 ILE A 99 18.668 -0.868 5.124 1.00 53.25 H new ATOM 0 HD13 ILE A 99 19.110 -2.584 5.291 1.00 53.25 H new ATOM 1476 N ALA A 100 22.909 0.926 6.924 1.00 15.33 N ATOM 1477 CA ALA A 100 24.038 1.498 6.209 1.00 2.44 C ATOM 1478 C ALA A 100 24.897 2.349 7.120 1.00 12.22 C ATOM 1479 O ALA A 100 25.775 3.091 6.675 1.00 11.14 O ATOM 1480 CB ALA A 100 23.539 2.287 5.017 1.00 35.14 C ATOM 0 H ALA A 100 22.057 1.483 6.861 1.00 15.33 H new ATOM 0 HA ALA A 100 24.671 0.687 5.849 1.00 2.44 H new ATOM 0 HB1 ALA A 100 24.387 2.715 4.483 1.00 35.14 H new ATOM 0 HB2 ALA A 100 22.985 1.627 4.349 1.00 35.14 H new ATOM 0 HB3 ALA A 100 22.884 3.088 5.359 1.00 35.14 H new ATOM 1486 N ALA A 101 24.674 2.157 8.376 1.00 42.12 N ATOM 1487 CA ALA A 101 25.329 2.835 9.441 1.00 13.32 C ATOM 1488 C ALA A 101 26.852 2.646 9.391 1.00 3.10 C ATOM 1489 O ALA A 101 27.366 1.559 9.663 1.00 12.22 O ATOM 1490 CB ALA A 101 24.756 2.297 10.731 1.00 42.02 C ATOM 0 H ALA A 101 23.986 1.480 8.706 1.00 42.12 H new ATOM 0 HA ALA A 101 25.158 3.908 9.359 1.00 13.32 H new ATOM 0 HB1 ALA A 101 25.234 2.793 11.576 1.00 42.02 H new ATOM 0 HB2 ALA A 101 23.683 2.485 10.759 1.00 42.02 H new ATOM 0 HB3 ALA A 101 24.938 1.224 10.790 1.00 42.02 H new ATOM 1496 N GLY A 102 27.548 3.679 8.951 1.00 54.42 N ATOM 1497 CA GLY A 102 28.997 3.662 8.944 1.00 22.44 C ATOM 1498 C GLY A 102 29.591 3.305 7.596 1.00 31.34 C ATOM 1499 O GLY A 102 30.803 3.350 7.419 1.00 35.12 O ATOM 0 H GLY A 102 27.132 4.539 8.594 1.00 54.42 H new ATOM 0 HA2 GLY A 102 29.365 4.642 9.246 1.00 22.44 H new ATOM 0 HA3 GLY A 102 29.348 2.946 9.688 1.00 22.44 H new ATOM 1503 N LYS A 103 28.756 2.952 6.648 1.00 20.13 N ATOM 1504 CA LYS A 103 29.243 2.577 5.337 1.00 64.30 C ATOM 1505 C LYS A 103 28.845 3.648 4.317 1.00 12.13 C ATOM 1506 O LYS A 103 28.275 4.663 4.690 1.00 63.51 O ATOM 1507 CB LYS A 103 28.742 1.151 4.951 1.00 54.34 C ATOM 1508 CG LYS A 103 27.241 1.033 4.699 1.00 50.42 C ATOM 1509 CD LYS A 103 26.733 -0.422 4.747 1.00 62.21 C ATOM 1510 CE LYS A 103 26.781 -0.984 6.177 1.00 32.20 C ATOM 1511 NZ LYS A 103 26.057 -2.276 6.319 1.00 14.45 N ATOM 0 H LYS A 103 27.742 2.916 6.756 1.00 20.13 H new ATOM 0 HA LYS A 103 30.332 2.525 5.346 1.00 64.30 H new ATOM 0 HB2 LYS A 103 29.271 0.829 4.054 1.00 54.34 H new ATOM 0 HB3 LYS A 103 29.015 0.460 5.748 1.00 54.34 H new ATOM 0 HG2 LYS A 103 26.706 1.623 5.443 1.00 50.42 H new ATOM 0 HG3 LYS A 103 27.007 1.461 3.724 1.00 50.42 H new ATOM 0 HD2 LYS A 103 25.711 -0.465 4.371 1.00 62.21 H new ATOM 0 HD3 LYS A 103 27.341 -1.043 4.089 1.00 62.21 H new ATOM 0 HE2 LYS A 103 27.821 -1.122 6.472 1.00 32.20 H new ATOM 0 HE3 LYS A 103 26.349 -0.255 6.863 1.00 32.20 H new ATOM 0 HZ1 LYS A 103 25.843 -2.446 7.323 1.00 14.45 H new ATOM 0 HZ2 LYS A 103 25.170 -2.238 5.777 1.00 14.45 H new ATOM 0 HZ3 LYS A 103 26.651 -3.049 5.956 1.00 14.45 H new ATOM 1525 N ASP A 104 29.199 3.447 3.073 1.00 24.24 N ATOM 1526 CA ASP A 104 28.811 4.351 1.975 1.00 43.40 C ATOM 1527 C ASP A 104 28.168 3.521 0.891 1.00 54.21 C ATOM 1528 O ASP A 104 26.993 3.680 0.560 1.00 11.34 O ATOM 1529 CB ASP A 104 30.037 5.102 1.418 1.00 0.20 C ATOM 1530 CG ASP A 104 29.767 5.842 0.126 1.00 44.23 C ATOM 1531 OD1 ASP A 104 29.863 5.211 -0.952 1.00 50.20 O ATOM 1532 OD2 ASP A 104 29.503 7.049 0.145 1.00 75.44 O ATOM 0 H ASP A 104 29.766 2.654 2.773 1.00 24.24 H new ATOM 0 HA ASP A 104 28.111 5.100 2.346 1.00 43.40 H new ATOM 0 HB2 ASP A 104 30.386 5.813 2.167 1.00 0.20 H new ATOM 0 HB3 ASP A 104 30.845 4.389 1.255 1.00 0.20 H new ATOM 1537 N SER A 105 28.932 2.610 0.369 1.00 34.34 N ATOM 1538 CA SER A 105 28.444 1.701 -0.602 1.00 33.13 C ATOM 1539 C SER A 105 27.891 0.463 0.135 1.00 44.22 C ATOM 1540 O SER A 105 28.583 -0.146 0.963 1.00 61.44 O ATOM 1541 CB SER A 105 29.584 1.346 -1.545 1.00 65.33 C ATOM 1542 OG SER A 105 30.247 2.537 -1.993 1.00 35.12 O ATOM 0 H SER A 105 29.915 2.482 0.611 1.00 34.34 H new ATOM 0 HA SER A 105 27.639 2.132 -1.197 1.00 33.13 H new ATOM 0 HB2 SER A 105 30.295 0.694 -1.038 1.00 