USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 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 59 HIS : no HE2:sc= 0.184 K(o=0.66,f=-0.51) USER MOD Set 1.2: A 61 TYR OH : rot -50:sc= 0.473 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0605 (180deg=-0.418) USER MOD Single : A 1 MET N :NH3+ 178:sc=-0.000398 (180deg=-0.0081) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.14) USER MOD Single : A 11 MET CE :methyl -123:sc= -0.824 (180deg=-2.04) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -128:sc= 0.194 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -124:sc= -0.511 USER MOD Single : A 41 SER OG : rot 180:sc= -0.216 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -120:sc= -2.21! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.101 X(o=0.1,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.85) USER MOD Single : A 60 THR OG1 : rot 170:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -151:sc= 0.732 USER MOD Single : A 76 SER OG : rot 180:sc= -0.622 USER MOD Single : A 77 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 77:sc= -0.083 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.014) USER MOD Single : A 99 GLN : amide:sc= -0.592 K(o=-0.59,f=-7.6!) USER MOD Single : A 103 CYS SG : rot 120:sc= -0.348 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.636 -2.577 -47.520 1.00 0.00 N ATOM 2 CA MET A 1 -1.202 -2.316 -47.258 1.00 0.00 C ATOM 3 C MET A 1 -1.052 -1.135 -46.281 1.00 0.00 C ATOM 4 O MET A 1 -1.605 -0.055 -46.507 1.00 0.00 O ATOM 5 CB MET A 1 -0.435 -2.066 -48.593 1.00 0.00 C ATOM 6 CG MET A 1 -0.970 -0.916 -49.458 1.00 0.00 C ATOM 7 SD MET A 1 -0.049 -0.707 -50.995 1.00 0.00 S ATOM 8 CE MET A 1 -0.350 -2.252 -51.847 1.00 0.00 C ATOM 0 H1 MET A 1 -2.728 -3.353 -48.206 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.108 -2.842 -46.632 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.080 -1.719 -47.906 1.00 0.00 H new ATOM 0 HA MET A 1 -0.758 -3.195 -46.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.610 -1.865 -48.359 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.459 -2.982 -49.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.019 -1.101 -49.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.929 0.011 -48.887 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.086 -2.145 -52.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.257 -3.039 -51.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.404 -2.515 -51.762 1.00 0.00 H new ATOM 20 N GLY A 2 -0.337 -1.368 -45.175 1.00 0.00 N ATOM 21 CA GLY A 2 -0.122 -0.355 -44.146 1.00 0.00 C ATOM 22 C GLY A 2 0.454 -0.970 -42.882 1.00 0.00 C ATOM 23 O GLY A 2 1.199 -1.955 -42.958 1.00 0.00 O ATOM 0 H GLY A 2 0.107 -2.264 -44.972 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.556 0.411 -44.522 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.066 0.139 -43.916 1.00 0.00 H new ATOM 27 N HIS A 3 0.108 -0.389 -41.724 1.00 0.00 N ATOM 28 CA HIS A 3 0.555 -0.858 -40.403 1.00 0.00 C ATOM 29 C HIS A 3 -0.390 -0.313 -39.306 1.00 0.00 C ATOM 30 O HIS A 3 -0.220 0.804 -38.807 1.00 0.00 O ATOM 31 CB HIS A 3 2.058 -0.492 -40.145 1.00 0.00 C ATOM 32 CG HIS A 3 2.426 0.947 -40.422 1.00 0.00 C ATOM 33 ND1 HIS A 3 2.616 1.440 -41.696 1.00 0.00 N ATOM 34 CD2 HIS A 3 2.621 1.989 -39.588 1.00 0.00 C ATOM 35 CE1 HIS A 3 2.922 2.719 -41.626 1.00 0.00 C ATOM 36 NE2 HIS A 3 2.927 3.076 -40.360 1.00 0.00 N ATOM 0 H HIS A 3 -0.498 0.430 -41.677 1.00 0.00 H new ATOM 0 HA HIS A 3 0.502 -1.946 -40.374 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.297 -0.718 -39.106 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.683 -1.136 -40.763 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.549 