USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 731 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 7 HIS : no HE2:sc= 0.369 K(o=0.77,f=-0.054) USER MOD Set 1.2: A 9 SER OG : rot 124:sc= 0.406 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.144 (180deg=-0.722) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.3 (180deg=0.388) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.55) USER MOD Single : A 5 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.047) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.18) USER MOD Single : A 10 HIS : no HD1:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 18 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.8) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.224! C(o=-0.22!,f=-6.4!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 167:sc= -0.307 (180deg=-0.785) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.0753 (180deg=-0.532) USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= -2.33! (180deg=-6.13!) USER MOD Single : A 50 CYS SG : rot 72:sc= 1.03 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 178:sc= -1.93 (180deg=-1.98) USER MOD Single : A 62 TYR OH : rot 52:sc= 1.21 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -14:sc= 0.907 USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 0.257 (180deg=-0.265!) USER MOD Single : A 73 SER OG : rot -38:sc= 0.149 USER MOD Single : A 76 SER OG : rot 54:sc= 1.19 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.843 5.007 -22.877 1.00 22.12 N ATOM 2 CA MET A 1 -18.452 4.653 -21.576 1.00 74.52 C ATOM 3 C MET A 1 -18.516 3.140 -21.420 1.00 43.15 C ATOM 4 O MET A 1 -19.447 2.497 -21.906 1.00 4.35 O ATOM 5 CB MET A 1 -19.866 5.239 -21.447 1.00 20.15 C ATOM 6 CG MET A 1 -19.920 6.759 -21.482 1.00 34.34 C ATOM 7 SD MET A 1 -19.560 7.452 -23.111 1.00 61.23 S ATOM 8 CE MET A 1 -20.933 6.807 -24.067 1.00 32.01 C ATOM 0 H1 MET A 1 -18.295 5.867 -23.249 1.00 22.12 H new ATOM 0 H2 MET A 1 -16.825 5.178 -22.749 1.00 22.12 H new ATOM 0 H3 MET A 1 -17.980 4.225 -23.549 1.00 22.12 H new ATOM 0 HA MET A 1 -17.827 5.076 -20.790 1.00 74.52 H new ATOM 0 HB2 MET A 1 -20.484 4.847 -22.254 1.00 20.15 H new ATOM 0 HB3 MET A 1 -20.306 4.893 -20.512 1.00 20.15 H new ATOM 0 HG2 MET A 1 -20.910 7.087 -21.166 1.00 34.34 H new ATOM 0 HG3 MET A 1 -19.207 7.157 -20.760 1.00 34.34 H new ATOM 0 HE1 MET A 1 -21.084 7.427 -24.951 1.00 32.01 H new ATOM 0 HE2 MET A 1 -20.714 5.785 -24.374 1.00 32.01 H new ATOM 0 HE3 MET A 1 -21.837 6.817 -23.458 1.00 32.01 H new ATOM 20 N GLY A 2 -17.515 2.573 -20.764 1.00 41.22 N ATOM 21 CA GLY A 2 -17.498 1.142 -20.534 1.00 75.21 C ATOM 22 C GLY A 2 -16.103 0.615 -20.284 1.00 21.51 C ATOM 23 O GLY A 2 -15.515 -0.034 -21.147 1.00 14.14 O ATOM 0 H GLY A 2 -16.713 3.078 -20.386 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -18.131 0.907 -19.678 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -17.927 0.633 -21.397 1.00 75.21 H new ATOM 27 N HIS A 3 -15.563 0.905 -19.110 1.00 53.04 N ATOM 28 CA HIS A 3 -14.238 0.425 -18.737 1.00 33.45 C ATOM 29 C HIS A 3 -14.314 -0.966 -18.135 1.00 12.45 C ATOM 30 O HIS A 3 -15.069 -1.203 -17.192 1.00 32.01 O ATOM 31 CB HIS A 3 -13.572 1.364 -17.724 1.00 13.30 C ATOM 32 CG HIS A 3 -13.186 2.699 -18.278 1.00 55.53 C ATOM 33 ND1 HIS A 3 -13.575 3.887 -17.702 1.00 21.41 N ATOM 34 CD2 HIS A 3 -12.412 3.031 -19.337 1.00 43.44 C ATOM 35 CE1 HIS A 3 -13.057 4.893 -18.378 1.00 74.43 C ATOM 36 NE2 HIS A 3 -12.349 4.401 -19.375 1.00 55.12 N ATOM 0 H HIS A 3 -16.022 1.472 -18.397 1.00 53.04 H new ATOM 0 HA HIS A 3 -13.641 0.397 -19.649 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -14.252 1.515 -16.886 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -12.681 0.877 -17.328 1.00 13.30 H new ATOM 0 HD2 HIS A 3 -11.934 2.347 -20.023 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -13.190 5.941 -18.153 1.00 74.43 H new ATOM 0 HE2 HIS A 3 -11.836 4.951 -20.064 1.00 55.12 H new ATOM 45 N HIS A 4 -13.537 -1.887 -18.680 1.00 53.41 N ATOM 46 CA HIS A 4 -13.384 -3.198 -18.071 1.00 63.41 C ATOM 47 C HIS A 4 -11.926 -3.398 -17.665 1.00 43.01 C ATOM 48 O HIS A 4 -11.091 -3.861 -18.443 1.00 74.43 O ATOM 49 CB HIS A 4 -13.899 -4.330 -18.987 1.00 52.24 C ATOM 50 CG HIS A 4 -13.181 -4.487 -20.299 1.00 71.32 C ATOM 51 ND1 HIS A 4 -12.289 -5.509 -20.544 1.00 70.13 N ATOM 52 CD2 HIS A 4 -13.243 -3.767 -21.443 1.00 1.24 C ATOM 53 CE1 HIS A 4 -11.834 -5.409 -21.778 1.00 12.34 C ATOM 54 NE2 HIS A 4 -12.397 -4.362 -22.346 1.00 25.23 N ATOM 0 H HIS A 4 -13.004 -1.752 -19.539 1.00 53.41 H new ATOM 0 HA HIS A 4 -14.004 -3.244 -17.176 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -13.832 -5.272 -18.442 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -14.955 -4.155 -19.191 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -13.846 -2.888 -21.614 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -11.121 -6.073 -22.244 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -12.231 -4.045 -23.301 1.00 25.23 H new ATOM 63 N HIS A 5 -11.620 -2.981 -16.449 1.00 53.42 N ATOM 64 CA HIS A 5 -10.258 -3.015 -15.938 1.00 1.15 C ATOM 65 C HIS A 5 -10.054 -4.233 -15.042 1.00 4.32 C ATOM 66 O HIS A 5 -8.930 -4.560 -14.666 1.00 24.02 O ATOM 67 CB HIS A 5 -9.957 -1.719 -15.170 1.00 30.34 C ATOM 68 CG HIS A 5 -8.538 -1.596 -14.705 1.00 53.31 C ATOM 69 ND1 HIS A 5 -8.167 -1.683 -13.382 1.00 54.33 N ATOM 70 CD2 HIS A 5 -7.396 -1.379 -15.398 1.00 45.24 C ATOM 71 CE1 HIS A 5 -6.863 -1.524 -13.283 1.00 54.54 C ATOM 72 NE2 HIS A 5 -6.366 -1.337 -14.490 1.00 23.14 N ATOM 0 H HIS A 5 -12.304 -2.611 -15.789 1.00 53.42 H new ATOM 0 HA HIS A 5 -9.567 -3.093 -16.777 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -10.193 -0.868 -15.809 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -10.617 -1.661 -14.305 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -7.310 -1.261 -16.468 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -6.295 -1.544 -12.365 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -5.382 -1.186 -14.712 1.00 23.14 H new ATOM 81 N HIS A 6 -11.151 -4.901 -14.707 1.00 45.40 N ATOM 82 CA HIS A 6 -11.095 -6.096 -13.877 1.00 74.22 C ATOM 83 C HIS A 6 -10.418 -7.240 -14.632 1.00 33.31 C ATOM 84 O HIS A 6 -11.040 -7.922 -15.448 1.00 44.15 O ATOM 85 CB HIS A 6 -12.503 -6.498 -13.428 1.00 21.14 C ATOM 86 CG HIS A 6 -12.538 -7.673 -12.501 1.00 4.44 C ATOM 87 ND1 HIS A 6 -11.847 -7.713 -11.312 1.00 71.13 N ATOM 88 CD2 HIS A 6 -13.198 -8.850 -12.588 1.00 0.13 C ATOM 89 CE1 HIS A 6 -12.081 -8.861 -10.710 1.00 11.44 C ATOM 90 NE2 HIS A 6 -12.899 -9.576 -11.460 1.00 51.22 N ATOM 0 H HIS A 6 -12.091 -4.634 -14.998 1.00 45.40 H new ATOM 0 HA HIS A 6 -10.502 -5.877 -12.989 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -12.972 -5.646 -12.935 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -13.102 -6.726 -14.309 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -13.842 -9.163 -13.396 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -11.671 -9.167 -9.759 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -13.249 -10.508 -11.240 1.00 51.22 H new ATOM 99 N HIS A 7 -9.136 -7.421 -14.365 1.00 34.15 N ATOM 100 CA HIS A 7 -8.350 -8.459 -15.014 1.00 65.00 C ATOM 101 C HIS A 7 -8.019 -9.551 -14.004 1.00 31.54 C ATOM 102 O HIS A 7 -7.681 -9.257 -12.858 1.00 32.25 O ATOM 103 CB HIS A 7 -7.068 -7.842 -15.588 1.00 75.41 C ATOM 104 CG HIS A 7 -6.323 -8.726 -16.544 1.00 10.02 C ATOM 105 ND1 HIS A 7 -6.487 -8.661 -17.911 1.00 55.04 N ATOM 106 CD2 HIS A 7 -5.384 -9.680 -16.329 1.00 53.41 C ATOM 107 CE1 HIS A 7 -5.686 -9.534 -18.491 1.00 63.14 C ATOM 108 NE2 HIS A 7 -5.006 -10.164 -17.553 1.00 43.31 N ATOM 0 H HIS A 7 -8.612 -6.857 -13.696 1.00 34.15 H new ATOM 0 HA HIS A 7 -8.920 -8.903 -15.831 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -7.324 -6.913 -16.097 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -6.405 -7.581 -14.763 1.00 75.41 H new ATOM 0 HD1 HIS A 7 -7.128 -8.035 -18.398 1.00 55.04 H new ATOM 0 HD2 HIS A 7 -5.004 -9.999 -15.370 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -5.601 -9.704 -19.554 1.00 63.14 H new ATOM 117 N HIS A 8 -8.139 -10.804 -14.415 1.00 2.53 N ATOM 118 CA HIS A 8 -7.881 -11.917 -13.511 1.00 24.33 C ATOM 119 C HIS A 8 -6.554 -12.595 -13.809 1.00 4.02 C ATOM 120 O HIS A 8 -5.514 -12.177 -13.298 1.00 64.31 O ATOM 121 CB HIS A 8 -9.012 -12.947 -13.558 1.00 33.11 C ATOM 122 CG HIS A 8 -9.985 -12.828 -12.430 1.00 25.30 C ATOM 123 ND1 HIS A 8 -11.096 -13.633 -12.308 1.00 72.24 N ATOM 124 CD2 HIS A 8 -10.002 -12.004 -11.355 1.00 43.24 C ATOM 125 CE1 HIS A 8 -11.754 -13.310 -11.210 1.00 50.53 C ATOM 126 NE2 HIS A 8 -11.110 -12.324 -10.614 1.00 1.11 N ATOM 0 H HIS A 8 -8.411 -11.076 -15.360 1.00 2.53 H new ATOM 0 HA HIS A 8 -7.830 -11.496 -12.507 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -9.549 -12.840 -14.501 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -8.580 -13.948 -13.548 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -9.277 -11.237 -11.124 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -12.664 -13.774 -10.859 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -11.391 -11.873 -9.743 1.00 1.11 H new ATOM 135 N SER A 9 -6.597 -13.626 -14.654 1.00 33.30 N ATOM 136 CA SER A 9 -5.445 -14.490 -14.883 1.00 71.42 C ATOM 137 C SER A 9 -5.017 -15.155 -13.569 1.00 35.13 C ATOM 138 O SER A 9 -5.716 -15.051 -12.556 1.00 23.52 O ATOM 139 CB SER A 9 -4.291 -13.695 -15.504 1.00 35.33 C ATOM 140 OG SER A 9 -4.699 -13.083 -16.717 1.00 11.02 O ATOM 0 H SER A 9 -7.424 -13.882 -15.193 1.00 33.30 H new ATOM 0 HA SER A 9 -5.725 -15.274 -15.587 1.00 71.42 H new ATOM 0 HB2 SER A 9 -3.949 -12.933 -14.803 1.00 35.33 H new ATOM 0 HB3 SER A 9 -3.446 -14.357 -15.691 1.00 35.33 H new ATOM 0 HG SER A 9 -4.542 -12.117 -16.665 1.00 11.02 H new ATOM 146 N HIS A 10 -3.901 -15.866 -13.581 1.00 23.12 N ATOM 147 CA HIS A 10 -3.421 -16.518 -12.373 1.00 0.24 C ATOM 148 C HIS A 10 -1.964 -16.190 -12.104 1.00 5.11 C ATOM 149 O HIS A 10 -1.185 -15.926 -13.025 1.00 1.30 O ATOM 150 CB HIS A 10 -3.634 -18.034 -12.441 1.00 64.40 C ATOM 151 CG HIS A 10 -5.069 -18.430 -12.263 1.00 31.43 C ATOM 152 ND1 HIS A 10 -5.701 -19.370 -13.047 1.00 33.05 N ATOM 153 CD2 HIS A 10 -5.999 -17.991 -11.384 1.00 14.51 C ATOM 154 CE1 HIS A 10 -6.958 -19.486 -12.660 1.00 55.01 C ATOM 155 NE2 HIS A 10 -7.164 -18.660 -11.652 1.00 15.41 N ATOM 0 H HIS A 10 -3.316 -16.006 -14.405 1.00 23.12 H new ATOM 0 HA HIS A 10 -4.007 -16.130 -11.540 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -3.277 -18.403 -13.402 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -3.031 -18.515 -11.671 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -5.850 -17.250 -10.613 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -7.694 -20.146 -13.095 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.046 -18.539 -11.154 1.00 15.41 H new ATOM 164 N GLY A 11 -1.621 -16.194 -10.830 1.00 45.01 N ATOM 165 CA GLY A 11 -0.287 -15.861 -10.391 1.00 43.23 C ATOM 166 C GLY A 11 -0.314 -15.368 -8.964 1.00 4.23 C ATOM 167 O GLY A 11 -0.286 -14.163 -8.707 1.00 12.15 