65.33 H new ATOM 0 HB3 SER A 105 29.198 0.792 -2.401 1.00 65.33 H new ATOM 0 HG SER A 105 29.831 3.320 -1.575 1.00 35.12 H new ATOM 1548 N ILE A 106 26.649 0.155 -0.113 1.00 52.30 N ATOM 1549 CA ILE A 106 25.961 -0.946 0.528 1.00 51.32 C ATOM 1550 C ILE A 106 25.575 -2.006 -0.513 1.00 63.12 C ATOM 1551 O ILE A 106 24.967 -1.697 -1.503 1.00 1.51 O ATOM 1552 CB ILE A 106 24.699 -0.423 1.314 1.00 22.32 C ATOM 1553 CG1 ILE A 106 23.853 -1.572 1.826 1.00 71.14 C ATOM 1554 CG2 ILE A 106 23.845 0.510 0.461 1.00 12.54 C ATOM 1555 CD1 ILE A 106 22.712 -1.138 2.728 1.00 40.53 C ATOM 0 H ILE A 106 26.070 0.668 -0.778 1.00 52.30 H new ATOM 0 HA ILE A 106 26.631 -1.412 1.250 1.00 51.32 H new ATOM 0 HB ILE A 106 25.074 0.143 2.166 1.00 22.32 H new ATOM 0 HG12 ILE A 106 23.444 -2.117 0.975 1.00 71.14 H new ATOM 0 HG13 ILE A 106 24.492 -2.266 2.372 1.00 71.14 H new ATOM 0 HG21 ILE A 106 22.986 0.848 1.040 1.00 12.54 H new ATOM 0 HG22 ILE A 106 24.440 1.372 0.158 1.00 12.54 H new ATOM 0 HG23 ILE A 106 23.499 -0.022 -0.425 1.00 12.54 H new ATOM 0 HD11 ILE A 106 22.152 -2.015 3.054 1.00 40.53 H new ATOM 0 HD12 ILE A 106 23.113 -0.619 3.598 1.00 40.53 H new ATOM 0 HD13 ILE A 106 22.050 -0.468 2.180 1.00 40.53 H new ATOM 1567 N THR A 107 25.965 -3.234 -0.307 1.00 32.23 N ATOM 1568 CA THR A 107 25.658 -4.280 -1.264 1.00 32.25 C ATOM 1569 C THR A 107 24.310 -4.907 -0.928 1.00 63.12 C ATOM 1570 O THR A 107 23.860 -4.822 0.220 1.00 61.33 O ATOM 1571 CB THR A 107 26.761 -5.365 -1.259 1.00 74.21 C ATOM 1572 OG1 THR A 107 26.934 -5.869 0.075 1.00 60.33 O ATOM 1573 CG2 THR A 107 28.082 -4.804 -1.758 1.00 12.45 C ATOM 0 H THR A 107 26.494 -3.542 0.509 1.00 32.23 H new ATOM 0 HA THR A 107 25.613 -3.839 -2.260 1.00 32.25 H new ATOM 0 HB THR A 107 26.451 -6.169 -1.926 1.00 74.21 H new ATOM 0 HG1 THR A 107 27.632 -6.557 0.077 1.00 60.33 H new ATOM 0 HG21 THR A 107 28.839 -5.588 -1.744 1.00 12.45 H new ATOM 0 HG22 THR A 107 27.960 -4.436 -2.777 1.00 12.45 H new ATOM 0 HG23 THR A 107 28.397 -3.984 -1.112 1.00 12.45 H new ATOM 1581 N GLU A 108 23.657 -5.545 -1.907 1.00 72.22 N ATOM 1582 CA GLU A 108 22.377 -6.181 -1.628 1.00 31.33 C ATOM 1583 C GLU A 108 22.502 -7.240 -0.555 1.00 13.53 C ATOM 1584 O GLU A 108 21.651 -7.373 0.300 1.00 32.52 O ATOM 1585 CB GLU A 108 21.697 -6.776 -2.847 1.00 2.04 C ATOM 1586 CG GLU A 108 20.536 -7.636 -2.405 1.00 24.42 C ATOM 1587 CD GLU A 108 19.684 -8.197 -3.516 1.00 21.24 C ATOM 1588 OE1 GLU A 108 18.921 -7.434 -4.126 1.00 13.31 O ATOM 1589 OE2 GLU A 108 19.754 -9.406 -3.759 1.00 34.05 O ATOM 0 H GLU A 108 23.986 -5.631 -2.869 1.00 72.22 H new ATOM 0 HA GLU A 108 21.741 -5.369 -1.274 1.00 31.33 H new ATOM 0 HB2 GLU A 108 21.345 -5.981 -3.505 1.00 2.04 H new ATOM 0 HB3 GLU A 108 22.408 -7.372 -3.419 1.00 2.04 H new ATOM 0 HG2 GLU A 108 20.925 -8.466 -1.815 1.00 24.42 H new ATOM 0 HG3 GLU A 108 19.900 -7.046 -1.745 1.00 24.42 H new ATOM 1596 N THR A 109 23.570 -7.954 -0.591 1.00 72.35 N ATOM 1597 CA THR A 109 23.840 -8.979 0.361 1.00 72.13 C ATOM 1598 C THR A 109 23.838 -8.415 1.824 1.00 44.04 C ATOM 1599 O THR A 109 23.603 -9.167 2.785 1.00 31.33 O ATOM 1600 CB THR A 109 25.173 -9.576 -0.015 1.00 41.32 C ATOM 1601 OG1 THR A 109 25.085 -10.066 -1.365 1.00 2.25 O ATOM 1602 CG2 THR A 109 25.639 -10.674 0.931 1.00 65.20 C ATOM 0 H THR A 109 24.298 -7.842 -1.297 1.00 72.35 H new ATOM 0 HA THR A 109 23.064 -9.744 0.344 1.00 72.13 H new ATOM 0 HB THR A 109 25.926 -8.792 0.065 1.00 41.32 H new ATOM 0 HG1 THR A 109 25.944 -10.457 -1.628 1.00 2.25 H new ATOM 0 HG21 THR A 109 26.604 -11.056 0.598 1.00 65.20 H new ATOM 0 HG22 THR A 109 25.737 -10.269 1.938 1.00 65.20 H new ATOM 0 HG23 THR A 109 24.910 -11.484 0.935 1.00 65.20 H new ATOM 1610 N ASP A 110 24.099 -7.111 1.953 1.00 11.32 N ATOM 1611 CA ASP A 110 24.009 -6.378 3.222 1.00 2.30 C ATOM 1612 C ASP A 110 22.519 -6.021 3.454 1.00 10.34 C ATOM 1613 O ASP A 110 21.937 -6.313 4.494 1.00 61.44 O ATOM 1614 CB ASP A 110 24.863 -5.097 3.103 1.00 13.23 C ATOM 1615 CG ASP A 110 