1.969 -38.511 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.133 3.365 -42.465 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.127 4.013 -40.010 1.00 0.00 H new ATOM 45 N HIS A 4 -1.422 -1.112 -38.973 1.00 0.00 N ATOM 46 CA HIS A 4 -2.420 -0.765 -37.936 1.00 0.00 C ATOM 47 C HIS A 4 -1.960 -1.296 -36.568 1.00 0.00 C ATOM 48 O HIS A 4 -1.860 -2.510 -36.370 1.00 0.00 O ATOM 49 CB HIS A 4 -3.806 -1.353 -38.304 1.00 0.00 C ATOM 50 CG HIS A 4 -4.382 -0.794 -39.577 1.00 0.00 C ATOM 51 ND1 HIS A 4 -4.334 -1.458 -40.784 1.00 0.00 N ATOM 52 CD2 HIS A 4 -5.014 0.376 -39.823 1.00 0.00 C ATOM 53 CE1 HIS A 4 -4.901 -0.717 -41.713 1.00 0.00 C ATOM 54 NE2 HIS A 4 -5.324 0.398 -41.156 1.00 0.00 N ATOM 0 H HIS A 4 -1.590 -2.017 -39.414 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.509 0.320 -37.881 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.718 -2.435 -38.400 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.501 -1.161 -37.486 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.233 1.149 -39.102 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.002 -0.980 -42.756 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -5.805 1.156 -41.640 1.00 0.00 H new ATOM 63 N HIS A 5 -1.660 -0.368 -35.644 1.00 0.00 N ATOM 64 CA HIS A 5 -1.185 -0.686 -34.280 1.00 0.00 C ATOM 65 C HIS A 5 -2.299 -0.416 -33.251 1.00 0.00 C ATOM 66 O HIS A 5 -2.951 0.637 -33.301 1.00 0.00 O ATOM 67 CB HIS A 5 0.073 0.159 -33.944 1.00 0.00 C ATOM 68 CG HIS A 5 1.270 -0.173 -34.793 1.00 0.00 C ATOM 69 ND1 HIS A 5 2.215 -1.103 -34.423 1.00 0.00 N ATOM 70 CD2 HIS A 5 1.659 0.287 -36.008 1.00 0.00 C ATOM 71 CE1 HIS A 5 3.130 -1.198 -35.361 1.00 0.00 C ATOM 72 NE2 HIS A 5 2.818 -0.367 -36.336 1.00 0.00 N ATOM 0 H HIS A 5 -1.740 0.633 -35.821 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.921 -1.743 -34.237 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.166 1.215 -34.067 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.330 0.010 -32.895 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.151 1.030 -36.605 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.993 -1.847 -35.337 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.352 -0.233 -37.195 1.00 0.00 H new ATOM 81 N HIS A 6 -2.500 -1.373 -32.327 1.00 0.00 N ATOM 82 CA HIS A 6 -3.505 -1.274 -31.256 1.00 0.00 C ATOM 83 C HIS A 6 -3.063 -2.129 -30.053 1.00 0.00 C ATOM 84 O HIS A 6 -3.361 -3.329 -29.978 1.00 0.00 O ATOM 85 CB HIS A 6 -4.911 -1.694 -31.774 1.00 0.00 C ATOM 86 CG HIS A 6 -6.010 -1.611 -30.741 1.00 0.00 C ATOM 87 ND1 HIS A 6 -6.565 -0.419 -30.324 1.00 0.00 N ATOM 88 CD2 HIS A 6 -6.638 -2.576 -30.032 1.00 0.00 C ATOM 89 CE1 HIS A 6 -7.481 -0.656 -29.411 1.00 0.00 C ATOM 90 NE2 HIS A 6 -7.545 -1.954 -29.216 1.00 0.00 N ATOM 0 H HIS A 6 -1.966 -2.242 -32.303 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.582 -0.236 -30.931 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.177 -1.060 -32.620 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.856 -2.717 -32.146 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.458 -3.639 -30.097 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.079 0.089 -28.907 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.171 -2.423 -28.561 1.00 0.00 H new ATOM 99 N HIS A 7 -2.286 -1.508 -29.156 1.00 0.00 N ATOM 100 CA HIS A 7 -1.872 -2.096 -27.863 1.00 0.00 C ATOM 101 C HIS A 7 -1.837 -1.003 -26.781 1.00 0.00 C ATOM 102 O HIS A 7 -1.637 0.177 -27.085 1.00 0.00 O ATOM 103 CB HIS A 7 -0.468 -2.762 -27.947 1.00 0.00 C ATOM 104 CG HIS A 7 -0.397 -4.038 -28.750 1.00 0.00 C ATOM 105 ND1 HIS A 7 0.466 -4.218 -29.806 1.00 0.00 N ATOM 106 CD2 HIS A 7 -1.063 -5.211 -28.617 1.00 0.00 C ATOM 