O ATOM 0 H GLY A 11 -2.263 -16.429 -10.073 1.00 45.01 H new ATOM 0 HA2 GLY A 11 0.358 -16.736 -10.469 1.00 43.23 H new ATOM 0 HA3 GLY A 11 0.136 -15.094 -11.040 1.00 43.23 H new ATOM 171 N ASP A 12 -0.382 -16.306 -8.031 1.00 61.32 N ATOM 172 CA ASP A 12 -0.648 -15.987 -6.633 1.00 3.44 C ATOM 173 C ASP A 12 0.613 -15.529 -5.902 1.00 10.11 C ATOM 174 O ASP A 12 1.021 -16.120 -4.906 1.00 73.51 O ATOM 175 CB ASP A 12 -1.257 -17.201 -5.929 1.00 23.15 C ATOM 176 CG ASP A 12 -1.981 -16.823 -4.653 1.00 71.03 C ATOM 177 OD1 ASP A 12 -2.964 -16.053 -4.733 1.00 74.44 O ATOM 178 OD2 ASP A 12 -1.582 -17.291 -3.568 1.00 2.10 O ATOM 0 H ASP A 12 -0.256 -17.301 -8.217 1.00 61.32 H new ATOM 0 HA ASP A 12 -1.356 -15.159 -6.610 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -1.952 -17.699 -6.605 1.00 23.15 H new ATOM 0 HB3 ASP A 12 -0.469 -17.918 -5.698 1.00 23.15 H new ATOM 183 N ASP A 13 1.227 -14.476 -6.417 1.00 14.12 N ATOM 184 CA ASP A 13 2.374 -13.852 -5.769 1.00 15.41 C ATOM 185 C ASP A 13 2.364 -12.349 -6.007 1.00 10.13 C ATOM 186 O ASP A 13 3.248 -11.795 -6.658 1.00 22.52 O ATOM 187 CB ASP A 13 3.704 -14.467 -6.233 1.00 43.13 C ATOM 188 CG ASP A 13 3.738 -14.794 -7.715 1.00 50.02 C ATOM 189 OD1 ASP A 13 3.942 -13.876 -8.540 1.00 53.44 O ATOM 190 OD2 ASP A 13 3.586 -15.984 -8.059 1.00 23.44 O ATOM 0 H ASP A 13 0.948 -14.030 -7.291 1.00 14.12 H new ATOM 0 HA ASP A 13 2.289 -14.041 -4.699 1.00 15.41 H new ATOM 0 HB2 ASP A 13 4.514 -13.775 -6.003 1.00 43.13 H new ATOM 0 HB3 ASP A 13 3.892 -15.378 -5.664 1.00 43.13 H new ATOM 195 N SER A 14 1.343 -11.696 -5.481 1.00 4.42 N ATOM 196 CA SER A 14 1.194 -10.257 -5.617 1.00 10.31 C ATOM 197 C SER A 14 0.235 -9.736 -4.556 1.00 22.54 C ATOM 198 O SER A 14 -0.712 -10.430 -4.179 1.00 73.02 O ATOM 199 CB SER A 14 0.690 -9.910 -7.024 1.00 55.45 C ATOM 200 OG SER A 14 -0.429 -10.709 -7.377 1.00 33.02 O ATOM 0 H SER A 14 0.597 -12.145 -4.950 1.00 4.42 H new ATOM 0 HA SER A 14 2.163 -9.779 -5.474 1.00 10.31 H new ATOM 0 HB2 SER A 14 0.416 -8.856 -7.066 1.00 55.45 H new ATOM 0 HB3 SER A 14 1.491 -10.060 -7.748 1.00 55.45 H new ATOM 0 HG SER A 14 -0.732 -10.468 -8.277 1.00 33.02 H new ATOM 206 N VAL A 15 0.483 -8.534 -4.063 1.00 21.01 N ATOM 207 CA VAL A 15 -0.368 -7.952 -3.037 1.00 63.02 C ATOM 208 C VAL A 15 -1.251 -6.851 -3.621 1.00 5.31 C ATOM 209 O VAL A 15 -0.764 -5.935 -4.282 1.00 32.33 O ATOM 210 CB VAL A 15 0.461 -7.392 -1.855 1.00 60.24 C ATOM 211 CG1 VAL A 15 1.086 -8.526 -1.054 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.540 -6.434 -2.347 1.00 33.24 C ATOM 0 H VAL A 15 1.262 -7.944 -4.354 1.00 21.01 H new ATOM 0 HA VAL A 15 -1.004 -8.752 -2.657 1.00 63.02 H new ATOM 0 HB VAL A 15 -0.216 -6.837 -1.205 1.00 60.24 H new ATOM 0 HG11 VAL A 15 1.664 -8.112 -0.228 1.00 21.35 H new ATOM 0 HG12 VAL A 15 0.300 -9.170 -0.660 1.00 21.35 H new ATOM 0 HG13 VAL A 15 1.742 -9.109 -1.700 1.00 21.35 H new ATOM 0 HG21 VAL A 15 2.107 -6.056 -1.496 1.00 33.24 H new ATOM 0 HG22 VAL A 15 2.212 -6.960 -3.025 1.00 33.24 H new ATOM 0 HG23 VAL A 15 1.074 -5.600 -2.872 1.00 33.24 H new ATOM 222 N HIS A 16 -2.553 -6.969 -3.408 1.00 64.34 N ATOM 223 CA HIS A 16 -3.489 -5.935 -3.830 1.00 21.13 C ATOM 224 C HIS A 16 -3.645 -4.900 -2.731 1.00 72.32 C ATOM 225 O HIS A 16 -4.587 -4.952 -1.938 1.00 11.31 O ATOM 226 CB HIS A 16 -4.857 -6.525 -4.193 1.00 43.40 C ATOM 227 CG HIS A 16 -4.867 -7.288 -5.481 1.00 53.34 C ATOM 228 ND1 HIS A 16 -4.527 -8.618 -5.570 1.00 11.31 N ATOM 229 CD2 HIS A 16 -5.185 -6.899 -6.739 1.00 71.35 C ATOM 230 CE1 HIS A 16 -4.633 -9.015 -6.824 1.00 61.32 C ATOM 231 NE2 HIS A 16 -5.031 -7.992 -7.554 1.00 23.43 N ATOM 0 H HIS A 16 -2.986 -7.769 -2.946 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.083 -5.461 -4.724 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -5.182 -7.185 -3.389 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.585 -5.716 -4.256 1.00 43.40 H new ATOM 0 HD2 HIS A 16 -5.501 -5.912 -7.044 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -4.428 -10.010 -7.190 1.00 61.32 H new ATOM 0 HE2 HIS A 16 -5.197 -8.010 -8.560 1.00 23.43 H new ATOM 240 N LEU A 17 -2.691 -3.986 -2.662 1.00 3.22 N ATOM 241 CA LEU A 17 -2.693 -2.952 -1.640 1.00 34.42 C ATOM 242 C LEU A 17 -3.791 -1.936 -1.915 1.00 33.24 C ATOM 243 O LEU A 17 -3.825 -1.317 -2.976 1.00 31.41 O ATOM 244 CB LEU A 17 -1.332 -2.256 -1.579 1.00 64.34 C ATOM 245 CG LEU A 17 -0.168 -3.152 -1.146 1.00 62.52 C ATOM 246 CD1 LEU A 17 1.136 -2.373 -1.153 1.00 22.21 C ATOM 247 CD2 LEU A 17 -0.432 -3.740 0.232 1.00 64.34 C ATOM 0 H LEU A 17 -1.901 -3.939 -3.306 1.00 3.22 H new ATOM 0 HA LEU A 17 -2.886 -3.422 -0.676 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -1.107 -1.843 -2.562 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -1.401 -1.415 -0.888 1.00 64.34 H new ATOM 0 HG LEU A 17 -0.081 -3.972 -1.859 1.00 62.52 H new ATOM 0 HD11 LEU A 17 1.952 -3.026 -0.843 1.00 22.21 H new ATOM 0 HD12 LEU A 17 1.332 -2.001 -2.158 1.00 22.21 H new ATOM 0 HD13 LEU A 17 1.061 -1.533 -0.463 1.00 22.21 H new ATOM 0 HD21 LEU A 17 0.405 -4.374 0.524 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -0.546 -2.933 0.956 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -1.345 -4.335 0.205 1.00 64.34 H new ATOM 259 N HIS A 18 -4.695 -1.774 -0.963 1.00 54.23 N ATOM 260 CA HIS A 18 -5.791 -0.829 -1.119 1.00 12.43 C ATOM 261 C HIS A 18 -5.351 0.564 -0.703 1.00 74.21 C ATOM 262 O HIS A 18 -5.454 0.936 0.466 1.00 75.44 O ATOM 263 CB HIS A 18 -7.014 -1.262 -0.304 1.00 1.35 C ATOM 264 CG HIS A 18 -7.677 -2.499 -0.827 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.807 -2.474 -1.616 1.00 34.12 N ATOM 266 CD2 HIS A 18 -7.359 -3.803 -0.668 1.00 2.05 C ATOM 267 CE1 HIS A 18 -9.153 -3.712 -1.919 1.00 52.22 C ATOM 268 NE2 HIS A 18 -8.291 -4.537 -1.358 1.00 62.13 N ATOM 0 H HIS A 18 -4.693 -2.281 -0.078 1.00 54.23 H new ATOM 0 HA HIS A 18 -6.073 -0.812 -2.172 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -6.710 -1.432 0.729 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -7.739 -0.448 -0.293 1.00 1.35 H new ATOM 0 HD2 HIS A 18 -6.526 -4.195 -0.103 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -10.000 -4.000 -2.524 1.00 52.22 H new ATOM 0 HE2 HIS A 18 -8.313 -5.555 -1.426 1.00 62.13 H new ATOM 277 N ILE A 19 -4.820 1.314 -1.654 1.00 35.15 N ATOM 278 CA ILE A 19 -4.406 2.685 -1.399 1.00 53.04 C ATOM 279 C ILE A 19 -5.633 3.571 -1.215 1.00 11.31 C ATOM 280 O ILE A 19 -6.493 3.642 -2.088 1.00 70.44 O ATOM 281 CB ILE A 19 -3.538 3.241 -2.547 1.00 30.50 C ATOM 282 CG1 ILE A 19 -2.315 2.347 -2.770 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.109 4.671 -2.244 1.00 43.14 C ATOM 284 CD1 ILE A 19 -1.461 2.768 -3.948 1.00 43.34 C ATOM 0 H ILE A 19 -4.665 0.997 -2.611 1.00 35.15 H new ATOM 0 HA ILE A 19 -3.806 2.686 -0.489 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.132 3.247 -3.461 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -1.703 2.352 -1.868 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -2.649 1.321 -2.923 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -2.497 5.049 -3.063 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -3.992 5.300 -2.131 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -2.530 4.689 -1.321 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -0.614 2.089 -4.044 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -2.057 2.736 -4.860 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.096 3.783 -3.789 1.00 43.34 H new ATOM 296 N THR A 20 -5.722 4.219 -0.066 1.00 23.35 N ATOM 297 CA THR A 20 -6.854 5.076 0.243 1.00 41.50 C ATOM 298 C THR A 20 -6.366 6.375 0.882 1.00 54.53 C ATOM 299 O THR A 20 -5.338 6.394 1.554 1.00 22.33 O ATOM 300 CB THR A 20 -7.832 4.350 1.192 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.097 3.031 0.689 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.144 5.110 1.324 1.00 31.22 C ATOM 0 H THR A 20 -5.020 4.167 0.672 1.00 23.35 H new ATOM 0 HA THR A 20 -7.379 5.313 -0.683 1.00 41.50 H new ATOM 0 HB THR A 20 -7.369 4.293 2.177 1.00 41.20 H new ATOM 0 HG1 THR A 20 -8.717 2.569 1.292 1.00 3.43 H new ATOM 0 HG21 THR A 20 -9.810 4.572 1.999 1.00 31.22 H new ATOM 0 HG22 THR A 20 -8.949 6.105 1.723 1.00 31.22 H new ATOM 0 HG23 THR A 20 -9.614 5.198 0.344 1.00 31.22 H new ATOM 310 N HIS A 21 -7.089 7.461 0.658 1.00 60.00 N ATOM 311 CA HIS A 21 -6.715 8.754 1.219 1.00 53.44 C ATOM 312 C HIS A 21 -7.532 9.045 2.468 1.00 3.33 C ATOM 313 O HIS A 21 -8.389 8.255 2.856 1.00 50.01 O ATOM 314 CB HIS A 21 -6.933 9.865 0.190 1.00 33.01 C ATOM 315 CG HIS A 21 -5.665 10.418 -0.383 1.00 2.43 C ATOM 316 ND1 HIS A 21 -5.014 11.506 0.154 1.00 11.24 N ATOM 317 CD2 HIS A 21 -4.931 10.040 -1.457 1.00 2.41 C ATOM 318 CE1 HIS A 21 -3.941 11.774 -0.559 1.00 12.55 C ATOM 319 NE2 HIS A 21 -3.865 10.900 -1.543 1.00 2.25 N ATOM 0 H HIS A 21 -7.938 7.475 0.092 1.00 60.00 H new ATOM 0 HA HIS A 21 -5.659 8.719 1.485 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -7.549 9.479 -0.622 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -7.493 10.675 0.657 1.00 33.01 H new ATOM 0 HD1 HIS A 21 -5.317 12.025 0.978 1.00 11.24 H new ATOM 0 HD2 HIS A 21 -5.145 9.216 -2.121 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -3.241 12.574 -0.370 1.00 12.55 H new ATOM 328 N ALA A 22 -7.257 10.169 3.107 1.00 22.31 N ATOM 329 CA ALA A 22 -8.060 10.611 4.231 1.00 61.45 C ATOM 330 C ALA A 22 -9.200 11.477 3.727 1.00 51.41 C ATOM 331 O ALA A 22 -10.323 11.408 4.224 1.00 24.14 O ATOM 332 CB ALA A 22 -7.204 11.370 5.231 1.00 42.22 C ATOM 0 H ALA A 22 -6.485 10.790 2.866 1.00 22.31 H new ATOM 0 HA ALA A 22 -8.476 9.742 4.741 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -7.823 11.694 6.068 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -6.410 10.720 5.598 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -6.764 12.242 4.746 1.00 42.22 H new ATOM 338 N ASN A 23 -8.894 12.280 2.716 1.00 43.42 N ATOM 339 CA ASN A 23 -9.890 13.135 2.083 1.00 4.22 C ATOM 340 C ASN A 23 -10.847 12.300 1.233 1.00 24.23 C ATOM 341 O ASN A 23 -12.024 12.631 1.097 1.00 45.42 O ATOM 342 CB ASN A 23 -9.200 14.189 1.211 1.00 54.21 C ATOM 343 CG ASN A 23 -10.167 15.226 0.663 1.00 72.21 C ATOM 344 OD1 ASN A 23 -10.731 15.059 -0.422 1.00 53.25 O ATOM 345 ND2 ASN A 23 -10.363 16.305 1.406 1.00 73.04 N ATOM 0 H ASN A 23 -7.959 12.357 2.315 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.463 13.637 2.863 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -8.430 14.691 1.797 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -8.697 13.694 0.381 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -10.999 17.035 1.087 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -9.877 16.405 2.297 1.00 73.04 H new ATOM 352 N LEU A 24 -10.334 11.209 0.676 1.00 15.41 N ATOM 353 CA LEU A 24 -11.131 10.326 -0.171 1.00 0.50 C ATOM 354 C LEU A 24 -11.306 8.971 0.500 1.00 62.32 C ATOM 355 O LEU A 24 -10.347 8.211 0.634 1.00 62.23 O ATOM 356 CB LEU A 24 -10.467 10.154 -1.539 1.00 50.25 C ATOM 357 CG LEU A 24 -10.275 11.450 -2.332 1.00 63.42 C ATOM 358 CD1 LEU A 24 -9.575 11.174 -3.653 