25.057 -4.334 4.393 1.00 32.23 C ATOM 1616 OD1 ASP A 110 24.276 -3.412 4.694 1.00 63.31 O ATOM 1617 OD2 ASP A 110 26.068 -4.576 5.091 1.00 32.30 O ATOM 0 H ASP A 110 24.383 -6.525 1.168 1.00 11.32 H new ATOM 0 HA ASP A 110 24.376 -6.971 4.059 1.00 2.30 H new ATOM 0 HB2 ASP A 110 25.842 -5.367 2.708 1.00 13.23 H new ATOM 0 HB3 ASP A 110 24.397 -4.435 2.374 1.00 13.23 H new ATOM 1622 N MET A 111 21.914 -5.465 2.398 1.00 62.54 N ATOM 1623 CA MET A 111 20.484 -5.039 2.333 1.00 73.11 C ATOM 1624 C MET A 111 19.482 -6.151 2.708 1.00 3.31 C ATOM 1625 O MET A 111 18.697 -5.976 3.634 1.00 70.33 O ATOM 1626 CB MET A 111 20.168 -4.553 0.919 1.00 32.31 C ATOM 1627 CG MET A 111 20.853 -3.259 0.535 1.00 25.13 C ATOM 1628 SD MET A 111 21.131 -3.086 -1.245 1.00 1.55 S ATOM 1629 CE MET A 111 19.524 -3.458 -1.921 1.00 3.44 C ATOM 0 H MET A 111 22.412 -5.287 1.526 1.00 62.54 H new ATOM 0 HA MET A 111 20.367 -4.245 3.070 1.00 73.11 H new ATOM 0 HB2 MET A 111 20.457 -5.328 0.209 1.00 32.31 H new ATOM 0 HB3 MET A 111 19.090 -4.421 0.826 1.00 32.31 H new ATOM 0 HG2 MET A 111 20.249 -2.421 0.883 1.00 25.13 H new ATOM 0 HG3 MET A 111 21.811 -3.198 1.051 1.00 25.13 H new ATOM 0 HE1 MET A 111 19.335 -2.818 -2.783 1.00 3.44 H new ATOM 0 HE2 MET A 111 19.493 -4.502 -2.231 1.00 3.44 H new ATOM 0 HE3 MET A 111 18.761 -3.281 -1.163 1.00 3.44 H new ATOM 1639 N GLN A 112 19.508 -7.283 1.956 1.00 2.10 N ATOM 1640 CA GLN A 112 18.589 -8.453 2.173 1.00 43.32 C ATOM 1641 C GLN A 112 18.696 -8.849 3.597 1.00 75.42 C ATOM 1642 O GLN A 112 17.722 -9.065 4.309 1.00 72.50 O ATOM 1643 CB GLN A 112 19.107 -9.707 1.445 1.00 70.30 C ATOM 1644 CG GLN A 112 19.490 -9.573 0.012 1.00 71.24 C ATOM 1645 CD GLN A 112 20.370 -10.746 -0.427 1.00 11.50 C ATOM 1646 OE1 GLN A 112 21.103 -11.334 0.402 1.00 22.44 O ATOM 1647 NE2 GLN A 112 20.394 -11.038 -1.698 1.00 51.04 N ATOM 0 H GLN A 112 20.160 -7.419 1.184 1.00 2.10 H new ATOM 0 HA GLN A 112 17.595 -8.157 1.838 1.00 43.32 H new ATOM 0 HB2 GLN A 112 19.976 -10.075 1.990 1.00 70.30 H new ATOM 0 HB3 GLN A 112 18.338 -10.476 1.515 1.00 70.30 H new ATOM 0 HG2 GLN A 112 18.593 -9.534 -0.607 1.00 71.24 H new ATOM 0 HG3 GLN A 112 20.024 -8.635 -0.140 1.00 71.24 H new ATOM 0 HE21 GLN A 112 19.784 -10.541 -2.347 1.00 51.04 H new ATOM 0 HE22 GLN A 112 21.022 -11.764 -2.043 1.00 51.04 H new ATOM 1656 N LYS A 113 19.941 -8.923 3.971 1.00 40.14 N ATOM 1657 CA LYS A 113 20.382 -9.445 5.251 1.00 25.41 C ATOM 1658 C LYS A 113 19.793 -8.684 6.434 1.00 41.23 C ATOM 1659 O LYS A 113 19.474 -9.279 7.446 1.00 60.44 O ATOM 1660 CB LYS A 113 21.899 -9.421 5.289 1.00 53.41 C ATOM 1661 CG LYS A 113 22.564 -10.496 6.140 1.00 33.00 C ATOM 1662 CD LYS A 113 22.151 -11.925 5.716 1.00 13.41 C ATOM 1663 CE LYS A 113 22.226 -12.157 4.190 1.00 51.02 C ATOM 1664 NZ LYS A 113 23.544 -11.797 3.606 1.00 2.21 N ATOM 0 H LYS A 113 20.711 -8.613 3.378 1.00 40.14 H new ATOM 0 HA LYS A 113 20.020 -10.469 5.346 1.00 25.41 H new ATOM 0 HB2 LYS A 113 22.270 -9.513 4.268 1.00 53.41 H new ATOM 0 HB3 LYS A 113 22.218 -8.446 5.657 1.00 53.41 H new ATOM 0 HG2 LYS A 113 23.647 -10.397 6.065 1.00 33.00 H new ATOM 0 HG3 LYS A 113 22.302 -10.341 7.186 1.00 33.00 H new ATOM 0 HD2 LYS A 113 22.796 -12.646 6.218 1.00 13.41 H new ATOM 0 HD3 LYS A 113 21.133 -12.117 6.056 1.00 13.41 H new ATOM 0 HE2 LYS A 113 22.016 -13.205 3.978 1.00 51.02 H new ATOM 0 HE3 LYS A 113 21.447 -11.571 3.701 1.00 51.02 H new ATOM 0 HZ1 LYS A 113 23.802 -12.492 2.877 1.00 2.21 H new ATOM 0 HZ2 LYS A 113 23.487 -10.851 3.178 1.00 2.21 H new ATOM 0 HZ3 LYS A 113 24.266 -11.796 4.354 1.00 2.21 H new ATOM 1678 N ALA A 114 19.571 -7.402 6.266 1.00 61.30 N ATOM 1679 CA ALA A 114 19.052 -6.550 7.336 1.00 72.31 C ATOM 1680 C ALA A 114 17.539 -6.749 7.569 1.00 73.33 C ATOM 1681 O ALA A 114 16.884 -5.914 8.185 1.00 62.53 O ATOM 1682 CB ALA A 114 19.354 -5.106 7.018 1.00 1.45 C ATOM 0 H ALA A 114 19.741 -6.910 5.389 1.00 61.30 H new ATOM 0 HA ALA A 114 19.550 -6.837 8.262 1.00 72.31 H new ATOM 0 HB1 ALA A 114 18.968 -4.470 7.814 1.00 1.45 H new ATOM 0 HB2 ALA A 114 20.432 -4.970 6.935 1.00 1.45 H new ATOM 0 HB3 ALA A 114 18.880 -4.834 6.075 1.00 1.45 H new ATOM 1688 N GLY A 115 17.024 -7.883 7.119 1.00 25.24 N ATOM 1689 CA GLY A 115 15.617 -8.208 7.273 1.00 21.51 C ATOM 1690 C GLY A 115 14.711 -7.351 6.417 1.00 3.43 C ATOM 1691 O GLY A 115 13.581 -7.054 6.801 1.00 1.41 O ATOM 0 H GLY A 115 17.568 -8.600 6.639 1.00 25.24 H new ATOM 0 HA2 GLY A 115 15.463 -9.256 7.018 1.00 21.51 H new ATOM 0 HA3 GLY A 115 15.336 -8.090 8.319 1.00 21.51 H new ATOM 1695 N MET A 116 15.187 -6.976 5.254 1.00 63.30 N ATOM 1696 CA MET A 116 14.416 -6.122 4.377 1.00 24.03 C ATOM 1697 C MET A 116 13.534 -6.929 3.457 1.00 72.51 C ATOM 1698 O MET A 116 13.936 -7.976 2.941 1.00 45.13 O ATOM 1699 CB MET A 116 15.311 -5.174 3.575 1.00 33.22 C ATOM 1700 CG MET A 116 16.027 -4.137 4.426 1.00 51.33 C ATOM 1701 SD MET A 116 14.895 -3.055 5.331 1.00 63.30 S ATOM 1702 CE MET A 116 14.020 -2.221 4.003 1.00 22.54 C ATOM 0 H MET A 116 16.101 -7.247 4.892 1.00 63.30 H new ATOM 0 HA MET A 116 13.774 -5.512 5.013 1.00 24.03 H new ATOM 0 HB2 MET A 116 16.053 -5.761 3.034 1.00 33.22 H new ATOM 0 HB3 MET A 116 14.704 -4.661 2.829 1.00 33.22 H new ATOM 0 HG2 MET A 116 16.679 -4.646 5.136 1.00 51.33 H new ATOM 0 HG3 MET A 116 16.666 -3.529 3.786 1.00 51.33 H new ATOM 0 HE1 MET A 116 13.482 -1.363 4.405 1.00 22.54 H new ATOM 0 HE2 MET A 116 14.735 -1.882 3.253 1.00 22.54 H new ATOM 0 HE3 MET A 116 13.312 -2.911 3.544 1.00 22.54 H new ATOM 1712 N SER A 117 12.342 -6.450 3.256 1.00 50.42 N ATOM 1713 CA SER A 117 11.384 -7.083 2.416 1.00 11.25 C ATOM 1714 C SER A 117 11.711 -6.817 0.928 1.00 14.32 C ATOM 1715 O SER A 117 12.131 -5.707 0.569 1.00 61.41 O ATOM 1716 CB SER A 117 10.012 -6.551 2.820 1.00 61.41 C ATOM 1717 OG SER A 117 10.066 -5.136 2.961 1.00 55.01 O ATOM 0 H SER A 117 12.006 -5.587 3.685 1.00 50.42 H new ATOM 0 HA SER A 117 11.400 -8.166 2.536 1.00 11.25 H new ATOM 0 HB2 SER A 117 9.271 -6.823 2.068 1.00 61.41 H new ATOM 0 HB3 SER A 117 9.697 -7.007 3.758 1.00 61.41 H new ATOM 0 HG SER A 117 9.210 -4.747 2.685 1.00 55.01 H new ATOM 1723 N ALA A 118 11.521 -7.848 0.075 1.00 64.24 N ATOM 1724 CA ALA A 118 11.839 -7.790 -1.381 1.00 33.50 C ATOM 1725 C ALA A 118 11.264 -6.544 -2.050 1.00 62.31 C ATOM 1726 O ALA A 118 11.936 -5.891 -2.831 1.00 55.14 O ATOM 1727 CB ALA A 118 11.339 -9.046 -2.081 1.00 24.23 C ATOM 0 H ALA A 118 11.143 -8.748 0.371 1.00 64.24 H new ATOM 0 HA ALA A 118 12.924 -7.734 -1.473 1.00 33.50 H new ATOM 0 HB1 ALA A 118 11.578 -8.990 -3.143 1.00 24.23 H new ATOM 0 HB2 ALA A 118 11.821 -9.921 -1.646 1.00 24.23 H new ATOM 0 HB3 ALA A 118 10.259 -9.127 -1.956 1.00 24.23 H new ATOM 1733 N GLU A 119 10.034 -6.221 -1.683 1.00 61.43 N ATOM 1734 CA GLU A 119 9.315 -5.021 -2.137 1.00 54.03 C ATOM 1735 C GLU A 119 10.171 -3.751 -2.001 1.00 60.24 C ATOM 1736 O GLU A 119 10.228 -2.922 -2.908 1.00 25.12 O ATOM 1737 CB GLU A 119 8.052 -4.867 -1.285 1.00 72.14 C ATOM 1738 CG GLU A 119 8.304 -5.263 0.160 1.00 23.31 C ATOM 1739 CD GLU A 119 7.289 -4.788 1.143 1.00 74.13 C ATOM 1740 OE1 GLU A 119 6.139 -5.199 1.045 1.00 65.13 O ATOM 1741 OE2 GLU A 119 7.688 -4.016 2.056 1.00 74.34 O ATOM 0 H GLU A 119 9.485 -6.796 -1.044 1.00 61.43 H new ATOM 0 HA GLU A 119 9.071 -5.143 -3.192 1.00 54.03 H new ATOM 0 HB2 GLU A 119 7.708 -3.833 -1.326 1.00 72.14 H new ATOM 0 HB3 GLU A 119 7.255 -5.485 -1.699 1.00 72.14 H new ATOM 0 HG2 GLU A 119 8.357 -6.350 0.216 1.00 23.31 H new ATOM 0 HG3 GLU A 119 9.280 -4.880 0.458 1.00 23.31 H new ATOM 1748 N GLN A 120 10.857 -3.629 -0.884 1.00 40.24 N ATOM 1749 CA GLN A 120 11.642 -2.466 -0.619 1.00 31.33 C ATOM 1750 C GLN A 120 13.050 -2.650 -1.138 1.00 74.21 C ATOM 1751 O GLN A 120 13.673 -1.688 -1.586 1.00 43.01 O ATOM 1752 CB GLN A 120 11.614 -2.124 0.864 1.00 1.33 C ATOM 1753 CG GLN A 120 10.198 -1.885 1.376 1.00 21.51 C ATOM 1754 CD GLN A 120 10.134 -1.473 2.825 1.00 54.55 C ATOM 1755 OE1 GLN A 120 11.043 -0.827 3.340 1.00 42.42 O ATOM 