107 CE1 HIS A 7 0.325 -5.434 -30.288 1.00 0.00 C ATOM 108 NE2 HIS A 7 -0.593 -6.058 -29.583 1.00 0.00 N ATOM 0 H HIS A 7 -1.919 -0.568 -29.305 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.602 -2.865 -27.609 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.230 -2.044 -28.378 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.124 -2.972 -26.934 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.824 -5.435 -27.884 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.871 -5.850 -31.122 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.904 -7.018 -29.732 1.00 0.00 H new ATOM 117 N HIS A 8 -2.023 -1.417 -25.521 1.00 0.00 N ATOM 118 CA HIS A 8 -1.878 -0.557 -24.330 1.00 0.00 C ATOM 119 C HIS A 8 -1.017 -1.283 -23.287 1.00 0.00 C ATOM 120 O HIS A 8 -0.904 -2.517 -23.321 1.00 0.00 O ATOM 121 CB HIS A 8 -3.257 -0.198 -23.707 1.00 0.00 C ATOM 122 CG HIS A 8 -4.112 0.727 -24.533 1.00 0.00 C ATOM 123 ND1 HIS A 8 -5.278 0.334 -25.141 1.00 0.00 N ATOM 124 CD2 HIS A 8 -3.980 2.047 -24.810 1.00 0.00 C ATOM 125 CE1 HIS A 8 -5.829 1.358 -25.753 1.00 0.00 C ATOM 126 NE2 HIS A 8 -5.063 2.413 -25.569 1.00 0.00 N ATOM 0 H HIS A 8 -2.283 -2.376 -25.292 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.400 0.373 -24.638 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.811 -1.121 -23.533 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.089 0.261 -22.733 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.173 2.691 -24.493 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.753 1.338 -26.312 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.245 3.349 -25.931 1.00 0.00 H new ATOM 135 N SER A 9 -0.429 -0.505 -22.358 1.00 0.00 N ATOM 136 CA SER A 9 0.363 -1.040 -21.237 1.00 0.00 C ATOM 137 C SER A 9 -0.521 -1.882 -20.289 1.00 0.00 C ATOM 138 O SER A 9 -1.744 -1.682 -20.216 1.00 0.00 O ATOM 139 CB SER A 9 1.035 0.119 -20.461 1.00 0.00 C ATOM 140 OG SER A 9 1.824 -0.363 -19.384 1.00 0.00 O ATOM 0 H SER A 9 -0.491 0.513 -22.365 1.00 0.00 H new ATOM 0 HA SER A 9 1.138 -1.690 -21.643 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.660 0.698 -21.140 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.269 0.794 -20.079 1.00 0.00 H new ATOM 0 HG SER A 9 2.236 0.393 -18.916 1.00 0.00 H new ATOM 146 N HIS A 10 0.125 -2.807 -19.558 1.00 0.00 N ATOM 147 CA HIS A 10 -0.549 -3.755 -18.644 1.00 0.00 C ATOM 148 C HIS A 10 0.222 -3.851 -17.307 1.00 0.00 C ATOM 149 O HIS A 10 1.250 -4.536 -17.199 1.00 0.00 O ATOM 150 CB HIS A 10 -0.724 -5.151 -19.323 1.00 0.00 C ATOM 151 CG HIS A 10 0.560 -5.803 -19.793 1.00 0.00 C ATOM 152 ND1 HIS A 10 1.110 -6.910 -19.184 1.00 0.00 N ATOM 153 CD2 HIS A 10 1.405 -5.475 -20.797 1.00 0.00 C ATOM 154 CE1 HIS A 10 2.238 -7.226 -19.784 1.00 0.00 C ATOM 155 NE2 HIS A 10 2.443 -6.371 -20.765 1.00 0.00 N ATOM 0 H HIS A 10 1.138 -2.921 -19.583 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.548 -3.381 -18.421 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.217 -5.821 -18.618 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.391 -5.041 -20.178 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.285 -4.659 -21.494 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.886 -8.048 -19.517 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.243 -6.375 -21.398 1.00 0.00 H new ATOM 164 N MET A 11 -0.258 -3.094 -16.306 1.00 0.00 N ATOM 165 CA MET A 11 0.232 -3.152 -14.916 1.00 0.00 C ATOM 166 C MET A 11 -0.983 -3.337 -13.988 1.00 0.00 C ATOM 167 O MET A 11 -1.924 -2.529 -14.040 1.00 0.00 O ATOM 168 CB MET A 11 1.036 -1.878 -14.542 1.00 0.00 C ATOM 169 CG MET A 11 2.260 -1.594 -15.428 1.00 0.00 C ATOM 170 SD MET A 11 3.294 -0.242 -14.800 1.00 0.00 S ATOM 171 CE MET