1.00 70.44 C ATOM 359 CD2 LEU A 24 -11.612 12.135 -2.574 1.00 24.12 C ATOM 0 H LEU A 24 -9.365 10.913 0.796 1.00 15.41 H new ATOM 0 HA LEU A 24 -12.113 10.778 -0.315 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -9.493 9.685 -1.397 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -11.068 9.467 -2.134 1.00 50.25 H new ATOM 0 HG LEU A 24 -9.647 12.118 -1.742 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -9.449 12.108 -4.200 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -8.598 10.731 -3.461 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -10.176 10.485 -4.246 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -11.453 13.054 -3.139 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -12.265 11.470 -3.139 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -12.077 12.373 -1.617 1.00 24.12 H new ATOM 371 N LYS A 25 -12.532 8.678 0.913 1.00 53.45 N ATOM 372 CA LYS A 25 -12.832 7.458 1.655 1.00 2.12 C ATOM 373 C LYS A 25 -12.925 6.263 0.710 1.00 72.15 C ATOM 374 O LYS A 25 -12.527 5.150 1.055 1.00 11.55 O ATOM 375 CB LYS A 25 -14.146 7.626 2.428 1.00 30.44 C ATOM 376 CG LYS A 25 -14.407 6.539 3.461 1.00 32.12 C ATOM 377 CD LYS A 25 -13.365 6.567 4.572 1.00 72.14 C ATOM 378 CE LYS A 25 -13.722 5.610 5.700 1.00 33.32 C ATOM 379 NZ LYS A 25 -12.710 5.626 6.790 1.00 2.24 N ATOM 0 H LYS A 25 -13.343 9.274 0.745 1.00 53.45 H new ATOM 0 HA LYS A 25 -12.024 7.273 2.363 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -14.138 8.594 2.930 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -14.973 7.642 1.718 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -15.401 6.672 3.889 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -14.397 5.563 2.975 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -12.390 6.301 4.164 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -13.280 7.580 4.966 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -14.697 5.878 6.107 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -13.810 4.599 5.303 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -12.993 4.960 7.537 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -11.784 5.345 6.408 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -12.644 6.584 7.188 1.00 2.24 H new ATOM 393 N SER A 26 -13.456 6.495 -0.481 1.00 73.01 N ATOM 394 CA SER A 26 -13.553 5.449 -1.485 1.00 75.14 C ATOM 395 C SER A 26 -12.579 5.729 -2.624 1.00 54.31 C ATOM 396 O SER A 26 -12.915 6.415 -3.593 1.00 32.04 O ATOM 397 CB SER A 26 -14.987 5.337 -2.013 1.00 20.11 C ATOM 398 OG SER A 26 -15.104 4.320 -2.998 1.00 11.21 O ATOM 0 H SER A 26 -13.826 7.399 -0.775 1.00 73.01 H new ATOM 0 HA SER A 26 -13.289 4.497 -1.025 1.00 75.14 H new ATOM 0 HB2 SER A 26 -15.664 5.123 -1.186 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.295 6.293 -2.438 1.00 20.11 H new ATOM 0 HG SER A 26 -16.031 4.274 -3.312 1.00 11.21 H new ATOM 404 N PHE A 27 -11.366 5.218 -2.494 1.00 62.03 N ATOM 405 CA PHE A 27 -10.344 5.438 -3.501 1.00 51.01 C ATOM 406 C PHE A 27 -10.007 4.125 -4.196 1.00 73.42 C ATOM 407 O PHE A 27 -9.469 3.204 -3.580 1.00 51.45 O ATOM 408 CB PHE A 27 -9.094 6.051 -2.864 1.00 21.01 C ATOM 409 CG PHE A 27 -8.121 6.623 -3.859 1.00 71.23 C ATOM 410 CD1 PHE A 27 -8.419 7.791 -4.543 1.00 74.22 C ATOM 411 CD2 PHE A 27 -6.910 5.999 -4.108 1.00 10.41 C ATOM 412 CE1 PHE A 27 -7.528 8.324 -5.455 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.016 6.528 -5.020 1.00 64.15 C ATOM 414 CZ PHE A 27 -6.327 7.690 -5.695 1.00 70.11 C ATOM 0 H PHE A 27 -11.066 4.649 -1.702 1.00 62.03 H new ATOM 0 HA PHE A 27 -10.724 6.137 -4.246 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -9.398 6.838 -2.174 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -8.588 5.288 -2.273 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -9.359 8.291 -4.361 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -6.661 5.088 -3.583 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -7.772 9.236 -5.979 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.075 6.032 -5.204 1.00 64.15 H new ATOM 0 HZ PHE A 27 -5.631 8.103 -6.410 1.00 70.11 H new ATOM 424 N SER A 28 -10.363 4.033 -5.470 1.00 43.10 N ATOM 425 CA SER A 28 -10.105 2.837 -6.253 1.00 24.32 C ATOM 426 C SER A 28 -8.630 2.750 -6.635 1.00 20.43 C ATOM 427 O SER A 28 -8.188 3.382 -7.597 1.00 42.51 O ATOM 428 CB SER A 28 -10.984 2.835 -7.504 1.00 54.25 C ATOM 429 OG SER A 28 -12.357 2.959 -7.155 1.00 31.44 O ATOM 0 H SER A 28 -10.834 4.778 -5.984 1.00 43.10 H new ATOM 0 HA SER A 28 -10.349 1.964 -5.648 1.00 24.32 H new ATOM 0 HB2 SER A 28 -10.695 3.657 -8.159 1.00 54.25 H new ATOM 0 HB3 SER A 28 -10.828 1.912 -8.063 1.00 54.25 H new ATOM 0 HG SER A 28 -12.903 2.957 -7.969 1.00 31.44 H new ATOM 435 N ALA A 29 -7.871 1.984 -5.863 1.00 2.13 N ATOM 436 CA ALA A 29 -6.442 1.845 -6.100 1.00 21.42 C ATOM 437 C ALA A 29 -5.942 0.473 -5.669 1.00 0.31 C ATOM 438 O ALA A 29 -4.785 0.321 -5.277 1.00 13.01 O ATOM 439 CB ALA A 29 -5.684 2.938 -5.365 1.00 3.22 C ATOM 0 H ALA A 29 -8.222 1.450 -5.068 1.00 2.13 H new ATOM 0 HA ALA A 29 -6.264 1.944 -7.171 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -4.615 2.826 -5.548 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -6.013 3.913 -5.723 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -5.879 2.860 -4.295 1.00 3.22 H new ATOM 445 N ASP A 30 -6.810 -0.527 -5.757 1.00 31.13 N ATOM 446 CA ASP A 30 -6.437 -1.894 -5.407 1.00 1.43 C ATOM 447 C ASP A 30 -5.631 -2.539 -6.532 1.00 12.41 C ATOM 448 O ASP A 30 -6.136 -3.346 -7.314 1.00 71.02 O ATOM 449 CB ASP A 30 -7.676 -2.736 -5.054 1.00 63.31 C ATOM 450 CG ASP A 30 -8.783 -2.647 -6.088 1.00 24.24 C ATOM 451 OD1 ASP A 30 -9.359 -1.549 -6.250 1.00 74.31 O ATOM 452 OD2 ASP A 30 -9.106 -3.675 -6.721 1.00 53.34 O ATOM 0 H ASP A 30 -7.776 -0.419 -6.067 1.00 31.13 H new ATOM 0 HA ASP A 30 -5.805 -1.855 -4.520 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -7.377 -3.778 -4.942 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -8.064 -2.410 -4.089 1.00 63.31 H new ATOM 457 N ALA A 31 -4.371 -2.151 -6.619 1.00 75.45 N ATOM 458 CA ALA A 31 -3.485 -2.652 -7.651 1.00 40.31 C ATOM 459 C ALA A 31 -2.648 -3.807 -7.125 1.00 54.43 C ATOM 460 O ALA A 31 -2.494 -3.973 -5.915 1.00 63.41 O ATOM 461 CB ALA A 31 -2.590 -1.537 -8.168 1.00 14.23 C ATOM 0 H ALA A 31 -3.937 -1.484 -5.981 1.00 75.45 H new ATOM 0 HA ALA A 31 -4.093 -3.020 -8.478 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.931 -1.929 -8.942 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -3.206 -0.740 -8.585 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -1.991 -1.141 -7.348 1.00 14.23 H new ATOM 467 N ARG A 32 -2.120 -4.610 -8.036 1.00 30.40 N ATOM 468 CA ARG A 32 -1.270 -5.727 -7.661 1.00 51.03 C ATOM 469 C ARG A 32 0.194 -5.297 -7.657 1.00 22.13 C ATOM 470 O ARG A 32 0.766 -4.972 -8.698 1.00 40.03 O ATOM 471 CB ARG A 32 -1.491 -6.917 -8.603 1.00 1.31 C ATOM 472 CG ARG A 32 -1.277 -6.599 -10.076 1.00 33.23 C ATOM 473 CD ARG A 32 -1.477 -7.831 -10.940 1.00 52.33 C ATOM 474 NE ARG A 32 -1.129 -7.584 -12.337 1.00 15.15 N ATOM 475 CZ ARG A 32 -0.723 -8.533 -13.181 1.00 55.33 C ATOM 476 NH1 ARG A 32 -0.624 -9.795 -12.778 1.00 14.24 N ATOM 477 NH2 ARG A 32 -0.412 -8.227 -14.432 1.00 5.05 N ATOM 0 H ARG A 32 -2.266 -4.508 -9.040 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.537 -6.045 -6.653 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -0.816 -7.723 -8.316 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.507 -7.289 -8.468 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -1.971 -5.818 -10.386 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.270 -6.208 -10.224 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -0.867 -8.647 -10.554 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -2.517 -8.153 -10.877 1.00 52.33 H new ATOM 0 HE ARG A 32 -1.201 -6.629 -12.688 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -0.859 -10.043 -11.817 1.00 14.24 H new ATOM 0 HH12 ARG A 32 -0.313 -10.515 -13.429 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -0.483 -7.262 -14.754 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -0.102 -8.957 -15.074 1.00 5.05 H new ATOM 491 N PHE A 33 0.780 -5.266 -6.474 1.00 50.41 N ATOM 492 CA PHE A 33 2.167 -4.861 -6.321 1.00 23.33 C ATOM 493 C PHE A 33 3.044 -6.057 -5.982 1.00 22.22 C ATOM 494 O PHE A 33 2.551 -7.095 -5.527 1.00 30.14 O ATOM 495 CB PHE A 33 2.295 -3.799 -5.228 1.00 73.21 C ATOM 496 CG PHE A 33 1.520 -2.543 -5.508 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.013 -1.593 -6.387 1.00 42.12 C ATOM 498 CD2 PHE A 33 0.302 -2.311 -4.890 1.00 60.13 C ATOM 499 CE1 PHE A 33 1.306 -0.435 -6.644 1.00 73.02 C ATOM 500 CE2 PHE A 33 -0.409 -1.153 -5.142 1.00 63.24 C ATOM 501 CZ PHE A 33 0.095 -0.215 -6.021 1.00 15.44 C ATOM 0 H PHE A 33 0.315 -5.517 -5.601 1.00 50.41 H new ATOM 0 HA PHE A 33 2.502 -4.439 -7.269 1.00 23.33 H new ATOM 0 HB2 PHE A 33 1.955 -4.221 -4.283 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.348 -3.545 -5.103 1.00 73.21 H new ATOM 0 HD1 PHE A 33 2.961 -1.760 -6.877 1.00 42.12 H new ATOM 0 HD2 PHE A 33 -0.096 -3.043 -4.204 1.00 60.13 H new ATOM 0 HE1 PHE A 33 1.701 0.298 -7.332 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -1.356 -0.982 -4.653 1.00 63.24 H new ATOM 0 HZ PHE A 33 -0.459 0.691 -6.221 1.00 15.44 H new ATOM 511 N SER A 34 4.340 -5.901 -6.215 1.00 22.11 N ATOM 512 CA SER A 34 5.312 -6.929 -5.896 1.00 50.41 C ATOM 513 C SER A 34 5.495 -7.038 -4.382 1.00 34.14 C ATOM 514 O SER A 34 5.532 -6.028 -3.681 1.00 72.42 O ATOM 515 CB SER A 34 6.648 -6.602 -6.567 1.00 33.20 C ATOM 516 OG SER A 34 6.493 -6.470 -7.972 1.00 72.21 O ATOM 0 H SER A 34 4.743 -5.060 -6.629 1.00 22.11 H new ATOM 0 HA SER A 34 4.949 -7.887 -6.269 1.00 50.41 H new ATOM 0 HB2 SER A 34 7.050 -5.677 -6.153 1.00 33.20 H new ATOM 0 HB3 SER A 34 7.370 -7.389 -6.350 1.00 33.20 H new ATOM 0 HG SER A 34 7.360 -6.259 -8.378 1.00 72.21 H new ATOM 522 N PRO A 35 5.614 -8.270 -3.863 1.00 10.21 N ATOM 523 CA PRO A 35 5.767 -8.515 -2.424 1.00 33.11 C ATOM 524 C PRO A 35 7.034 -7.882 -1.849 1.00 13.13 C ATOM 525 O PRO A 35 7.087 -7.531 -0.674 1.00 51.42 O ATOM 526 CB PRO A 35 5.842 -10.043 -2.320 1.00 24.12 C ATOM 527 CG PRO A 35 5.244 -10.546 -3.589 1.00 44.44 C ATOM 528 CD PRO A 35 5.596 -9.525 -4.631 1.00 4.33 C ATOM 0 HA PRO A 35 4.948 -8.075 -1.856 1.00 33.11 H new ATOM 0 HB2 PRO A 35 6.872 -10.381 -2.208 1.00 24.12 H new ATOM 0 HB3 PRO A 35 5.291 -10.407 -1.453 1.00 24.12 H new ATOM 0 HG2 PRO A 35 5.643 -11.526 -3.849 1.00 44.44 H new ATOM 0 HG3 PRO A 35 4.164 -10.656 -3.497 1.00 44.44 H new ATOM 0 HD2 PRO A 35 6.563 -9.732 -5.090 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.860 -9.497 -5.435 1.00 4.33 H new ATOM 536 N GLN A 36 8.057 -7.732 -2.675 1.00 2.12 N ATOM 537 CA GLN A 36 9.319 -7.162 -2.219 1.00 31.42 C ATOM 538 C GLN A 36 9.363 -5.645 -2.386 1.00 44.25 C ATOM 539 O GLN A 36 10.431 -5.043 -2.306 1.00 4.23 O ATOM 540 CB GLN A 36 10.497 -7.814 -2.942 1.00 13.50 C ATOM 541 CG GLN A 36 10.912 -9.137 -2.328 1.00 63.32 C ATOM 542 CD GLN A 36 12.084 -9.772 -3.047 1.00 