1756 NE2 GLN A 120 9.081 -1.859 3.491 1.00 14.52 N ATOM 0 H GLN A 120 10.879 -4.333 -0.146 1.00 40.24 H new ATOM 0 HA GLN A 120 11.209 -1.618 -1.150 1.00 31.33 H new ATOM 0 HB2 GLN A 120 12.071 -2.936 1.430 1.00 1.33 H new ATOM 0 HB3 GLN A 120 12.217 -1.233 1.041 1.00 1.33 H new ATOM 0 HG2 GLN A 120 9.728 -1.112 0.768 1.00 21.51 H new ATOM 0 HG3 GLN A 120 9.615 -2.796 1.241 1.00 21.51 H new ATOM 0 HE21 GLN A 120 8.350 -2.394 3.023 1.00 14.52 H new ATOM 0 HE22 GLN A 120 8.989 -1.626 4.480 1.00 14.52 H new ATOM 1765 N ILE A 121 13.534 -3.899 -1.129 1.00 34.14 N ATOM 1766 CA ILE A 121 14.860 -4.226 -1.666 1.00 11.34 C ATOM 1767 C ILE A 121 14.968 -3.745 -3.102 1.00 30.53 C ATOM 1768 O ILE A 121 15.948 -3.082 -3.460 1.00 55.22 O ATOM 1769 CB ILE A 121 15.189 -5.754 -1.598 1.00 50.35 C ATOM 1770 CG1 ILE A 121 15.240 -6.230 -0.139 1.00 42.43 C ATOM 1771 CG2 ILE A 121 16.516 -6.063 -2.310 1.00 23.45 C ATOM 1772 CD1 ILE A 121 15.525 -7.712 0.023 1.00 42.31 C ATOM 0 H ILE A 121 13.026 -4.700 -0.755 1.00 34.14 H new ATOM 0 HA ILE A 121 15.589 -3.714 -1.038 1.00 11.34 H new ATOM 0 HB ILE A 121 14.394 -6.294 -2.112 1.00 50.35 H new ATOM 0 HG12 ILE A 121 16.007 -5.664 0.389 1.00 42.43 H new ATOM 0 HG13 ILE A 121 14.288 -6.000 0.340 1.00 42.43 H new ATOM 0 HG21 ILE A 121 16.722 -7.132 -2.248 1.00 23.45 H new ATOM 0 HG22 ILE A 121 16.445 -5.767 -3.357 1.00 23.45 H new ATOM 0 HG23 ILE A 121 17.324 -5.510 -1.831 1.00 23.45 H new ATOM 0 HD11 ILE A 121 15.544 -7.965 1.083 1.00 42.31 H new ATOM 0 HD12 ILE A 121 14.745 -8.289 -0.474 1.00 42.31 H new ATOM 0 HD13 ILE A 121 16.491 -7.948 -0.424 1.00 42.31 H new ATOM 1784 N GLU A 122 13.930 -4.012 -3.894 1.00 20.34 N ATOM 1785 CA GLU A 122 13.907 -3.581 -5.276 1.00 75.43 C ATOM 1786 C GLU A 122 13.923 -2.066 -5.380 1.00 45.32 C ATOM 1787 O GLU A 122 14.446 -1.532 -6.327 1.00 35.34 O ATOM 1788 CB GLU A 122 12.717 -4.140 -6.053 1.00 75.40 C ATOM 1789 CG GLU A 122 12.584 -5.653 -6.018 1.00 52.13 C ATOM 1790 CD GLU A 122 13.887 -6.386 -6.278 1.00 0.01 C ATOM 1791 OE1 GLU A 122 14.326 -6.465 -7.434 1.00 21.32 O ATOM 1792 OE2 GLU A 122 14.501 -6.891 -5.307 1.00 50.51 O ATOM 0 H GLU A 122 13.100 -4.524 -3.596 1.00 20.34 H new ATOM 0 HA GLU A 122 14.813 -3.983 -5.730 1.00 75.43 H new ATOM 0 HB2 GLU A 122 11.803 -3.700 -5.655 1.00 75.40 H new ATOM 0 HB3 GLU A 122 12.798 -3.821 -7.092 1.00 75.40 H new ATOM 0 HG2 GLU A 122 12.197 -5.952 -5.044 1.00 52.13 H new ATOM 0 HG3 GLU A 122 11.849 -5.962 -6.762 1.00 52.13 H new ATOM 1799 N TYR A 123 13.386 -1.368 -4.373 1.00 13.22 N ATOM 1800 CA TYR A 123 13.420 0.082 -4.388 1.00 11.11 C ATOM 1801 C TYR A 123 14.850 0.541 -4.208 1.00 11.10 C ATOM 1802 O TYR A 123 15.376 1.302 -5.017 1.00 11.30 O ATOM 1803 CB TYR A 123 12.492 0.709 -3.300 1.00 41.43 C ATOM 1804 CG TYR A 123 12.908 2.125 -2.896 1.00 63.44 C ATOM 1805 CD1 TYR A 123 12.734 3.215 -3.748 1.00 41.14 C ATOM 1806 CD2 TYR A 123 13.535 2.346 -1.672 1.00 44.25 C ATOM 1807 CE1 TYR A 123 13.185 4.477 -3.389 1.00 72.44 C ATOM 1808 CE2 TYR A 123 13.968 3.597 -1.305 1.00 64.22 C ATOM 1809 CZ TYR A 123 13.800 4.657 -2.164 1.00 52.11 C ATOM 1810 OH TYR A 123 14.283 5.883 -1.807 1.00 42.05 O ATOM 0 H TYR A 123 12.934 -1.781 -3.557 1.00 13.22 H new ATOM 0 HA TYR A 123 13.039 0.425 -5.350 1.00 11.11 H new ATOM 0 HB2 TYR A 123 11.468 0.731 -3.674 1.00 41.43 H new ATOM 0 HB3 TYR A 123 12.496 0.070 -2.417 1.00 41.43 H new ATOM 0 HD1 TYR A 123 12.242 3.075 -4.699 1.00 41.14 H new ATOM 0 HD2 TYR A 123 13.684 1.516 -0.997 1.00 44.25 H new ATOM 0 HE1 TYR A 123 13.057 5.312 -4.061 1.00 72.44 H new ATOM 0 HE2 TYR A 123 14.439 3.747 -0.345 1.00 64.22 H new ATOM 0 HH TYR A 123 14.668 5.833 -0.907 1.00 42.05 H new ATOM 1820 N VAL A 124 15.482 0.017 -3.177 1.00 71.00 N ATOM 1821 CA VAL A 124 16.844 0.373 -2.823 1.00 12.35 C ATOM 1822 C VAL A 124 17.775 0.082 -3.999 1.00 52.52 C ATOM 1823 O VAL A 124 18.542 0.914 -4.411 1.00 25.33 O ATOM 1824 CB VAL A 124 17.313 -0.425 -1.575 1.00 3.41 C ATOM 1825 CG1 VAL A 124 18.716 -0.022 -1.148 1.00 12.33 C ATOM 1826 CG2 VAL A 124 16.335 -0.262 -0.418 1.00 25.43 C ATOM 0 H VAL A 124 15.062 -0.674 -2.555 1.00 71.00 H new ATOM 0 HA VAL A 124 16.874 1.437 -2.587 1.00 12.35 H new ATOM 0 HB VAL A 124 17.338 -1.478 -1.857 1.00 3.41 H new ATOM 0 HG11 VAL A 124 19.010 -0.601 -0.272 1.00 12.33 H new ATOM 0 HG12 VAL A 124 19.414 -0.216 -1.962 1.00 12.33 H new ATOM 0 HG13 VAL A 124 18.731 1.040 -0.903 1.00 12.33 H new ATOM 0 HG21 VAL A 124 16.690 -0.832 0.441 1.00 25.43 H new ATOM 0 HG22 VAL A 124 16.262 0.792 -0.149 1.00 25.43 H new ATOM 0 HG23 VAL A 124 15.353 -0.630 -0.717 1.00 25.43 H new ATOM 1836 N LYS A 125 17.594 -1.063 -4.572 1.00 33.14 N ATOM 1837 CA LYS A 125 18.397 -1.552 -5.672 1.00 45.52 C ATOM 1838 C LYS A 125 18.073 -0.826 -7.005 1.00 54.02 C ATOM 1839 O LYS A 125 18.816 -0.935 -7.974 1.00 41.55 O ATOM 1840 CB LYS A 125 18.150 -3.058 -5.746 1.00 35.03 C ATOM 1841 CG LYS A 125 18.831 -3.849 -6.847 1.00 22.23 C ATOM 1842 CD LYS A 125 18.682 -5.347 -6.574 1.00 74.55 C ATOM 1843 CE LYS A 125 17.227 -5.732 -6.368 1.00 0.14 C ATOM 1844 NZ LYS A 125 17.056 -7.134 -5.958 1.00 72.11 N ATOM 0 H LYS A 125 16.862 -1.713 -4.286 1.00 33.14 H new ATOM 0 HA LYS A 125 19.454 -1.346 -5.504 1.00 45.52 H new ATOM 0 HB2 LYS A 125 18.451 -3.491 -4.792 1.00 35.03 H new ATOM 0 HB3 LYS A 125 17.075 -3.214 -5.842 1.00 35.03 H new ATOM 0 HG2 LYS A 125 18.391 -3.600 -7.812 1.00 22.23 H new ATOM 0 HG3 LYS A 125 19.887 -3.582 -6.900 1.00 22.23 H new ATOM 0 HD2 LYS A 125 19.095 -5.913 -7.409 1.00 74.55 H new ATOM 0 HD3 LYS A 125 19.260 -5.616 -5.690 1.00 74.55 H new ATOM 0 HE2 LYS A 125 16.789 -5.082 -5.611 1.00 0.14 H new ATOM 0 HE3 LYS A 125 16.677 -5.560 -7.293 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 16.088 -7.277 -5.606 1.00 72.11 H new ATOM 0 HZ2 LYS A 125 17.224 -7.757 -6.774 1.00 72.11 H new ATOM 0 HZ3 LYS A 125 17.736 -7.361 -5.204 1.00 72.11 H new ATOM 1858 N ALA A 126 16.968 -0.089 -7.042 1.00 64.32 N ATOM 1859 CA ALA A 126 16.586 0.625 -8.253 1.00 51.53 C ATOM 1860 C ALA A 126 16.951 2.116 -8.168 1.00 63.43 C ATOM 1861 O ALA A 126 17.284 2.740 -9.169 1.00 30.34 O ATOM 1862 CB ALA A 126 15.096 0.437 -8.543 1.00 24.44 C ATOM 0 H ALA A 126 16.328 0.029 -6.256 1.00 64.32 H new ATOM 0 HA ALA A 126 17.151 0.200 -9.083 1.00 51.53 H new ATOM 0 HB1 ALA A 126 14.831 0.978 -9.451 1.00 24.44 H new ATOM 0 HB2 ALA A 126 14.882 -0.623 -8.677 1.00 24.44 H new ATOM 0 HB3 ALA A 126 14.511 0.822 -7.708 1.00 24.44 H new ATOM 1868 N ASN A 127 16.869 2.670 -6.969 1.00 64.12 N ATOM 1869 CA ASN A 127 17.168 4.095 -6.736 1.00 13.10 C ATOM 1870 C ASN A 127 18.663 4.291 -6.478 1.00 13.30 C ATOM 1871 O ASN A 127 19.254 5.305 -6.849 1.00 50.21 O ATOM 1872 CB ASN A 127 16.327 4.612 -5.542 1.00 2.33 C ATOM 1873 CG ASN A 127 16.532 6.095 -5.200 1.00 44.11 C ATOM 1874 OD1 ASN A 127 16.843 6.923 -6.057 1.00 44.13 O ATOM 1875 ND2 ASN A 127 16.302 6.439 -3.953 1.00 21.54 N ATOM 0 H ASN A 127 16.597 2.159 -6.129 1.00 64.12 H new ATOM 0 HA ASN A 127 16.905 4.669 -7.625 1.00 13.10 H new ATOM 0 HB2 ASN A 127 15.272 4.447 -5.761 1.00 2.33 H new ATOM 0 HB3 ASN A 127 16.567 4.015 -4.662 1.00 2.33 H new ATOM 0 HD21 ASN A 127 16.379 7.416 -3.671 1.00 21.54 H new ATOM 0 HD22 ASN A 127 16.046 5.729 -3.267 1.00 21.54 H new ATOM 1882 N LEU A 128 19.271 3.309 -5.863 1.00 5.15 N ATOM 1883 CA LEU A 128 20.680 3.359 -5.570 1.00 12.33 C ATOM 1884 C LEU A 128 21.436 2.622 -6.664 1.00 55.22 C ATOM 1885 O LEU A 128 21.180 1.452 -6.907 1.00 42.51 O ATOM 1886 CB LEU A 128 21.002 2.720 -4.203 1.00 63.14 C ATOM 1887 CG LEU A 128 20.555 3.448 -2.911 1.00 51.21 C ATOM 1888 CD1 LEU A 128 19.045 3.623 -2.804 1.00 0.43 C ATOM 1889 CD2 LEU A 128 21.076 2.696 -1.714 1.00 70.14 C ATOM 0 H LEU A 128 18.806 2.456 -5.553 1.00 5.15 H new ATOM 0 HA LEU A 128 20.985 4.405 -5.528 1.00 12.33 H new ATOM 0 HB2 LEU A 128 20.556 1.725 -4.191 1.00 63.14 H new ATOM 0 HB3 LEU A 128 22.082 2.586 -4.148 1.00 63.14 H new ATOM 0 HG LEU A 128 20.975 4.453 -2.947 1.00 51.21 H new ATOM 0 HD11 LEU