52.41 C ATOM 543 OE1 GLN A 36 13.241 -9.502 -2.731 1.00 62.15 O ATOM 544 NE2 GLN A 36 11.788 -10.627 -4.009 1.00 14.42 N ATOM 0 H GLN A 36 8.041 -7.995 -3.660 1.00 2.12 H new ATOM 0 HA GLN A 36 9.398 -7.372 -1.152 1.00 31.42 H new ATOM 0 HB2 GLN A 36 10.232 -7.973 -3.987 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.347 -7.131 -2.929 1.00 13.50 H new ATOM 0 HG2 GLN A 36 11.174 -8.981 -1.282 1.00 63.32 H new ATOM 0 HG3 GLN A 36 10.065 -9.823 -2.346 1.00 63.32 H new ATOM 0 HE21 GLN A 36 10.813 -10.820 -4.237 1.00 14.42 H new ATOM 0 HE22 GLN A 36 12.535 -11.094 -4.524 1.00 14.42 H new ATOM 553 N MET A 37 8.211 -5.024 -2.596 1.00 31.44 N ATOM 554 CA MET A 37 8.145 -3.570 -2.627 1.00 73.02 C ATOM 555 C MET A 37 7.979 -3.052 -1.202 1.00 34.53 C ATOM 556 O MET A 37 6.863 -2.935 -0.698 1.00 53.23 O ATOM 557 CB MET A 37 6.992 -3.072 -3.503 1.00 74.13 C ATOM 558 CG MET A 37 6.997 -1.561 -3.702 1.00 71.55 C ATOM 559 SD MET A 37 5.520 -0.956 -4.543 1.00 14.42 S ATOM 560 CE MET A 37 4.271 -1.324 -3.314 1.00 65.20 C ATOM 0 H MET A 37 7.320 -5.497 -2.746 1.00 31.44 H new ATOM 0 HA MET A 37 9.070 -3.192 -3.062 1.00 73.02 H new ATOM 0 HB2 MET A 37 7.047 -3.560 -4.476 1.00 74.13 H new ATOM 0 HB3 MET A 37 6.046 -3.369 -3.050 1.00 74.13 H new ATOM 0 HG2 MET A 37 7.081 -1.072 -2.731 1.00 71.55 H new ATOM 0 HG3 MET A 37 7.878 -1.279 -4.279 1.00 71.55 H new ATOM 0 HE1 MET A 37 3.345 -0.811 -3.572 1.00 65.20 H new ATOM 0 HE2 MET A 37 4.094 -2.399 -3.285 1.00 65.20 H new ATOM 0 HE3 MET A 37 4.613 -0.986 -2.336 1.00 65.20 H new ATOM 570 N SER A 38 9.098 -2.787 -0.547 1.00 65.35 N ATOM 571 CA SER A 38 9.097 -2.381 0.849 1.00 54.10 C ATOM 572 C SER A 38 8.883 -0.877 0.993 1.00 12.34 C ATOM 573 O SER A 38 8.924 -0.129 0.010 1.00 42.15 O ATOM 574 CB SER A 38 10.425 -2.781 1.490 1.00 12.31 C ATOM 575 OG SER A 38 11.517 -2.281 0.736 1.00 34.14 O ATOM 0 H SER A 38 10.027 -2.847 -0.965 1.00 65.35 H new ATOM 0 HA SER A 38 8.272 -2.884 1.354 1.00 54.10 H new ATOM 0 HB2 SER A 38 10.473 -2.396 2.509 1.00 12.31 H new ATOM 0 HB3 SER A 38 10.490 -3.867 1.557 1.00 12.31 H new ATOM 0 HG SER A 38 12.358 -2.546 1.163 1.00 34.14 H new ATOM 581 N VAL A 39 8.666 -0.439 2.226 1.00 20.43 N ATOM 582 CA VAL A 39 8.545 0.978 2.520 1.00 45.32 C ATOM 583 C VAL A 39 9.897 1.653 2.323 1.00 10.11 C ATOM 584 O VAL A 39 9.974 2.798 1.883 1.00 64.02 O ATOM 585 CB VAL A 39 8.035 1.221 3.957 1.00 20.13 C ATOM 586 CG1 VAL A 39 7.866 2.708 4.234 1.00 63.52 C ATOM 587 CG2 VAL A 39 6.724 0.476 4.188 1.00 63.45 C ATOM 0 H VAL A 39 8.570 -1.048 3.039 1.00 20.43 H new ATOM 0 HA VAL A 39 7.813 1.407 1.835 1.00 45.32 H new ATOM 0 HB VAL A 39 8.780 0.835 4.652 1.00 20.13 H new ATOM 0 HG11 VAL A 39 7.506 2.850 5.253 1.00 63.52 H new ATOM 0 HG12 VAL A 39 8.825 3.212 4.115 1.00 63.52 H new ATOM 0 HG13 VAL A 39 7.146 3.129 3.533 1.00 63.52 H new ATOM 0 HG21 VAL A 39 6.377 0.657 5.205 1.00 63.45 H new ATOM 0 HG22 VAL A 39 5.974 0.831 3.480 1.00 63.45 H new ATOM 0 HG23 VAL A 39 6.882 -0.593 4.043 1.00 63.45 H new ATOM 597 N GLU A 40 10.960 0.912 2.622 1.00 23.22 N ATOM 598 CA GLU A 40 12.325 1.376 2.387 1.00 24.11 C ATOM 599 C GLU A 40 12.505 1.787 0.926 1.00 1.32 C ATOM 600 O GLU A 40 13.134 2.803 0.619 1.00 22.10 O ATOM 601 CB GLU A 40 13.325 0.270 2.743 1.00 51.23 C ATOM 602 CG GLU A 40 14.775 0.663 2.514 1.00 45.44 C ATOM 603 CD GLU A 40 15.736 -0.492 2.703 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.879 -1.317 1.773 1.00 60.42 O ATOM 605 OE2 GLU A 40 16.359 -0.582 3.780 1.00 45.12 O ATOM 0 H GLU A 40 10.902 -0.021 3.031 1.00 23.22 H new ATOM 0 HA GLU A 40 12.510 2.243 3.021 1.00 24.11 H new ATOM 0 HB2 GLU A 40 13.193 -0.004 3.790 1.00 51.23 H new ATOM 0 HB3 GLU A 40 13.100 -0.616 2.150 1.00 51.23 H new ATOM 0 HG2 GLU A 40 14.884 1.058 1.504 1.00 45.44 H new ATOM 0 HG3 GLU A 40 15.041 1.466 3.201 1.00 45.44 H new ATOM 612 N ALA A 41 11.932 0.998 0.028 1.00 13.12 N ATOM 613 CA ALA A 41 12.023 1.267 -1.395 1.00 24.12 C ATOM 614 C ALA A 41 11.100 2.413 -1.798 1.00 41.35 C ATOM 615 O ALA A 41 11.493 3.306 -2.549 1.00 74.42 O ATOM 616 CB ALA A 41 11.691 0.014 -2.190 1.00 23.02 C ATOM 0 H ALA A 41 11.397 0.162 0.264 1.00 13.12 H new ATOM 0 HA ALA A 41 13.047 1.566 -1.619 1.00 24.12 H new ATOM 0 HB1 ALA A 41 11.763 0.230 -3.256 1.00 23.02 H new ATOM 0 HB2 ALA A 41 12.394 -0.778 -1.932 1.00 23.02 H new ATOM 0 HB3 ALA A 41 10.677 -0.309 -1.953 1.00 23.02 H new ATOM 622 N VAL A 42 9.874 2.392 -1.286 1.00 51.22 N ATOM 623 CA VAL A 42 8.877 3.381 -1.680 1.00 25.41 C ATOM 624 C VAL A 42 9.219 4.773 -1.136 1.00 20.03 C ATOM 625 O VAL A 42 8.833 5.781 -1.727 1.00 21.00 O ATOM 626 CB VAL A 42 7.448 2.966 -1.246 1.00 50.02 C ATOM 627 CG1 VAL A 42 7.218 3.198 0.239 1.00 31.42 C ATOM 628 CG2 VAL A 42 6.401 3.692 -2.077 1.00 55.34 C ATOM 0 H VAL A 42 9.549 1.708 -0.603 1.00 51.22 H new ATOM 0 HA VAL A 42 8.895 3.427 -2.769 1.00 25.41 H new ATOM 0 HB VAL A 42 7.350 1.895 -1.425 1.00 50.02 H new ATOM 0 HG11 VAL A 42 6.205 2.894 0.502 1.00 31.42 H new ATOM 0 HG12 VAL A 42 7.934 2.611 0.814 1.00 31.42 H new ATOM 0 HG13 VAL A 42 7.350 4.256 0.467 1.00 31.42 H new ATOM 0 HG21 VAL A 42 5.405 3.386 -1.756 1.00 55.34 H new ATOM 0 HG22 VAL A 42 6.511 4.768 -1.942 1.00 55.34 H new ATOM 0 HG23 VAL A 42 6.535 3.443 -3.130 1.00 55.34 H new ATOM 638 N LYS A 43 9.962 4.830 -0.028 1.00 40.41 N ATOM 639 CA LYS A 43 10.396 6.107 0.538 1.00 51.44 C ATOM 640 C LYS A 43 11.234 6.886 -0.465 1.00 75.14 C ATOM 641 O LYS A 43 11.110 8.102 -0.568 1.00 24.13 O ATOM 642 CB LYS A 43 11.204 5.909 1.822 1.00 5.25 C ATOM 643 CG LYS A 43 10.356 5.672 3.061 1.00 72.22 C ATOM 644 CD LYS A 43 11.221 5.644 4.313 1.00 53.21 C ATOM 645 CE LYS A 43 10.384 5.489 5.577 1.00 73.50 C ATOM 646 NZ LYS A 43 11.225 5.543 6.806 1.00 12.44 N ATOM 0 H LYS A 43 10.274 4.010 0.492 1.00 40.41 H new ATOM 0 HA LYS A 43 9.495 6.672 0.776 1.00 51.44 H new ATOM 0 HB2 LYS A 43 11.876 5.062 1.688 1.00 5.25 H new ATOM 0 HB3 LYS A 43 11.828 6.788 1.985 1.00 5.25 H new ATOM 0 HG2 LYS A 43 9.606 6.458 3.149 1.00 72.22 H new ATOM 0 HG3 LYS A 43 9.819 4.729 2.964 1.00 72.22 H new ATOM 0 HD2 LYS A 43 11.932 4.821 4.245 1.00 53.21 H new ATOM 0 HD3 LYS A 43 11.803 6.564 4.373 1.00 53.21 H new ATOM 0 HE2 LYS A 43 9.633 6.278 5.615 1.00 73.50 H new ATOM 0 HE3 LYS A 43 9.848 4.540 5.544 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 10.621 5.434 7.645 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 11.925 4.774 6.782 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 11.717 6.458 6.850 1.00 12.44 H new ATOM 660 N GLU A 44 12.079 6.179 -1.202 1.00 3.40 N ATOM 661 CA GLU A 44 12.941 6.806 -2.194 1.00 53.14 C ATOM 662 C GLU A 44 12.102 7.367 -3.339 1.00 31.02 C ATOM 663 O GLU A 44 12.338 8.472 -3.828 1.00 10.50 O ATOM 664 CB GLU A 44 13.939 5.779 -2.732 1.00 42.13 C ATOM 665 CG GLU A 44 15.052 6.379 -3.575 1.00 2.44 C ATOM 666 CD GLU A 44 16.065 7.141 -2.749 1.00 21.45 C ATOM 667 OE1 GLU A 44 16.658 6.541 -1.828 1.00 1.51 O ATOM 668 OE2 GLU A 44 16.302 8.331 -3.037 1.00 24.43 O ATOM 0 H GLU A 44 12.186 5.167 -1.131 1.00 3.40 H new ATOM 0 HA GLU A 44 13.487 7.625 -1.725 1.00 53.14 H new ATOM 0 HB2 GLU A 44 14.382 5.244 -1.892 1.00 42.13 H new ATOM 0 HB3 GLU A 44 13.401 5.044 -3.330 1.00 42.13 H new ATOM 0 HG2 GLU A 44 15.559 5.583 -4.120 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.619 7.048 -4.318 1.00 2.44 H new ATOM 675 N LYS A 45 11.101 6.596 -3.740 1.00 51.50 N ATOM 676 CA LYS A 45 10.241 6.949 -4.862 1.00 0.30 C ATOM 677 C LYS A 45 9.309 8.107 -4.503 1.00 13.11 C ATOM 678 O LYS A 45 9.158 9.059 -5.274 1.00 74.23 O ATOM 679 CB LYS A 45 9.437 5.714 -5.283 1.00 15.22 C ATOM 680 CG LYS A 45 8.572 5.909 -6.517 1.00 32.34 C ATOM 681 CD LYS A 45 8.002 4.581 -6.992 1.00 34.31 C ATOM 682 CE LYS A 45 7.134 4.747 -8.226 1.00 74.54 C ATOM 683 NZ LYS A 45 6.736 3.432 -8.795 1.00 71.03 N ATOM 0 H LYS A 45 10.862 5.709 -3.297 1.00 51.50 H new ATOM 0 HA LYS A 45 10.861 7.281 -5.695 1.00 0.30 H new ATOM 0 HB2 LYS A 45 10.129 4.892 -5.467 1.00 15.22 H new ATOM 0 HB3 LYS A 45 8.799 5.413 -4.453 1.00 15.22 H new ATOM 0 HG2 LYS A 45 7.759 6.599 -6.291 1.00 32.34 H new ATOM 0 HG3 LYS A 45 9.163 6.362 -7.313 1.00 32.34 H new ATOM 0 HD2 LYS A 45 8.819 3.893 -7.212 1.00 34.31 H new ATOM 0 HD3 LYS A 45 7.414 4.131 -6.192 1.00 34.31 H new ATOM 0 HE2 LYS A 45 6.242 5.319 -7.970 1.00 74.54 H new ATOM 0 HE3 LYS A 45 7.675 5.321 -8.978 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 6.144 3.583 -9.637 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 7.587 2.897 -9.062 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 6.198 2.895 -8.085 1.00 71.03 H new ATOM 697 N LEU A 46 8.698 8.029 -3.327 1.00 4.32 N ATOM 698 CA LEU A 46 7.759 9.055 -2.880 1.00 11.40 C ATOM 699 C LEU A 46 8.484 10.336 -2.481 1.00 43.12 C ATOM 700 O LEU A 46 7.899 11.418 -2.496 1.00 21.12 O ATOM 701 CB LEU A 46 6.923 8.542 -1.705 1.00 40.21 C ATOM 702 CG LEU A 46 6.004 7.364 -2.025 1.00 51.14 C ATOM 703 CD1 LEU A 46 5.267 6.911 -0.775 1.00 53.20 C ATOM 704 CD2 LEU A 46 5.015 7.739 -3.120 1.00 0.44 C ATOM 0 H LEU A 46 8.835 7.266 -2.664 1.00 4.32 H new ATOM 0 HA LEU A 46 7.098 9.283 -3.716 1.00 11.40 H new ATOM 0 HB2 LEU A 46 7.598 8.248 -0.901 1.00 40.21 H new ATOM 0 HB3 LEU A 46 6.315 9.364 -1.326 1.00 40.21 H new ATOM 0 HG LEU A 46 6.617 6.537 -2.384 1.00 51.14 H new ATOM 0 HD11 LEU A 46 4.617 6.071 -1.020 1.00 53.20 H new ATOM 0 HD12 LEU A 46 5.989 6.602 -0.019 1.00 53.20 H new ATOM 0 HD13 LEU A 46 4.666 7.734 -0.388 1.00 53.20 H new ATOM 0 HD21 LEU A 46 4.369 6.887 -3.334 1.00 0.44 H new ATOM 0 HD22 LEU A 46 4.407 8.581 -2.789 1.00 0.44 H new ATOM 0 HD23 LEU A 46 5.559 8.017 -4.022 1.00 0.44 H new ATOM 716 N TRP A 47 9.754 10.208 -2.125 1.00 34.12 N ATOM 717 CA TRP A 47 10.570 11.354 -1.740 1.00 65.23 C ATOM 718 C TRP A 47 10.631 12.380 -2.868 1.00 73.54 C ATOM 719 O TRP A 47 10.324 13.556 -2.667 1.00 71.13 O ATOM 720 CB TRP A 47 11.974 10.879 -1.363 1.00 50.12 C ATOM 721 CG TRP A 47 12.928 11.977 -0.991 1.00 34.42 C ATOM 722 CD1 TRP A 47 12.734 12.965 -0.070 1.00 74.21 C ATOM 723 CD2 TRP A 47 14.243 12.169 -1.519 1.00 12.43 C ATOM 724 NE1 TRP A 47 13.846 13.768 -0.004 1.00 34.11 N ATOM 725 CE2 TRP A 47 14.786 13.300 -0.886 1.00 50.33 C ATOM 726 CE3 TRP A 47 15.010 11.495 -2.478 1.00 13.31 C ATOM 727 CZ2 TRP A 47 16.068 13.767 -1.174 1.00 3.12 C ATOM 728 CZ3 TRP A 47 16.279 11.957 -2.764 1.00 23.14 C ATOM 729 CH2 TRP A 47 16.796 13.087 -2.116 1.00 54.04 C ATOM 0 H TRP A 47 10.246 9.315 -2.094 1.00 34.12 H new ATOM 0 HA TRP A 47 10.115 11.838 -0.876 1.00 65.23 H new ATOM 0 HB2 TRP A 47 11.896 10.185 -0.526 1.00 50.12 H new ATOM 0 HB3 TRP A 47 12.392 10.322 -2.201 1.00 50.12 H new ATOM 0 HD1 TRP A 47 11.839 13.096 0.520 1.00 74.21 H new ATOM 0 HE1 TRP A 47 13.955 14.581 0.603 1.00 34.11 H new ATOM 0 HE3 TRP A 47 14.615 10.628 -2.986 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 16.473 14.634 -0.673 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 16.881 11.441 -3.497 1.00 23.14 H new ATOM 0 HH2 TRP A 47 17.790 13.430 -2.364 1.00 54.04 H new ATOM 740 N LYS A 48 10.997 