A 128 18.804 4.140 -1.875 1.00 0.43 H new ATOM 0 HD12 LEU A 128 18.686 4.209 -3.650 1.00 0.43 H new ATOM 0 HD13 LEU A 128 18.564 2.645 -2.810 1.00 0.43 H new ATOM 0 HD21 LEU A 128 20.764 3.204 -0.801 1.00 70.14 H new ATOM 0 HD22 LEU A 128 20.677 1.682 -1.719 1.00 70.14 H new ATOM 0 HD23 LEU A 128 22.165 2.657 -1.754 1.00 70.14 H new ATOM 1901 N PRO A 129 22.358 3.287 -7.353 1.00 13.41 N ATOM 1902 CA PRO A 129 23.110 2.675 -8.415 1.00 3.42 C ATOM 1903 C PRO A 129 24.414 2.046 -7.916 1.00 41.41 C ATOM 1904 O PRO A 129 24.780 2.176 -6.736 1.00 55.22 O ATOM 1905 CB PRO A 129 23.402 3.855 -9.342 1.00 53.14 C ATOM 1906 CG PRO A 129 23.424 5.066 -8.453 1.00 53.33 C ATOM 1907 CD PRO A 129 22.736 4.690 -7.158 1.00 30.11 C ATOM 0 HA PRO A 129 22.570 1.857 -8.891 1.00 3.42 H new ATOM 0 HB2 PRO A 129 24.356 3.726 -9.853 1.00 53.14 H new ATOM 0 HB3 PRO A 129 22.637 3.948 -10.113 1.00 53.14 H new ATOM 0 HG2 PRO A 129 24.449 5.385 -8.264 1.00 53.33 H new ATOM 0 HG3 PRO A 129 22.913 5.902 -8.930 1.00 53.33 H new ATOM 0 HD2 PRO A 129 23.401 4.809 -6.303 1.00 30.11 H new ATOM 0 HD3 PRO A 129 21.864 5.317 -6.973 1.00 30.11 H new ATOM 1915 N GLN A 130 25.108 1.381 -8.815 1.00 43.04 N ATOM 1916 CA GLN A 130 26.369 0.751 -8.501 1.00 23.31 C ATOM 1917 C GLN A 130 27.491 1.771 -8.523 1.00 22.33 C ATOM 1918 O GLN A 130 27.780 2.380 -9.552 1.00 12.32 O ATOM 1919 CB GLN A 130 26.660 -0.404 -9.459 1.00 14.33 C ATOM 1920 CG GLN A 130 25.721 -1.590 -9.295 1.00 35.02 C ATOM 1921 CD GLN A 130 25.988 -2.694 -10.297 1.00 24.45 C ATOM 1922 OE1 GLN A 130 26.405 -2.449 -11.415 1.00 63.21 O ATOM 1923 NE2 GLN A 130 25.775 -3.921 -9.892 1.00 33.12 N ATOM 0 H GLN A 130 24.812 1.263 -9.784 1.00 43.04 H new ATOM 0 HA GLN A 130 26.302 0.337 -7.495 1.00 23.31 H new ATOM 0 HB2 GLN A 130 26.594 -0.039 -10.484 1.00 14.33 H new ATOM 0 HB3 GLN A 130 27.685 -0.741 -9.306 1.00 14.33 H new ATOM 0 HG2 GLN A 130 25.821 -1.990 -8.286 1.00 35.02 H new ATOM 0 HG3 GLN A 130 24.691 -1.250 -9.402 1.00 35.02 H new ATOM 0 HE21 GLN A 130 25.425 -4.093 -8.949 1.00 33.12 H new ATOM 0 HE22 GLN A 130 25.959 -4.704 -10.519 1.00 33.12 H new ATOM 1973 N GLY A 134 28.318 -2.574 -5.107 1.00 52.00 N ATOM 1974 CA GLY A 134 27.172 -2.356 -4.290 1.00 75.12 C ATOM 1975 C GLY A 134 26.254 -1.270 -4.792 1.00 72.02 C ATOM 1976 O GLY A 134 26.130 -1.039 -5.996 1.00 20.33 O ATOM 0 HA2 GLY A 134 26.610 -3.287 -4.216 1.00 75.12 H new ATOM 0 HA3 GLY A 134 27.501 -2.102 -3.282 1.00 75.12 H new ATOM 1980 N TYR A 135 25.609 -0.632 -3.863 1.00 63.04 N ATOM 1981 CA TYR A 135 24.625 0.379 -4.104 1.00 54.11 C ATOM 1982 C TYR A 135 24.968 1.606 -3.275 1.00 72.25 C ATOM 1983 O TYR A 135 25.416 1.486 -2.138 1.00 73.44 O ATOM 1984 CB TYR A 135 23.242 -0.200 -3.737 1.00 44.55 C ATOM 1985 CG TYR A 135 22.884 -1.385 -4.610 1.00 21.32 C ATOM 1986 CD1 TYR A 135 22.429 -1.204 -5.905 1.00 2.31 C ATOM 1987 CD2 TYR A 135 23.065 -2.688 -4.158 1.00 44.41 C ATOM 1988 CE1 TYR A 135 22.154 -2.279 -6.721 1.00 43.41 C ATOM 1989 CE2 TYR A 135 22.806 -3.766 -4.971 1.00 55.00 C ATOM 1990 CZ TYR A 135 22.349 -3.558 -6.251 1.00 3.22 C ATOM 1991 OH TYR A 135 22.094 -4.635 -7.069 1.00 24.23 O ATOM 0 H TYR A 135 25.762 -0.811 -2.870 1.00 63.04 H new ATOM 0 HA TYR A 135 24.606 0.681 -5.151 1.00 54.11 H new ATOM 0 HB2 TYR A 135 23.241 -0.505 -2.690 1.00 44.55 H new ATOM 0 HB3 TYR A 135 22.483 0.574 -3.844 1.00 44.55 H new ATOM 0 HD1 TYR A 135 22.287 -0.202 -6.282 1.00 2.31 H new ATOM 0 HD2 TYR A 135 23.415 -2.856 -3.150 1.00 44.41 H new ATOM 0 HE1 TYR A 135 21.787 -2.119 -7.724 1.00 43.41 H new ATOM 0 HE2 TYR A 135 22.961 -4.771 -4.606 1.00 55.00 H new ATOM 0 HH TYR A 135 22.284 -5.466 -6.585 1.00 24.23 H new ATOM 2001 N ASP A 136 24.807 2.755 -3.853 1.00 61.23 N ATOM 2002 CA ASP A 136 25.181 4.014 -3.209 1.00 52.12 C ATOM 2003 C ASP A 136 24.030 4.671 -2.465 1.00 50.22 C ATOM 2004 O ASP A 136 23.129 5.251 -3.084 1.00 0.50 O ATOM 2005 CB ASP A 136 25.716 4.973 -4.256 1.00 24.00 C ATOM 2006 CG ASP A 136 25.968 6.351 -3.702 1.00 73.22 C