11.924 -4.060 1.00 22.34 N ATOM 741 CA LYS A 48 11.083 12.804 -5.219 1.00 74.55 C ATOM 742 C LYS A 48 9.703 13.262 -5.673 1.00 2.32 C ATOM 743 O LYS A 48 9.563 14.325 -6.277 1.00 13.33 O ATOM 744 CB LYS A 48 11.810 12.112 -6.370 1.00 40.12 C ATOM 745 CG LYS A 48 13.316 12.050 -6.182 1.00 22.33 C ATOM 746 CD LYS A 48 13.990 11.371 -7.360 1.00 43.23 C ATOM 747 CE LYS A 48 15.497 11.555 -7.320 1.00 3.24 C ATOM 748 NZ LYS A 48 15.881 12.986 -7.445 1.00 32.34 N ATOM 0 H LYS A 48 11.239 10.951 -4.249 1.00 22.34 H new ATOM 0 HA LYS A 48 11.652 13.684 -4.920 1.00 74.55 H new ATOM 0 HB2 LYS A 48 11.423 11.099 -6.478 1.00 40.12 H new ATOM 0 HB3 LYS A 48 11.589 12.638 -7.299 1.00 40.12 H new ATOM 0 HG2 LYS A 48 13.712 13.059 -6.065 1.00 22.33 H new ATOM 0 HG3 LYS A 48 13.548 11.508 -5.265 1.00 22.33 H new ATOM 0 HD2 LYS A 48 13.752 10.307 -7.353 1.00 43.23 H new ATOM 0 HD3 LYS A 48 13.597 11.780 -8.291 1.00 43.23 H new ATOM 0 HE2 LYS A 48 15.888 11.154 -6.385 1.00 3.24 H new ATOM 0 HE3 LYS A 48 15.955 10.984 -8.128 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 16.862 13.054 -7.783 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 15.248 13.457 -8.122 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 15.802 13.449 -6.517 1.00 32.34 H new ATOM 762 N LYS A 49 8.687 12.459 -5.376 1.00 5.02 N ATOM 763 CA LYS A 49 7.313 12.799 -5.720 1.00 3.34 C ATOM 764 C LYS A 49 6.838 13.998 -4.906 1.00 74.41 C ATOM 765 O LYS A 49 6.118 14.859 -5.411 1.00 2.01 O ATOM 766 CB LYS A 49 6.396 11.599 -5.474 1.00 13.42 C ATOM 767 CG LYS A 49 4.909 11.892 -5.663 1.00 21.12 C ATOM 768 CD LYS A 49 4.387 11.506 -7.047 1.00 3.24 C ATOM 769 CE LYS A 49 4.708 12.538 -8.126 1.00 64.21 C ATOM 770 NZ LYS A 49 6.121 12.474 -8.588 1.00 42.03 N ATOM 0 H LYS A 49 8.791 11.565 -4.896 1.00 5.02 H new ATOM 0 HA LYS A 49 7.276 13.062 -6.777 1.00 3.34 H new ATOM 0 HB2 LYS A 49 6.684 10.793 -6.149 1.00 13.42 H new ATOM 0 HB3 LYS A 49 6.556 11.237 -4.459 1.00 13.42 H new ATOM 0 HG2 LYS A 49 4.341 11.353 -4.905 1.00 21.12 H new ATOM 0 HG3 LYS A 49 4.732 12.955 -5.499 1.00 21.12 H new ATOM 0 HD2 LYS A 49 4.816 10.546 -7.334 1.00 3.24 H new ATOM 0 HD3 LYS A 49 3.307 11.370 -6.995 1.00 3.24 H new ATOM 0 HE2 LYS A 49 4.045 12.384 -8.978 1.00 64.21 H new ATOM 0 HE3 LYS A 49 4.503 13.536 -7.739 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 6.592 13.380 -8.392 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 6.617 11.711 -8.085 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 6.144 12.286 -9.611 1.00 42.03 H new ATOM 784 N CYS A 50 7.251 14.048 -3.649 1.00 12.50 N ATOM 785 CA CYS A 50 6.832 15.112 -2.752 1.00 71.21 C ATOM 786 C CYS A 50 7.798 16.293 -2.806 1.00 35.22 C ATOM 787 O CYS A 50 7.385 17.449 -2.724 1.00 32.40 O ATOM 788 CB CYS A 50 6.735 14.580 -1.323 1.00 10.52 C ATOM 789 SG CYS A 50 5.739 13.080 -1.168 1.00 23.31 S ATOM 0 H CYS A 50 7.877 13.362 -3.227 1.00 12.50 H new ATOM 0 HA CYS A 50 5.852 15.463 -3.075 1.00 71.21 H new ATOM 0 HB2 CYS A 50 7.740 14.378 -0.952 1.00 10.52 H new ATOM 0 HB3 CYS A 50 6.310 15.355 -0.685 1.00 10.52 H new ATOM 0 HG CYS A 50 6.380 12.077 -1.692 1.00 23.31 H new ATOM 795 N GLY A 51 9.086 15.997 -2.945 1.00 35.33 N ATOM 796 CA GLY A 51 10.092 17.044 -2.943 1.00 52.24 C ATOM 797 C GLY A 51 10.387 17.529 -1.539 1.00 30.01 C ATOM 798 O GLY A 51 10.993 18.583 -1.341 1.00 11.52 O ATOM 0 H GLY A 51 9.451 15.052 -3.059 1.00 35.33 H new ATOM 0 HA2 GLY A 51 11.008 16.670 -3.400 1.00 52.24 H new ATOM 0 HA3 GLY A 51 9.750 17.880 -3.553 1.00 52.24 H new ATOM 802 N THR A 52 9.945 16.750 -0.563 1.00 64.54 N ATOM 803 CA THR A 52 10.110 17.079 0.843 1.00 12.55 C ATOM 804 C THR A 52 10.131 15.781 1.649 1.00 5.22 C ATOM 805 O THR A 52 9.783 14.724 1.117 1.00 43.15 O ATOM 806 CB THR A 52 8.952 17.986 1.335 1.00 11.01 C ATOM 807 OG1 THR A 52 8.707 19.027 0.379 1.00 51.22 O ATOM 808 CG2 THR A 52 9.275 18.620 2.682 1.00 35.50 C ATOM 0 H THR A 52 9.460 15.868 -0.726 1.00 64.54 H new ATOM 0 HA THR A 52 11.045 17.622 0.979 1.00 12.55 H new ATOM 0 HB THR A 52 8.067 17.360 1.447 1.00 11.01 H new ATOM 0 HG1 THR A 52 7.974 19.595 0.695 1.00 51.22 H new ATOM 0 HG21 THR A 52 8.442 19.249 2.997 1.00 35.50 H new ATOM 0 HG22 THR A 52 9.439 17.837 3.423 1.00 35.50 H new ATOM 0 HG23 THR A 52 10.175 19.228 2.591 1.00 35.50 H new ATOM 816 N SER A 53 10.549 15.851 2.907 1.00 34.34 N ATOM 817 CA SER A 53 10.550 14.682 3.773 1.00 21.23 C ATOM 818 C SER A 53 9.130 14.137 3.931 1.00 20.11 C ATOM 819 O SER A 53 8.182 14.894 4.138 1.00 42.30 O ATOM 820 CB SER A 53 11.145 15.047 5.134 1.00 13.42 C ATOM 821 OG SER A 53 12.428 15.630 4.977 1.00 63.20 O ATOM 0 H SER A 53 10.891 16.705 3.348 1.00 34.34 H new ATOM 0 HA SER A 53 11.164 13.903 3.321 1.00 21.23 H new ATOM 0 HB2 SER A 53 10.484 15.743 5.651 1.00 13.42 H new ATOM 0 HB3 SER A 53 11.218 14.155 5.756 1.00 13.42 H new ATOM 0 HG SER A 53 12.793 15.859 5.857 1.00 63.20 H new ATOM 827 N VAL A 54 8.994 12.822 3.841 1.00 71.23 N ATOM 828 CA VAL A 54 7.684 12.178 3.844 1.00 73.52 C ATOM 829 C VAL A 54 7.196 11.913 5.268 1.00 64.13 C ATOM 830 O VAL A 54 6.353 11.044 5.498 1.00 30.12 O ATOM 831 CB VAL A 54 7.713 10.852 3.051 1.00 20.24 C ATOM 832 CG1 VAL A 54 8.005 11.119 1.581 1.00 1.30 C ATOM 833 CG2 VAL A 54 8.743 9.890 3.637 1.00 65.15 C ATOM 0 H VAL A 54 9.779 12.175 3.764 1.00 71.23 H new ATOM 0 HA VAL A 54 6.990 12.865 3.360 1.00 73.52 H new ATOM 0 HB VAL A 54 6.731 10.385 3.130 1.00 20.24 H new ATOM 0 HG11 VAL A 54 8.022 10.175 1.036 1.00 1.30 H new ATOM 0 HG12 VAL A 54 7.229 11.763 1.167 1.00 1.30 H new ATOM 0 HG13 VAL A 54 8.973 11.610 1.486 1.00 1.30 H new ATOM 0 HG21 VAL A 54 8.745 8.964 3.062 1.00 65.15 H new ATOM 0 HG22 VAL A 54 9.732 10.346 3.594 1.00 65.15 H new ATOM 0 HG23 VAL A 54 8.489 9.672 4.674 1.00 65.15 H new ATOM 843 N ASN A 55 7.697 12.703 6.207 1.00 63.34 N ATOM 844 CA ASN A 55 7.395 12.523 7.624 1.00 43.51 C ATOM 845 C ASN A 55 5.913 12.757 7.916 1.00 31.24 C ATOM 846 O ASN A 55 5.303 12.015 8.679 1.00 75.22 O ATOM 847 CB ASN A 55 8.260 13.469 8.464 1.00 61.13 C ATOM 848 CG ASN A 55 8.017 13.324 9.956 1.00 55.42 C ATOM 849 OD1 ASN A 55 8.576 12.436 10.601 1.00 60.31 O ATOM 850 ND2 ASN A 55 7.218 14.215 10.521 1.00 15.41 N ATOM 0 H ASN A 55 8.322 13.485 6.011 1.00 63.34 H new ATOM 0 HA ASN A 55 7.624 11.491 7.891 1.00 43.51 H new ATOM 0 HB2 ASN A 55 9.312 13.276 8.252 1.00 61.13 H new ATOM 0 HB3 ASN A 55 8.058 14.498 8.166 1.00 61.13 H new ATOM 0 HD21 ASN A 55 7.047 14.181 11.526 1.00 15.41 H new ATOM 0 HD22 ASN A 55 6.774 14.935 9.952 1.00 15.41 H new ATOM 857 N SER A 56 5.336 13.780 7.300 1.00 24.33 N ATOM 858 CA SER A 56 3.940 14.131 7.546 1.00 0.31 C ATOM 859 C SER A 56 2.979 13.137 6.891 1.00 21.01 C ATOM 860 O SER A 56 1.815 13.034 7.276 1.00 24.13 O ATOM 861 CB SER A 56 3.667 15.541 7.028 1.00 32.42 C ATOM 862 OG SER A 56 4.560 16.471 7.614 1.00 54.44 O ATOM 0 H SER A 56 5.810 14.382 6.627 1.00 24.33 H new ATOM 0 HA SER A 56 3.769 14.093 8.622 1.00 0.31 H new ATOM 0 HB2 SER A 56 3.772 15.562 5.943 1.00 32.42 H new ATOM 0 HB3 SER A 56 2.639 15.824 7.254 1.00 32.42 H new ATOM 0 HG SER A 56 4.371 17.368 7.269 1.00 54.44 H new ATOM 868 N MET A 57 3.473 12.399 5.906 1.00 55.24 N ATOM 869 CA MET A 57 2.640 11.457 5.177 1.00 20.14 C ATOM 870 C MET A 57 2.684 10.083 5.833 1.00 15.22 C ATOM 871 O MET A 57 3.558 9.265 5.537 1.00 43.54 O ATOM 872 CB MET A 57 3.087 11.369 3.714 1.00 40.52 C ATOM 873 CG MET A 57 2.219 10.458 2.856 1.00 53.04 C ATOM 874 SD MET A 57 2.746 10.420 1.131 1.00 12.21 S ATOM 875 CE MET A 57 4.410 9.777 1.302 1.00 55.14 C ATOM 0 H MET A 57 4.444 12.435 5.595 1.00 55.24 H new ATOM 0 HA MET A 57 1.611 11.816 5.203 1.00 20.14 H new ATOM 0 HB2 MET A 57 3.083 12.370 3.282 1.00 40.52 H new ATOM 0 HB3 MET A 57 4.116 11.011 3.680 1.00 40.52 H new ATOM 0 HG2 MET A 57 2.247 9.447 3.263 1.00 53.04 H new ATOM 0 HG3 MET A 57 1.183 10.794 2.908 1.00 53.04 H new ATOM 0 HE1 MET A 57 4.859 9.661 0.315 1.00 55.14 H new ATOM 0 HE2 MET A 57 5.009 10.469 1.894 1.00 55.14 H new ATOM 0 HE3 MET A 57 4.376 8.809 1.801 1.00 55.14 H new ATOM 885 N ALA A 58 1.755 9.846 6.746 1.00 5.02 N ATOM 886 CA ALA A 58 1.691 8.579 7.462 1.00 14.22 C ATOM 887 C ALA A 58 0.652 7.648 6.845 1.00 64.21 C ATOM 888 O ALA A 58 -0.392 8.096 6.361 1.00 61.13 O ATOM 889 CB ALA A 58 1.379 8.821 8.930 1.00 62.50 C ATOM 0 H ALA A 58 1.032 10.516 7.010 1.00 5.02 H new ATOM 0 HA ALA A 58 2.664 8.095 7.381 1.00 14.22 H new ATOM 0 HB1 ALA A 58 1.334 7.867 9.455 1.00 62.50 H new ATOM 0 HB2 ALA A 58 2.160 9.441 9.371 1.00 62.50 H new ATOM 0 HB3 ALA A 58 0.419 9.330 9.019 1.00 62.50 H new ATOM 895 N LEU A 59 0.944 6.356 6.864 1.00 20.22 N ATOM 896 CA LEU A 59 0.034 5.355 6.330 1.00 31.41 C ATOM 897 C LEU A 59 -0.689 4.625 7.457 1.00 10.30 C ATOM 898 O LEU A 59 -0.083 3.842 8.189 1.00 33.44 O ATOM 899 CB LEU A 59 0.797 4.348 5.464 1.00 71.23 C ATOM 900 CG LEU A 59 1.512 4.939 4.247 1.00 0.45 C ATOM 901 CD1 LEU A 59 2.272 3.853 3.502 1.00 74.22 C ATOM 902 CD2 LEU A 59 0.516 5.625 3.328 1.00 64.44 C ATOM 0 H LEU A 59 1.810 5.975 7.246 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.706 5.865 5.714 1.00 31.41 H new ATOM 0 HB2 LEU A 59 1.535 3.843 6.088 1.00 71.23 H new ATOM 0 HB3 LEU A 59 0.097 3.587 5.119 1.00 71.23 H new ATOM 0 HG LEU A 59 2.228 5.685 4.591 1.00 0.45 H new ATOM 0 HD11 LEU A 59 2.776 4.288 2.639 1.00 74.22 H new ATOM 0 HD12 LEU A 59 3.012 3.406 4.166 1.00 74.22 H new ATOM 0 HD13 LEU A 59 1.574 3.086 3.166 1.00 74.22 H new ATOM 0 HD21 LEU A 59 1.041 6.040 2.467 1.00 64.44 H new ATOM 0 HD22 LEU A 59 -0.224 4.900 2.987 1.00 64.44 H new ATOM 0 HD23 LEU A 59 0.015 6.428 3.869 1.00 64.44 H new ATOM 914 N GLU A 60 -1.976 4.899 7.601 1.00 25.15 N ATOM 915 CA GLU A 60 -2.805 4.208 8.576 1.00 74.12 C ATOM 916 C GLU A 60 -3.232 2.853 8.038 1.00 53.32 C ATOM 917 O GLU A 60 -4.043 2.764 7.118 1.00 10.11 O ATOM 918 CB GLU A 60 -4.031 5.052 8.920 1.00 33.23 C ATOM 919 CG GLU A 60 -3.818 5.997 10.089 1.00 1.33 C ATOM 920 CD GLU A 60 -3.989 5.314 11.431 1.00 23.33 C ATOM 921 OE1 GLU A 60 -3.080 4.575 11.853 1.00 14.32 O ATOM 922 OE2 GLU A 60 -5.049 5.517 12.070 1.00 20.15 O ATOM 0 H GLU A 60 -2.472 5.600 7.051 1.00 25.15 H new ATOM 0 HA GLU A 60 -2.222 4.054 9.484 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -4.318 5.633 8.043 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.865 4.388 9.149 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -2.817 6.424 10.028 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -4.523 6.825 10.015 1.00 1.33 H new ATOM 929 N LEU A 61 -2.673 1.799 8.607 1.00 52.12 N ATOM 930 CA LEU A 61 -2.973 0.449 8.163 1.00 44.25 C ATOM 931 C LEU A 61 -4.131 -0.128 8.970 1.00 52.01 C ATOM 932 O LEU A 61 -3.954 -0.561 10.112 1.00 34.22 O ATOM 933 CB LEU A 61 -1.730 -0.437 8.289 1.00 14.23 C ATOM 934 CG LEU A 61 -1.860 -1.841 7.694 1.00 22.31 C ATOM 935 CD1 LEU A 61 -2.154 -1.767 6.204 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.594 -2.639 7.948 1.00 34.23 C ATOM 0 H LEU A 61 -2.008 1.852 9.379 1.00 52.12 H new ATOM 0 HA LEU A 61 -3.269 0.480 7.114 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.894 0.068 7.805 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.477 -0.531 9.345 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.694 -2.347 8.181 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -2.243 -2.776 5.800 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -3.088 -1.228 6.044 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -1.342 -1.244 5.699 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.700 -3.636 7.520 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.254 -2.133 7.485 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.425 -2.722 9.022 1.00 34.23 H new ATOM 948 N TYR A 62 -5.317 -0.104 8.381 1.00 61.14 N ATOM 949 CA TYR A 62 -6.510 -0.606 9.048 1.00 2.11 C ATOM 950 C TYR A 62 -6.841 -2.018 8.588 1.00 61.41 C ATOM 951 O TYR A 62 -6.518 -2.409 7.463 1.00 72.31 O ATOM 952 CB TYR A 62 -7.717 0.288 8.758 1.00 3.42 C ATOM 953 CG TYR A 62 -7.578 1.717 9.230 1.00 33.02 C ATOM 954 CD1 TYR A 62 -7.503 2.024 10.582 1.00 71.01 C ATOM 955 CD2 TYR A 62 -7.544 2.762 8.318 1.00 32.31 C ATOM 956 CE1 TYR A 62 -7.393 3.334 11.009 1.00 34.21 C ATOM 957 CE2 TYR A 62 -7.439 4.073 8.740 1.00 3.24 C ATOM 958 CZ TYR A 62 -7.363 4.352 10.085 1.00 71.51 C ATOM 959 OH TYR A 62 -7.254 5.658 10.508 1.00 42.20 O ATOM 0 H TYR A 62 -5.480 0.258 7.441 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.299 -0.607 10.117 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.898 0.292 7.683 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.597 -0.151 9.228 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -7.531 1.227 11.311 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -7.601 2.547 7.261 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -7.331 3.557 12.064 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -7.417 4.875 8.017 1.00 3.24 H new ATOM 0 HH TYR A 62 -6.495 5.741 11.122 1.00 42.20 H new ATOM 969 N ASP A 63 -7.491 -2.769 9.462 1.00 1.43 N ATOM 970 CA ASP A 63 -8.012 -4.079 9.118 1.00 11.23 C ATOM 971 C ASP A 63 -9.502 -4.117 9.463 1.00 2.14 C ATOM 972 O ASP A 63 -10.077 -3.089 9.825 1.00 41.23 O ATOM 973 CB ASP A 63 -7.248 -5.181 9.859 1.00 75.31 C ATOM 974 CG ASP A 63 -7.653 -5.311 11.311 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.361 -4.400 12.109 1.00 53.31 O ATOM 976 OD2 ASP A 63 -8.277 -6.335 11.655 1.00 43.34 O ATOM 0 H ASP A 63 -7.671 -2.488 10.426 1.00 1.43 H new ATOM 0 HA ASP A 63 -7.881 -4.258 8.051 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -7.415 -6.133 9.355 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -6.179 -4.974 9.803 1.00 75.31 H new ATOM 981 N ASP A 64 -10.133 -5.281 9.353 1.00 4.20 N ATOM 982 CA ASP A 64 -11.573 -5.376 9.596 1.00 5.02 C ATOM 983 C ASP A 64 -11.894 -6.213 10.832 1.00 55.24 C ATOM 984 O ASP A 64 -13.059 -6.370 11.189 1.00 31.43 O ATOM 985 CB ASP A 64 -12.296 -5.975 8.387 1.00 34.42 C ATOM 986 CG ASP A 64 -12.271 -5.073 7.172 1.00 73.43 C ATOM 987 OD1 ASP A 64 -12.829 -3.950 7.233 1.00 53.30 O ATOM 988 OD2 ASP A 64 -11.718 -5.491 6.134 1.00 71.13 O ATOM 0 H ASP A 64 -9.682 -6.160 9.101 1.00 4.20 H new ATOM 0 HA ASP A 64 -11.924 -4.358 9.766 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -11.836 -6.930 8.133 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -13.332 -6.182 8.657 1.00 34.42 H new ATOM 993 N SER A 65 -10.872 -6.745 11.481 1.00 53.42 N ATOM 994 CA SER A 65 -11.070 -7.599 12.644 1.00 34.11 C ATOM 995 C SER A 65 -10.760 -6.824 13.925 1.00 25.34 C ATOM 996 O SER A 65 -11.514 -6.878 14.901 1.00 32.22 O ATOM 997 CB SER A 65 -10.179 -8.844 12.531 1.00 23.22 C ATOM 998 OG SER A 65 -10.471 -9.796 13.541 1.00 30.12 O ATOM 0 H SER A 65 -9.896 -6.602 11.223 1.00 53.42 H new ATOM 0 HA SER A 65 -12.111 -7.919 12.683 1.00 34.11 H new ATOM 0 HB2 SER A 65 -10.316 -9.301 11.551 1.00 23.22 H new ATOM 0 HB3 SER A 65 -9.132 -8.549 12.602 1.00 23.22 H new ATOM 0 HG SER A 65 -9.885 -10.575 13.436 1.00 30.12 H new ATOM 1004 N GLY A 66 -9.655 -6.097 13.904 1.00 62.34 N ATOM 1005 CA GLY A 66 -9.279 -5.277 15.032 1.00 23.35 C ATOM 1006 C GLY A 66 -9.590 -3.820 14.785 1.00 30.24 C ATOM 1007 O GLY A 66 -10.752 -3.411 14.823 1.00 60.44 O ATOM 0 H GLY A 66 -9.007 -6.061 13.117 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -9.808 -5.617 15.923 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -8.213 -5.394 15.229 1.00 23.35 H new ATOM 1011 N SER A 67 -8.556 -3.040 14.520 1.00 65.02 N ATOM 1012 CA SER A 67 -8.706 -1.626 14.202 1.00 11.31 C ATOM 1013 C SER A 67 -7.475 -1.128 13.453 1.00 75.32 C ATOM 1014 O SER A 67 -7.568 -0.678 12.311 1.00 43.41 O ATOM 1015 CB SER A 67 -8.918 -0.791 15.472 1.00 3.55 C ATOM 1016 OG SER A 67 -10.090 -1.187 16.166 1.00 12.21 O ATOM 0 H SER A 67 -7.590 -3.366 14.519 1.00 65.02 H new ATOM 0 HA SER A 67 -9.587 -1.512 13.570 1.00 11.31 H new ATOM 0 HB2 SER A 67 -8.053 -0.897 16.127 1.00 3.55 H new ATOM 0 HB3 SER A 67 -8.990 0.264 15.207 1.00 3.55 H new ATOM 0 HG SER A 67 -10.639 -1.753 15.584 1.00 12.21 H new ATOM 1022 N LYS A 68 -6.317 -1.225 14.101 1.00 11.34 N ATOM 1023 CA LYS A 68 -5.066 -0.790 13.504 1.00 12.01 C ATOM 1024 C LYS A 68 -4.043 -1.913 13.555 1.00 43.03 C ATOM 1025 O LYS A 68 -3.683 -2.388 14.632 1.00 22.42 O ATOM 1026 CB LYS A 68 -4.500 0.435 14.230 1.00 11.52 C ATOM 1027 CG LYS A 68 -5.462 1.603 14.329 1.00 54.44 C ATOM 1028 CD LYS A 68 -4.782 2.808 14.951 1.00 32.53 C ATOM 1029 CE LYS A 68 -5.765 3.932 15.230 1.00 42.22 C ATOM 1030 NZ LYS A 68 -6.475 4.382 14.005 1.00 40.21 N ATOM 0 H LYS A 68 -6.223 -1.603 15.044 1.00 11.34 H new ATOM 0 HA LYS A 68 -5.271 -0.521 12.468 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -4.201 0.140 15.236 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -3.599 0.765 13.713 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -5.832 1.860 13.337 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -6.327 1.318 14.928 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -4.297 2.511 15.881 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -3.999 3.168 14.283 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -6.495 3.598 15.967 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -5.232 4.776 15.669 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -6.848 5.342 14.153 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -5.814 4.387 13.202 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -7.261 3.733 13.801 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.572 -2.329 12.394 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.565 -3.378 12.310 1.00 60.42 C ATOM 1046 C VAL A 69 -1.241 -2.817 11.805 1.00 75.05 C ATOM 1047 O VAL A 69 -0.401 -3.546 11.283 1.00 41.22 O ATOM 1048 CB VAL A 69 -3.019 -4.534 11.394 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -4.117 -5.345 12.062 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.487 -4.002 10.048 1.00 71.31 C ATOM 0 H VAL A 69 -3.870 -1.957 11.492 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.429 -3.772 13.317 1.00 60.42 H new ATOM 0 HB VAL A 69 -2.165 -5.190 11.222 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -4.424 -6.155 11.401 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.744 -5.761 12.998 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.972 -4.701 12.267 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.803 -4.834 9.418 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -4.325 -3.321 10.197 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.669 -3.469 9.563 1.00 71.31 H new ATOM 1060 N ALA A 70 -1.057 -1.515 11.984 1.00 42.43 N ATOM 1061 CA ALA A 70 0.165 -0.849 11.560 1.00 4.24 C ATOM 1062 C ALA A 70 1.326 -1.196 12.485 1.00 41.32 C ATOM 1063 O ALA A 70 1.503 -0.572 13.535 1.00 21.12 O ATOM 1064 CB ALA A 70 -0.045 0.656 11.509 1.00 72.42 C ATOM 0 H ALA A 70 -1.742 -0.899 12.422 1.00 42.43 H new ATOM 0 HA ALA A 70 0.416 -1.201 10.559 1.00 4.24 H new ATOM 0 HB1 ALA A 70 0.877 1.141 11.190 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.841 0.889 10.801 1.00 72.42 H new ATOM 0 HB3 ALA A 70 -0.322 1.018 12.499 1.00 72.42 H new ATOM 1070 N VAL A 71 2.091 -2.212 12.101 1.00 31.30 N ATOM 1071 CA VAL A 71 3.268 -2.619 12.857 1.00 31.03 C ATOM 1072 C VAL A 71 4.367 -1.569 12.730 1.00 60.25 C ATOM 1073 O VAL A 71 4.929 -1.119 13.729 1.00 3.34 O ATOM 1074 CB VAL A 71 3.803 -3.989 12.378 1.00 53.23 C ATOM 1075 CG1 VAL A 71 5.023 -4.411 13.185 1.00 35.24 C ATOM 1076 CG2 VAL A 71 2.714 -5.047 12.462 1.00 50.24 C ATOM 0 H VAL A 71 1.915 -2.771 11.266 1.00 31.30 H new ATOM 0 HA VAL A 71 2.972 -2.713 13.902 1.00 31.03 H new ATOM 0 HB VAL A 71 4.106 -3.887 11.336 1.00 53.23 H new ATOM 0 HG11 VAL A 71 5.379 -5.377 12.828 1.00 35.24 H new ATOM 0 HG12 VAL A 71 5.812 -3.668 13.068 1.00 35.24 H new ATOM 0 HG13 VAL A 71 4.753 -4.490 14.238 1.00 35.24 H new ATOM 0 HG21 VAL A 71 3.109 -6.004 12.121 1.00 50.24 H new ATOM 0 HG22 VAL A 71 2.377 -5.141 13.494 1.00 50.24 H new ATOM 0 HG23 VAL A 71 1.874 -4.756 11.831 1.00 50.24 H new ATOM 1086 N LEU A 72 4.676 -1.205 11.486 1.00 44.53 N ATOM 1087 CA LEU A 72 5.617 -0.124 11.186 1.00 40.44 C ATOM 1088 C LEU A 72 7.036 -0.484 11.647 1.00 53.22 C ATOM 1089 O LEU A 72 7.848 0.388 11.949 1.00 32.30 O ATOM 1090 CB LEU A 72 5.145 1.190 11.838 1.00 44.23 C ATOM 1091 CG LEU A 72 5.880 2.452 11.379 1.00 60.05 C ATOM 1092 CD1 LEU A 72 5.678 2.681 9.890 1.00 52.41 C ATOM 1093 CD2 LEU A 72 5.413 3.659 12.179 1.00 63.10 C ATOM 0 H LEU A 72 4.282 -1.650 10.657 1.00 44.53 H new ATOM 0 HA LEU A 72 5.645 0.016 10.105 1.00 40.44 H new ATOM 0 HB2 LEU A 72 4.082 1.315 11.634 1.00 44.23 H new ATOM 0 HB3 LEU A 72 5.254 1.099 12.919 1.00 44.23 H new ATOM 0 HG LEU A 72 6.946 2.313 11.557 1.00 60.05 H new ATOM 0 HD11 LEU A 72 6.209 3.583 9.585 1.00 52.41 H new ATOM 0 HD12 LEU A 72 6.065 1.827 9.335 1.00 52.41 H new ATOM 0 HD13 LEU A 72 4.615 2.798 9.681 1.00 52.41 H new ATOM 0 HD21 LEU A 72 5.945 4.548 11.840 1.00 63.10 H new ATOM 0 HD22 LEU A 72 4.342 3.800 12.033 1.00 63.10 H new ATOM 0 HD23 LEU A 72 5.617 3.495 13.237 1.00 63.10 H new ATOM 1105 N SER A 73 7.327 -1.774 11.690 1.00 4.43 N ATOM 1106 CA SER A 73 8.674 -2.249 11.995 1.00 34.33 C ATOM 1107 C SER A 73 9.168 -3.091 10.825 1.00 73.41 C ATOM 1108 O SER A 73 10.308 -3.553 10.784 1.00 62.11 O ATOM 1109 CB SER A 73 8.661 -3.066 13.292 1.00 41.22 C ATOM 1110 OG SER A 73 9.967 -3.481 13.672 1.00 31.40 O ATOM 0 H SER A 73 6.649 -2.516 11.517 1.00 4.43 H new ATOM 0 HA SER A 73 9.348 -1.405 12.140 1.00 34.33 H new ATOM 0 HB2 SER A 73 8.223 -2.469 14.092 1.00 41.22 H new ATOM 0 HB3 SER A 73 8.025 -3.942 13.163 1.00 41.22 H new ATOM 0 HG SER A 73 10.481 -3.719 12.872 1.00 31.40 H new ATOM 1116 N ASP A 74 8.271 -3.263 9.868 1.00 3.33 N ATOM 1117 CA ASP A 74 8.503 -4.071 8.682 1.00 34.51 C ATOM 1118 C ASP A 74 8.825 -3.182 7.487 1.00 33.50 C ATOM 1119 O ASP A 74 8.998 -3.663 6.369 1.00 34.14 O ATOM 1120 CB ASP A 74 7.246 -4.893 8.397 1.00 43.22 C ATOM 1121 CG ASP A 74 5.993 -4.032 8.427 1.00 35.34 C ATOM 1122 OD1 ASP A 74 5.601 -3.583 9.536 1.00 72.25 O ATOM 1123 OD2 ASP A 74 5.409 -3.791 7.355 1.00 52.13 O ATOM 0 H ASP A 74 7.344 -2.837 9.894 