ATOM 2007 OD1 ASP A 136 26.690 6.471 -2.707 1.00 55.23 O ATOM 2008 OD2 ASP A 136 25.426 7.307 -4.231 1.00 3.11 O ATOM 0 H ASP A 136 24.413 2.866 -4.787 1.00 61.23 H new ATOM 0 HA ASP A 136 25.945 3.778 -2.468 1.00 52.12 H new ATOM 0 HB2 ASP A 136 26.644 4.575 -4.668 1.00 24.00 H new ATOM 0 HB3 ASP A 136 25.005 5.040 -5.079 1.00 24.00 H new ATOM 2013 N TYR A 137 24.055 4.646 -1.126 1.00 60.44 N ATOM 2014 CA TYR A 137 22.946 5.255 -0.392 1.00 50.43 C ATOM 2015 C TYR A 137 23.092 6.760 -0.330 1.00 11.31 C ATOM 2016 O TYR A 137 22.230 7.460 0.188 1.00 20.20 O ATOM 2017 CB TYR A 137 22.665 4.638 1.004 1.00 2.11 C ATOM 2018 CG TYR A 137 23.587 5.042 2.129 1.00 12.42 C ATOM 2019 CD1 TYR A 137 24.717 4.323 2.409 1.00 62.14 C ATOM 2020 CD2 TYR A 137 23.289 6.140 2.939 1.00 41.25 C ATOM 2021 CE1 TYR A 137 25.541 4.673 3.447 1.00 11.12 C ATOM 2022 CE2 TYR A 137 24.106 6.497 3.988 1.00 51.34 C ATOM 2023 CZ TYR A 137 25.234 5.761 4.237 1.00 2.23 C ATOM 2024 OH TYR A 137 26.051 6.094 5.293 1.00 75.43 O ATOM 0 H TYR A 137 24.792 4.232 -0.555 1.00 60.44 H new ATOM 0 HA TYR A 137 22.055 5.016 -0.972 1.00 50.43 H new ATOM 0 HB2 TYR A 137 21.646 4.898 1.291 1.00 2.11 H new ATOM 0 HB3 TYR A 137 22.702 3.553 0.909 1.00 2.11 H new ATOM 0 HD1 TYR A 137 24.964 3.465 1.802 1.00 62.14 H new ATOM 0 HD2 TYR A 137 22.400 6.720 2.739 1.00 41.25 H new ATOM 0 HE1 TYR A 137 26.432 4.096 3.646 1.00 11.12 H new ATOM 0 HE2 TYR A 137 23.860 7.347 4.607 1.00 51.34 H new ATOM 0 HH TYR A 137 26.956 5.757 5.125 1.00 75.43 H new ATOM 2034 N ALA A 138 24.163 7.265 -0.889 1.00 55.20 N ATOM 2035 CA ALA A 138 24.325 8.674 -1.006 1.00 35.04 C ATOM 2036 C ALA A 138 23.380 9.174 -2.125 1.00 41.35 C ATOM 2037 O ALA A 138 22.908 10.329 -2.110 1.00 22.22 O ATOM 2038 CB ALA A 138 25.791 9.028 -1.237 1.00 65.21 C ATOM 0 H ALA A 138 24.932 6.712 -1.268 1.00 55.20 H new ATOM 0 HA ALA A 138 24.049 9.182 -0.082 1.00 35.04 H new ATOM 0 HB1 ALA A 138 25.895 10.110 -1.324 1.00 65.21 H new ATOM 0 HB2 ALA A 138 26.388 8.673 -0.397 1.00 65.21 H new ATOM 0 HB3 ALA A 138 26.139 8.555 -2.155 1.00 65.21 H new ATOM 2044 N ALA A 139 23.015 8.250 -3.044 1.00 50.43 N ATOM 2045 CA ALA A 139 22.036 8.538 -4.083 1.00 14.50 C ATOM 2046 C ALA A 139 20.669 8.631 -3.456 1.00 32.42 C ATOM 2047 O ALA A 139 19.777 9.281 -3.972 1.00 65.33 O ATOM 2048 CB ALA A 139 22.026 7.457 -5.134 1.00 44.34 C ATOM 0 H ALA A 139 23.392 7.303 -3.075 1.00 50.43 H new ATOM 0 HA ALA A 139 22.303 9.481 -4.561 1.00 14.50 H new ATOM 0 HB1 ALA A 139 21.286 7.698 -5.897 1.00 44.34 H new ATOM 0 HB2 ALA A 139 23.012 7.388 -5.594 1.00 44.34 H new ATOM 0 HB3 ALA A 139 21.773 6.503 -4.672 1.00 44.34 H new ATOM 2054 N TRP A 140 20.535 7.977 -2.325 1.00 41.43 N ATOM 2055 CA TRP A 140 19.326 7.999 -1.539 1.00 3.42 C ATOM 2056 C TRP A 140 19.219 9.340 -0.798 1.00 2.23 C ATOM 2057 O TRP A 140 18.140 9.845 -0.544 1.00 64.02 O ATOM 2058 CB TRP A 140 19.324 6.809 -0.576 1.00 35.54 C ATOM 2059 CG TRP A 140 18.210 6.830 0.390 1.00 74.32 C ATOM 2060 CD1 TRP A 140 16.910 6.563 0.131 1.00 31.45 C ATOM 2061 CD2 TRP A 140 18.300 7.147 1.775 1.00 23.35 C ATOM 2062 NE1 TRP A 140 16.171 6.703 1.277 1.00 35.10 N ATOM 2063 CE2 TRP A 140 17.005 7.062 2.304 1.00 60.32 C ATOM 2064 CE3 TRP A 140 19.360 7.502 2.619 1.00 60.40 C ATOM 2065 CZ2 TRP A 140 16.731 7.314 3.642 1.00 4.11 C ATOM 2066 CZ3 TRP A 140 19.089 7.753 3.949 1.00 64.42 C ATOM 2067 CH2 TRP A 140 17.784 7.659 4.449 1.00 31.21 C ATOM 0 H TRP A 140 21.276 7.406 -1.920 1.00 41.43 H new ATOM 0 HA TRP A 140 18.452 7.907 -2.184 1.00 3.42 H new ATOM 0 HB2 TRP A 140 19.275 5.886 -1.153 1.00 35.54 H new ATOM 0 HB3 TRP A 140 20.267 6.794 -0.029 1.00 35.54 H new ATOM 0 HD1 TRP A 140 16.514 6.282 -0.833 1.00 31.45 H new ATOM 0 HE1 TRP A 140 15.164 6.563 1.353 1.00 35.10 H new ATOM 0 HE3 TRP A 140 20.368 7.578 2.237 1.00 60.40 H new ATOM 0 HZ2 TRP A 140 15.726 7.241 4.032 1.00 4.11 H new ATOM 0 HZ3 TRP A 140 19.895 8.026 4.614 1.00 64.42 H new ATOM 0 HH2 TRP A 140 17.603 7.863 5.494 1.00 31.21 H new