1.00 3.33 H new ATOM 0 HA ASP A 74 9.352 -4.733 8.852 1.00 34.51 H new ATOM 0 HB2 ASP A 74 7.337 -5.370 7.421 1.00 43.22 H new ATOM 0 HB3 ASP A 74 7.157 -5.690 9.135 1.00 43.22 H new ATOM 1128 N ASP A 75 8.947 -1.886 7.751 1.00 14.01 N ATOM 1129 CA ASP A 75 9.105 -0.878 6.705 1.00 14.04 C ATOM 1130 C ASP A 75 10.364 -1.107 5.868 1.00 72.41 C ATOM 1131 O ASP A 75 10.329 -1.011 4.640 1.00 44.35 O ATOM 1132 CB ASP A 75 9.148 0.522 7.324 1.00 1.45 C ATOM 1133 CG ASP A 75 10.361 0.732 8.209 1.00 72.43 C ATOM 1134 OD1 ASP A 75 10.383 0.200 9.337 1.00 31.44 O ATOM 1135 OD2 ASP A 75 11.307 1.414 7.770 1.00 22.14 O ATOM 0 H ASP A 75 8.939 -1.503 8.696 1.00 14.01 H new ATOM 0 HA ASP A 75 8.244 -0.964 6.042 1.00 14.04 H new ATOM 0 HB2 ASP A 75 9.150 1.267 6.528 1.00 1.45 H new ATOM 0 HB3 ASP A 75 8.243 0.684 7.910 1.00 1.45 H new ATOM 1140 N SER A 76 11.470 -1.413 6.529 1.00 53.01 N ATOM 1141 CA SER A 76 12.745 -1.557 5.842 1.00 2.22 C ATOM 1142 C SER A 76 13.001 -3.013 5.463 1.00 60.43 C ATOM 1143 O SER A 76 14.078 -3.366 4.980 1.00 63.21 O ATOM 1144 CB SER A 76 13.872 -1.025 6.724 1.00 3.50 C ATOM 1145 OG SER A 76 13.685 0.354 7.028 1.00 62.35 O ATOM 0 H SER A 76 11.511 -1.566 7.537 1.00 53.01 H new ATOM 0 HA SER A 76 12.711 -0.975 4.921 1.00 2.22 H new ATOM 0 HB2 SER A 76 13.916 -1.601 7.649 1.00 3.50 H new ATOM 0 HB3 SER A 76 14.828 -1.162 6.218 1.00 3.50 H new ATOM 0 HG SER A 76 12.797 0.485 7.420 1.00 62.35 H new ATOM 1151 N ARG A 77 12.001 -3.855 5.677 1.00 22.54 N ATOM 1152 CA ARG A 77 12.094 -5.258 5.308 1.00 61.22 C ATOM 1153 C ARG A 77 11.218 -5.511 4.091 1.00 12.44 C ATOM 1154 O ARG A 77 10.231 -4.806 3.886 1.00 11.43 O ATOM 1155 CB ARG A 77 11.631 -6.159 6.461 1.00 61.24 C ATOM 1156 CG ARG A 77 12.298 -5.871 7.799 1.00 60.41 C ATOM 1157 CD ARG A 77 13.816 -5.979 7.726 1.00 32.53 C ATOM 1158 NE ARG A 77 14.260 -7.241 7.133 1.00 13.15 N ATOM 1159 CZ ARG A 77 14.448 -8.373 7.818 1.00 13.02 C ATOM 1160 NH1 ARG A 77 14.154 -8.434 9.113 1.00 34.25 N ATOM 1161 NH2 ARG A 77 14.914 -9.448 7.197 1.00 10.13 N ATOM 0 H ARG A 77 11.114 -3.589 6.105 1.00 22.54 H new ATOM 0 HA ARG A 77 13.134 -5.492 5.082 1.00 61.22 H new ATOM 0 HB2 ARG A 77 10.553 -6.052 6.577 1.00 61.24 H new ATOM 0 HB3 ARG A 77 11.821 -7.198 6.191 1.00 61.24 H new ATOM 0 HG2 ARG A 77 12.023 -4.870 8.131 1.00 60.41 H new ATOM 0 HG3 ARG A 77 11.922 -6.569 8.547 1.00 60.41 H new ATOM 0 HD2 ARG A 77 14.208 -5.148 7.140 1.00 32.53 H new ATOM 0 HD3 ARG A 77 14.232 -5.886 8.729 1.00 32.53 H new ATOM 0 HE ARG A 77 14.438 -7.258 6.129 1.00 13.15 H new ATOM 0 HH11 ARG A 77 13.782 -7.613 9.591 1.00 34.25 H new ATOM 0 HH12 ARG A 77 14.300 -9.302 9.629 1.00 34.25 H new ATOM 0 HH21 ARG A 77 15.127 -9.409 6.200 1.00 10.13 H new ATOM 0 HH22 ARG A 77 15.059 -10.314 7.716 1.00 10.13 H new ATOM 1175 N PRO A 78 11.571 -6.490 3.246 1.00 35.41 N ATOM 1176 CA PRO A 78 10.706 -6.910 2.149 1.00 3.24 C ATOM 1177 C PRO A 78 9.331 -7.311 2.673 1.00 23.53 C ATOM 1178 O PRO A 78 9.219 -8.169 3.549 1.00 74.13 O ATOM 1179 CB PRO A 78 11.431 -8.115 1.534 1.00 41.20 C ATOM 1180 CG PRO A 78 12.499 -8.490 2.510 1.00 4.11 C ATOM 1181 CD PRO A 78 12.833 -7.242 3.279 1.00 51.31 C ATOM 0 HA PRO A 78 10.535 -6.116 1.423 1.00 3.24 H new ATOM 0 HB2 PRO A 78 10.742 -8.944 1.371 1.00 41.20 H new ATOM 0 HB3 PRO A 78 11.859 -7.860 0.565 1.00 41.20 H new ATOM 0 HG2 PRO A 78 12.153 -9.277 3.180 1.00 4.11 H new ATOM 0 HG3 PRO A 78 13.379 -8.874 1.994 1.00 4.11 H new ATOM 0 HD2 PRO A 78 13.143 -7.467 4.300 1.00 51.31 H new ATOM 0 HD3 PRO A 78 13.647 -6.686 2.814 1.00 51.31 H new ATOM 1189 N LEU A 79 8.289 -6.681 2.145 1.00 23.34 N ATOM 1190 CA LEU A 79 6.933 -6.867 2.654 1.00 12.33 C ATOM 1191 C LEU A 79 6.508 -8.336 2.594 1.00 0.45 C ATOM 1192 O LEU A 79 5.856 -8.844 3.504 1.00 52.02 O ATOM 1193 CB LEU A 79 5.958 -5.985 1.864 1.00 62.02 C ATOM 1194 CG LEU A 79 4.545 -5.876 2.438 1.00 24.00 C ATOM 1195 CD1 LEU A 79 4.577 -5.261 3.833 1.00 75.53 C ATOM 1196 CD2 LEU A 79 3.660 -5.057 1.508 1.00 11.11 C ATOM 0 H LEU A 79 8.356 -6.033 1.360 1.00 23.34 H new ATOM 0 HA LEU A 79 6.915 -6.568 3.702 1.00 12.33 H new ATOM 0 HB2 LEU A 79 6.380 -4.982 1.794 1.00 62.02 H new ATOM 0 HB3 LEU A 79 5.888 -6.373 0.848 1.00 62.02 H new ATOM 0 HG LEU A 79 4.125 -6.879 2.520 1.00 24.00 H new ATOM 0 HD11 LEU A 79 3.562 -5.192 4.224 1.00 75.53 H new ATOM 0 HD12 LEU A 79 5.178 -5.887 4.493 1.00 75.53 H new ATOM 0 HD13 LEU A 79 5.014 -4.264 3.781 1.00 75.53 H new ATOM 0 HD21 LEU A 79 2.657 -4.987 1.928 1.00 11.11 H new ATOM 0 HD22 LEU A 79 4.077 -4.056 1.397 1.00 11.11 H new ATOM 0 HD23 LEU A 79 3.612 -5.541 0.532 1.00 11.11 H new ATOM 1208 N GLY A 80 6.908 -9.020 1.531 1.00 51.51 N ATOM 1209 CA GLY A 80 6.588 -10.429 1.372 1.00 73.41 C ATOM 1210 C GLY A 80 7.341 -11.314 2.351 1.00 45.33 C ATOM 1211 O GLY A 80 7.019 -12.490 2.509 1.00 34.12 O ATOM 0 H GLY A 80 7.454 -8.621 0.767 1.00 51.51 H new ATOM 0 HA2 GLY A 80 5.516 -10.572 1.509 1.00 73.41 H new ATOM 0 HA3 GLY A 80 6.823 -10.738 0.354 1.00 73.41 H new ATOM 1215 N PHE A 81 8.342 -10.749 3.008 1.00 70.25 N ATOM 1216 CA PHE A 81 9.108 -11.476 4.008 1.00 15.52 C ATOM 1217 C PHE A 81 8.379 -11.409 5.346 1.00 41.11 C ATOM 1218 O PHE A 81 8.508 -12.294 6.192 1.00 73.21 O ATOM 1219 CB PHE A 81 10.511 -10.878 4.119 1.00 73.15 C ATOM 1220 CG PHE A 81 11.465 -11.674 4.963 1.00 53.13 C ATOM 1221 CD1 PHE A 81 12.046 -12.828 4.466 1.00 72.42 C ATOM 1222 CD2 PHE A 81 11.785 -11.264 6.247 1.00 73.43 C ATOM 1223 CE1 PHE A 81 12.933 -13.556 5.232 1.00 62.05 C ATOM 1224 CE2 PHE A 81 12.670 -11.991 7.018 1.00 71.25 C ATOM 1225 CZ PHE A 81 13.244 -13.136 6.509 1.00 11.13 C ATOM 0 H PHE A 81 8.644 -9.785 2.866 1.00 70.25 H new ATOM 0 HA PHE A 81 9.205 -12.521 3.715 1.00 15.52 H new ATOM 0 HB2 PHE A 81 10.929 -10.778 3.117 1.00 73.15 H new ATOM 0 HB3 PHE A 81 10.432 -9.873 4.533 1.00 73.15 H new ATOM 0 HD1 PHE A 81 11.802 -13.162 3.468 1.00 72.42 H new ATOM 0 HD2 PHE A 81 11.338 -10.367 6.649 1.00 73.43 H new ATOM 0 HE1 PHE A 81 13.383 -14.453 4.833 1.00 62.05 H new ATOM 0 HE2 PHE A 81 12.912 -11.663 8.018 1.00 71.25 H new ATOM 0 HZ PHE A 81 13.938 -13.705 7.110 1.00 11.13 H new ATOM 1235 N PHE A 82 7.609 -10.342 5.518 1.00 44.14 N ATOM 1236 CA PHE A 82 6.745 -10.189 6.679 1.00 34.43 C ATOM 1237 C PHE A 82 5.439 -10.944 6.441 1.00 14.40 C ATOM 1238 O PHE A 82 4.835 -11.469 7.377 1.00 72.15 O ATOM 1239 CB PHE A 82 6.470 -8.702 6.937 1.00 70.31 C ATOM 1240 CG PHE A 82 5.582 -8.436 8.120 1.00 51.24 C ATOM 1241 CD1 PHE A 82 6.075 -8.535 9.413 1.00 50.15 C ATOM 1242 CD2 PHE A 82 4.253 -8.083 7.940 1.00 52.03 C ATOM 1243 CE1 PHE A 82 5.260 -8.283 10.501 1.00 0.52 C ATOM 1244 CE2 PHE A 82 3.435 -7.831 9.024 1.00 12.50 C ATOM 1245 CZ PHE A 82 3.938 -7.932 10.307 1.00 34.43 C ATOM 0 H PHE A 82 7.566 -9.563 4.860 1.00 44.14 H new ATOM 0 HA PHE A 82 7.238 -10.603 7.558 1.00 34.43 H new ATOM 0 HB2 PHE A 82 7.420 -8.189 7.087 1.00 70.31 H new ATOM 0 HB3 PHE A 82 6.011 -8.269 6.048 1.00 70.31 H new ATOM 0 HD1 PHE A 82 7.107 -8.812 9.571 1.00 50.15 H new ATOM 0 HD2 PHE A 82 3.853 -8.004 6.940 1.00 52.03 H new ATOM 0 HE1 PHE A 82 5.657 -8.361 11.502 1.00 0.52 H new ATOM 0 HE2 PHE A 82 2.402 -7.555 8.869 1.00 12.50 H new ATOM 0 HZ PHE A 82 3.299 -7.737 11.156 1.00 34.43 H new ATOM 1255 N SER A 83 5.033 -10.984 5.171 1.00 5.31 N ATOM 1256 CA SER A 83 3.847 -11.710 4.721 1.00 13.21 C ATOM 1257 C SER A 83 2.567 -10.998 5.165 1.00 51.43 C ATOM 1258 O SER A 83 2.029 -11.264 6.244 1.00 53.45 O ATOM 1259 CB SER A 83 3.870 -13.166 5.214 1.00 34.24 C ATOM 1260 OG SER A 83 2.830 -13.933 4.630 1.00 4.42 O ATOM 0 H SER A 83 5.526 -10.506 4.417 1.00 5.31 H new ATOM 0 HA SER A 83 3.859 -11.728 3.631 1.00 13.21 H new ATOM 0 HB2 SER A 83 4.833 -13.616 4.974 1.00 34.24 H new ATOM 0 HB3 SER A 83 3.771 -13.185 6.299 1.00 34.24 H new ATOM 0 HG SER A 83 2.875 -14.853 4.964 1.00 4.42 H new ATOM 1266 N PRO A 84 2.089 -10.043 4.350 1.00 40.12 N ATOM 1267 CA PRO A 84 0.843 -9.338 4.590 1.00 61.31 C ATOM 1268 C PRO A 84 -0.323 -9.959 3.823 1.00 53.52 C ATOM 1269 O PRO A 84 -0.211 -11.063 3.292 1.00 54.44 O ATOM 1270 CB PRO A 84 1.165 -7.955 4.044 1.00 33.13 C ATOM 1271 CG PRO A 84 2.072 -8.214 2.881 1.00 34.05 C ATOM 1272 CD PRO A 84 2.741 -9.550 3.126 1.00 0.45 C ATOM 0 HA PRO A 84 0.531 -9.355 5.634 1.00 61.31 H new ATOM 0 HB2 PRO A 84 0.261 -7.430 3.734 1.00 33.13 H new ATOM 0 HB3 PRO A 84 1.651 -7.334 4.796 1.00 33.13 H new ATOM 0 HG2 PRO A 84 1.507 -8.231 1.949 1.00 34.05 H new ATOM 0 HG3 PRO A 84 2.815 -7.422 2.789 1.00 34.05 H new ATOM 0 HD2 PRO A 84 2.592 -10.233 2.289 1.00 0.45 H new ATOM 0 HD3 PRO A 84 3.817 -9.441 3.261 1.00 0.45 H new ATOM 1280 N PHE A 85 -1.436 -9.240 3.758 1.00 25.14 N ATOM 1281 CA PHE A 85 -2.603 -9.708 3.027 1.00 13.43 C ATOM 1282 C PHE A 85 -3.209 -8.568 2.222 1.00 41.34 C ATOM 1283 O PHE A 85 -3.009 -7.395 2.543 1.00 72.13 O ATOM 1284 CB PHE A 85 -3.645 -10.287 3.988 1.00 61.54 C ATOM 1285 CG PHE A 85 -3.172 -11.501 4.736 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -3.112 -12.735 4.108 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -2.789 -11.411 6.065 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -2.675 -13.853 4.791 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -2.354 -12.526 6.752 1.00 34.11 C ATOM 1290 CZ PHE A 85 -2.297 -13.749 6.115 1.00 11.55 C ATOM 0 H PHE A 85 -1.554 -8.330 4.203 1.00 25.14 H new ATOM 0 HA PHE A 85 -2.289 -10.496 2.343 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -3.931 -9.518 4.706 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -4.541 -10.546 3.424 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -3.410 -12.823 3.074 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -2.832 -10.457 6.569 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -2.629 -14.808 4.290 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -2.058 -12.442 7.787 1.00 34.11 H new ATOM 0 HZ PHE A 85 -1.957 -14.623 6.651 1.00 11.55 H new ATOM 1300 N ASP A 86 -3.952 -8.917 1.182 1.00 3.42 N ATOM 1301 CA ASP A 86 -4.564 -7.930 0.296 1.00 2.42 C ATOM 1302 C ASP A 86 -5.849 -7.375 0.901 1.00 25.34 C ATOM 1303 O ASP A 86 -6.550 -6.581 0.275 1.00 61.15 O ATOM 1304 CB ASP A 86 -4.860 -8.553 -1.072 1.00 3.13 C ATOM 1305 CG ASP A 86 -6.011 -9.544 -1.037 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -5.932 -10.536 -0.281 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -7.005 -9.336 -1.763 1.00 54.14 O ATOM 0 H ASP A 86 -4.149 -9.885 0.927 1.00 3.42 H new ATOM 0 HA ASP A 86 -3.859 -7.109 0.170 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -5.092 -7.760 -1.783 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -3.965 -9.057 -1.437 1.00 3.13 H new ATOM 1312 N GLY A 87 -6.152 -7.793 2.121 1.00 10.11 N ATOM 1313 CA GLY A 87 -7.341 -7.310 2.791 1.00 45.22 C ATOM 1314 C GLY A 87 -7.074 -6.064 3.609 1.00 1.13 C ATOM 1315 O GLY A 87 -7.999 -5.458 4.147 1.00 41.14 O ATOM 0 H GLY A 87 -5.596 -8.458 2.659 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -8.112 -7.097 2.050 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -7.732 -8.092 3.442 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.810 -5.676 3.698 1.00 31.33 N ATOM 1320 CA PHE A 88 -5.430 -4.500 4.465 1.00 11.53 C ATOM 1321 C PHE A 88 -5.518 -3.243 3.606 1.00 54.51 C ATOM 1322 O PHE A 88 -5.396 -3.301 2.380 1.00 73.14 O ATOM 1323 CB PHE A 88 -4.016 -4.655 5.025 1.00 10.12 C ATOM 1324 CG PHE A 88 -3.873 -5.789 6.001 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -4.641 -5.826 7.155 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -2.969 -6.814 5.770 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -4.510 -6.865 8.056 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -2.834 -7.854 6.670 1.00 42.11 C ATOM 1329 CZ PHE A 88 -3.606 -7.878 7.814 1.00 40.42 C ATOM 0 H PHE A 88 -5.031 -6.158 3.249 1.00 31.33 H new ATOM 0 HA PHE A 88 -6.127 -4.402 5.298 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -3.322 -4.809 4.198 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -3.725 -3.726 5.516 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -5.349 -5.034 7.351 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -2.363 -6.800 4.876 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -5.116 -6.884 8.950 1.00 1.21 H new ATOM 0 HE2 PHE A 88 -2.126 -8.647 6.479 1.00 42.11 H new ATOM 0 HZ PHE A 88 -3.502 -8.689 8.519 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.730 -2.108 4.258 1.00 4.44 N ATOM 1340 CA ARG A 89 -5.920 -0.846 3.557 1.00 44.43 C ATOM 1341 C ARG A 89 -4.894 0.184 4.005 1.00 21.14 C ATOM 1342 O ARG A 89 -4.671 0.373 5.201 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.335 -0.324 3.804 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.409 -1.289 3.341 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.795 -0.864 3.793 1.00 22.34 C ATOM 1346 NE ARG A 89 -10.795 -1.860 3.426 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.520 -2.548 4.304 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -11.399 -2.316 5.604 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.367 -3.478 3.884 1.00 73.23 N ATOM 0 H ARG A 89 -5.775 -2.036 5.274 1.00 4.44 H new ATOM 0 HA ARG A 89 -5.782 -1.019 2.490 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -7.464 -0.128 4.868 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.461 0.627 3.287 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.389 -1.358 2.253 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.192 -2.285 3.728 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.800 -0.720 4.873 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -10.050 0.095 3.342 1.00 22.34 H new ATOM 0 HE ARG A 89 -10.948 -2.040 2.434 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -10.747 -1.606 5.937 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -11.958 -2.848 6.271 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.463 -3.667 2.886 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -12.922 -4.004 4.559 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.276 0.848 3.037 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.294 1.883 3.319 1.00 60.42 C ATOM 1365 C LEU A 90 -3.969 3.246 3.306 1.00 63.10 C ATOM 1366 O LEU A 90 -4.178 3.835 2.248 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.159 1.848 2.289 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.331 0.563 2.275 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.294 0.614 1.162 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.653 0.355 3.621 1.00 71.34 C ATOM 0 H LEU A 90 -4.440 0.686 2.043 1.00 25.41 H new ATOM 0 HA LEU A 90 -2.867 1.701 4.305 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -2.586 1.997 1.297 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.492 2.689 2.479 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.999 -0.278 2.089 1.00 1.33 H new ATOM 0 HD11 LEU A 90 0.288 -0.308 1.164 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -0.797 0.723 0.201 1.00 62.23 H new ATOM 0 HD13 LEU A 90 0.370 1.463 1.322 1.00 62.23 H new ATOM 0 HD21 LEU A 90 -0.067 -0.564 3.595 1.00 71.34 H new ATOM 0 HD22 LEU A 90 0.004 1.199 3.831 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -1.410 0.281 4.402 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.339 3.722 4.483 1.00 42.35 N ATOM 1383 CA HIS A 91 -5.048 4.985 4.609 1.00 54.41 C ATOM 1384 C HIS A 91 -4.061 6.136 4.787 1.00 51.41 C ATOM 1385 O HIS A 91 -3.583 6.393 5.892 1.00 44.02 O ATOM 1386 CB HIS A 91 -6.014 4.916 5.795 1.00 23.42 C ATOM 1387 CG HIS A 91 -6.865 6.136 5.977 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -6.526 7.168 6.826 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -8.064 6.464 5.448 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -7.484 8.076 6.813 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.427 7.673 5.984 1.00 31.53 N ATOM 0 H HIS A 91 -4.159 3.250 5.369 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.618 5.166 3.698 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.665 4.051 5.667 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.439 4.751 6.706 1.00 23.42 H new ATOM 0 HD1 HIS A 91 -5.670 7.221 7.377 1.00 1.22 H new ATOM 0 HD2 HIS A 91 -8.631 5.883 4.736 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -7.494 8.993 7.384 1.00 43.11 H new ATOM 1400 N ILE A 92 -3.754 6.808 3.689 1.00 43.23 N ATOM 1401 CA ILE A 92 -2.844 7.947 3.704 1.00 74.31 C ATOM 1402 C ILE A 92 -3.452 9.096 4.501 1.00 2.34 C ATOM 1403 O ILE A 92 -4.567 9.536 4.220 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.537 8.441 2.272 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -1.988 7.294 1.414 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.551 9.602 2.310 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -1.752 7.676 -0.034 1.00 74.41 C ATOM 0 H ILE A 92 -4.125 6.583 2.766 1.00 43.23 H new ATOM 0 HA ILE A 92 -1.915 7.618 4.171 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.465 8.792 1.821 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.050 6.945 1.846 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.686 6.458 1.451 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.345 9.938 1.294 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -1.979 10.424 2.884 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.623 9.276 2.779 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.364 6.815 -0.579 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.692 7.996 -0.484 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -1.030 8.491 -0.082 1.00 74.41 H new ATOM 1419 N ILE A 93 -2.728 9.562 5.506 1.00 30.25 N ATOM 1420 CA ILE A 93 -3.198 10.658 6.336 1.00 61.44 C ATOM 1421 C ILE A 93 -2.969 12.000 5.649 1.00 43.43 C ATOM 1422 O ILE A 93 -1.831 12.385 5.369 1.00 4.40 O ATOM 1423 CB ILE A 93 -2.504 10.658 7.718 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -2.829 9.373 8.478 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -2.923 11.874 8.531 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -4.308 9.184 8.749 1.00 13.41 C ATOM 0 H ILE A 93 -1.812 9.197 5.766 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.268 10.512 6.485 1.00 61.44 H new ATOM 0 HB ILE A 93 -1.427 10.706 7.559 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -2.461 8.521 7.907 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -2.292 9.377 9.427 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -2.423 11.854 9.499 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -2.644 12.782 7.997 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.003 11.858 8.680 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -4.462 8.251 9.292 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -4.678 10.017 9.347 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -4.849 9.148 7.804 1.00 13.41 H new ATOM 1438 N ASP A 94 -4.059 12.693 5.360 1.00 54.11 N ATOM 1439 CA ASP A 94 -3.993 14.024 4.775 1.00 23.43 C ATOM 1440 C ASP A 94 -3.925 15.068 5.878 1.00 11.31 C ATOM 1441 O ASP A 94 -4.893 15.259 6.618 1.00 65.52 O ATOM 1442 CB ASP A 94 -5.214 14.296 3.888 1.00 74.20 C ATOM 1443 CG ASP A 94 -5.188 13.536 2.576 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -4.491 13.983 1.642 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -5.882 12.498 2.458 1.00 74.32 O ATOM 0 H ASP A 94 -5.007 12.353 5.522 1.00 54.11 H new ATOM 0 HA ASP A 94 -3.097 14.081 4.157 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -6.118 14.029 4.436 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -5.271 15.364 3.679 1.00 74.20 H new ATOM 1450 N LEU A 95 -2.786 15.721 6.009 1.00 15.42 N ATOM 1451 CA LEU A 95 -2.624 16.767 7.008 1.00 24.34 C ATOM 1452 C LEU A 95 -2.279 18.090 6.344 1.00 35.53 C ATOM 1453 O LEU A 95 -3.148 18.937 6.131 1.00 25.43 O ATOM 1454 CB LEU A 95 -1.540 16.390 8.022 1.00 72.00 C ATOM 1455 CG LEU A 95 -1.871 15.196 8.920 1.00 64.20 C ATOM 1456 CD1 LEU A 95 -0.670 14.823 9.777 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -3.079 15.509 9.793 1.00 15.32 C ATOM 0 H LEU A 95 -1.959 15.548 5.438 1.00 15.42 H new ATOM 0 HA LEU A 95 -3.570 16.876 7.538 1.00 24.34 H new ATOM 0 HB2 LEU A 95 -0.619 16.172 7.481 1.00 72.00 H new ATOM 0 HB3 LEU A 95 -1.341 17.255 8.655 1.00 72.00 H new ATOM 0 HG LEU A 95 -2.115 14.343 8.287 1.00 64.20 H new ATOM 0 HD11 LEU A 95 -0.924 13.972 10.409 1.00 4.42 H new ATOM 0 HD12 LEU A 95 0.169 14.559 9.133 1.00 4.42 H new ATOM 0 HD13 LEU A 95 -0.393 15.671 10.404 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -3.303 14.650 10.426 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -2.861 16.375 10.419 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -3.939 15.726 9.160 1.00 15.32 H new ATOM 1469 N ASP A 96 -1.016 18.251 5.990 1.00 53.53 N ATOM 1470 CA ASP A 96 -0.538 19.484 5.384 1.00 72.41 C ATOM 1471 C ASP A 96 0.711 19.221 4.549 1.00 64.25 C ATOM 1472 O ASP A 96 1.716 18.712 5.049 1.00 64.22 O ATOM 1473 CB ASP A 96 -0.265 20.555 6.457 1.00 32.23 C ATOM 1474 CG ASP A 96 0.777 20.147 7.486 1.00 32.24 C ATOM 1475 OD1 ASP A 96 0.488 19.267 8.327 1.00 24.13 O ATOM 1476 OD2 ASP A 96 1.881 20.734 7.489 1.00 30.34 O ATOM 0 H ASP A 96 -0.297 17.538 6.113 1.00 53.53 H new ATOM 0 HA ASP A 96 -1.318 19.863 4.723 1.00 72.41 H new ATOM 0 HB2 ASP A 96 0.063 21.471 5.966 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -1.198 20.786 6.971 1.00 32.23 H new ATOM 1481 N PRO A 97 0.640 19.522 3.248 1.00 72.52 N ATOM 1482 CA PRO A 97 1.755 19.374 2.331 1.00 65.44 C ATOM 1483 C PRO A 97 2.577 20.652 2.236 1.00 62.20 C ATOM 1484 O PRO A 97 3.479 20.845 3.077 1.00 37.47 O ATOM 1485 CB PRO A 97 1.063 19.069 0.994 1.00 10.14 C ATOM 1486 CG PRO A 97 -0.391 19.417 1.176 1.00 13.31 C ATOM 1487 CD PRO A 97 -0.542 20.019 2.548 1.00 73.52 C ATOM 1488 OXT PRO A 97 2.301 21.472 1.340 1.00 37.47 O ATOM 0 HA PRO A 97 2.460 18.603 2.643 1.00 65.44 H new ATOM 0 HB2 PRO A 97 1.504 19.654 0.187 1.00 10.14 H new ATOM 0 HB3 PRO A 97 1.180 18.019 0.727 1.00 10.14 H new ATOM 0 HG2 PRO A 97 -0.716 20.121 0.410 1.00 13.31 H new ATOM 0 HG3 PRO A 97 -1.014 18.528 1.076 1.00 13.31 H new ATOM 0 HD2 PRO A 97 -0.563 21.108 2.512 1.00 73.52 H new ATOM 0 HD3 PRO A 97 -1.464 19.698 3.032 1.00 73.52 H new TER 1496 PRO A 97