A 11 2.181 1.161 -14.863 1.00 0.00 C ATOM 0 H MET A 11 -1.007 -2.415 -16.440 1.00 0.00 H new ATOM 0 HA MET A 11 0.917 -3.992 -14.804 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.367 -1.019 -14.588 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.369 -1.968 -13.508 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.863 -2.499 -15.505 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.923 -1.348 -16.435 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.621 1.948 -15.476 1.00 0.00 H new ATOM 0 HE2 MET A 11 1.230 0.852 -15.298 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.013 1.538 -13.854 1.00 0.00 H new ATOM 181 N SER A 12 -0.950 -4.408 -13.164 1.00 0.00 N ATOM 182 CA SER A 12 -2.111 -4.876 -12.372 1.00 0.00 C ATOM 183 C SER A 12 -2.592 -3.803 -11.373 1.00 0.00 C ATOM 184 O SER A 12 -3.585 -3.117 -11.631 1.00 0.00 O ATOM 185 CB SER A 12 -1.763 -6.206 -11.655 1.00 0.00 C ATOM 186 OG SER A 12 -1.362 -7.201 -12.585 1.00 0.00 O ATOM 0 H SER A 12 -0.113 -4.975 -13.029 1.00 0.00 H new ATOM 0 HA SER A 12 -2.940 -5.059 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.964 -6.035 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.629 -6.557 -11.094 1.00 0.00 H new ATOM 0 HG SER A 12 -1.147 -8.029 -12.106 1.00 0.00 H new ATOM 192 N TRP A 13 -1.892 -3.645 -10.244 1.00 0.00 N ATOM 193 CA TRP A 13 -2.212 -2.617 -9.234 1.00 0.00 C ATOM 194 C TRP A 13 -1.089 -1.574 -9.100 1.00 0.00 C ATOM 195 O TRP A 13 -1.103 -0.774 -8.176 1.00 0.00 O ATOM 196 CB TRP A 13 -2.506 -3.314 -7.864 1.00 0.00 C ATOM 197 CG TRP A 13 -1.613 -4.507 -7.549 1.00 0.00 C ATOM 198 CD1 TRP A 13 -1.978 -5.827 -7.593 1.00 0.00 C ATOM 199 CD2 TRP A 13 -0.217 -4.504 -7.170 1.00 0.00 C ATOM 200 NE1 TRP A 13 -0.922 -6.628 -7.253 1.00 0.00 N ATOM 201 CE2 TRP A 13 0.169 -5.848 -6.998 1.00 0.00 C ATOM 202 CE3 TRP A 13 0.741 -3.506 -6.957 1.00 0.00 C ATOM 203 CZ2 TRP A 13 1.464 -6.216 -6.637 1.00 0.00 C ATOM 204 CZ3 TRP A 13 2.021 -3.872 -6.591 1.00 0.00 C ATOM 205 CH2 TRP A 13 2.373 -5.216 -6.438 1.00 0.00 C ATOM 0 H TRP A 13 -1.088 -4.223 -10.000 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.100 -2.075 -9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.399 -2.578 -7.067 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.545 -3.644 -7.856 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.962 -6.185 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.946 -7.646 -7.199 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.483 -2.464 -7.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.739 -7.254 -6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.763 -3.106 -6.420 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.385 -5.469 -6.157 1.00 0.00 H new ATOM 216 N TYR A 14 -0.131 -1.551 -10.033 1.00 0.00 N ATOM 217 CA TYR A 14 1.020 -0.627 -9.950 1.00 0.00 C ATOM 218 C TYR A 14 0.840 0.446 -11.022 1.00 0.00 C ATOM 219 O TYR A 14 0.762 0.124 -12.199 1.00 0.00 O ATOM 220 CB TYR A 14 2.368 -1.387 -10.134 1.00 0.00 C ATOM 221 CG TYR A 14 3.622 -0.544 -9.836 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.106 -0.428 -8.534 1.00 0.00 C ATOM 223 CD2 TYR A 14 4.315 0.134 -10.845 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.224 0.330 -8.245 1.00 0.00 C ATOM 225 CE2 TYR A 14 5.433 0.890 -10.554 1.00 0.00 C ATOM 226 CZ TYR A 14 5.881 0.986 -9.255 1.00 0.00 C ATOM 227 OH TYR A 14 6.995 1.743 -8.970 1.00 0.00 O ATOM 0 H TYR A 14 -0.124 -2.157 -10.854 1.00 0.00 H new ATOM 0 HA TYR A 14 1.055 -0.165 -8.963 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.370 -2.261 -9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.427 -1.753 -11.159 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.595 -0.942 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.970 0.065 -11.866 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.579 0.406 -7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.956 1.406 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 14 6.886 2.641 -9.347 1.00 0.00 H new ATOM 237 N HIS A 15 0.688 1.714 -10.611 1.00 0.00 N ATOM 238 CA HIS A 15 0.654 2.859 -11.540 1.00 0.00 C ATOM 239 C HIS A 15 1.862 3.750 -11.266 1.00 0.00 C ATOM 240 O HIS A 15 1.993 4.295 -10.169 1.00 0.00 O ATOM 241 CB HIS A 15 -0.665 3.659 -11.384 1.00 0.00 C ATOM 242 CG HIS A 15 -1.888 2.896 -11.808 1.00 0.00 C ATOM 243 ND1 HIS A 15 -2.455 3.031 -13.057 1.00 0.00 N ATOM 244 CD2 HIS A 15 -2.635 1.971 -11.156 1.00 0.00 C ATOM 245 CE1 HIS A 15 -3.492 2.227 -13.155 1.00 0.00 C ATOM 246 NE2 HIS A 15 -3.622 1.573 -12.015 1.00 0.00 N ATOM 0 H HIS A 15 0.585 1.976 -9.631 1.00 0.00 H new ATOM 0 HA HIS A 15 0.695 2.494 -12.566 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.777 3.958 -10.342 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.596 4.574 -11.972 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.480 1.615 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.129 2.120 -14.021 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.343 0.882 -11.808 1.00 0.00 H new ATOM 255 N ARG A 16 2.743 3.877 -12.270 1.00 0.00 N ATOM 256 CA ARG A 16 4.007 4.608 -12.146 1.00 0.00 C ATOM 257 C ARG A 16 3.770 6.104 -11.886 1.00 0.00 C ATOM 258 O ARG A 16 4.185 6.630 -10.843 1.00 0.00 O ATOM 259 CB ARG A 16 4.894 4.367 -13.396 1.00 0.00 C ATOM 260 CG ARG A 16 5.388 2.910 -13.502 1.00 0.00 C ATOM 261 CD ARG A 16 6.351 2.647 -14.669 1.00 0.00 C ATOM 262 NE ARG A 16 6.900 1.273 -14.606 1.00 0.00 N ATOM 263 CZ ARG A 16 7.199 0.490 -15.657 1.00 0.00 C ATOM 264 NH1 ARG A 16 7.063 0.925 -16.906 1.00 0.00 N ATOM 265 NH2 ARG A 16 7.660 -0.732 -15.439 1.00 0.00 N ATOM 0 H ARG A 16 2.595 3.472 -13.194 1.00 0.00 H new ATOM 0 HA ARG A 16 4.543 4.224 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.328 4.621 -14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.754 5.036 -13.361 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.884 2.639 -12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.524 2.253 -13.605 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.829 2.791 -15.615 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.167 3.370 -14.642 1.00 0.00 H new ATOM 0 HE ARG A 16 7.067 0.884 -13.678 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.725 1.871 -17.083 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.296 0.313 -17.688 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.784 -1.067 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.891 -1.338 -16.226 1.00 0.00 H new ATOM 279 N ASP A 17 3.058 6.775 -12.801 1.00 0.00 N ATOM 280 CA ASP A 17 2.779 8.222 -12.704 1.00 0.00 C ATOM 281 C ASP A 17 1.279 8.411 -12.431 1.00 0.00 C ATOM 282 O ASP A 17 0.448 8.524 -13.342 1.00 0.00 O ATOM 283 CB ASP A 17 3.251 8.978 -13.990 1.00 0.00 C ATOM 284 CG ASP A 17 2.715 8.378 -15.301 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.122 7.248 -15.652 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.883 9.017 -15.981 1.00 0.00 O ATOM 0 H ASP A 17 2.658 6.335 -13.630 1.00 0.00 H new ATOM 0 HA ASP A 17 3.344 8.656 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.935 10.019 -13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.341 8.976 -14.021 1.00 0.00 H new ATOM 291 N LEU A 18 0.943 8.366 -11.143 1.00 0.00 N ATOM 292 CA LEU A 18 -0.419 8.566 -10.643 1.00 0.00 C ATOM 293 C LEU A 18 -0.350 9.541 -9.465 1.00 0.00 C ATOM 294 O LEU A 18 0.522 9.400 -8.601 1.00 0.00 O ATOM 295 CB LEU A 18 -1.041 7.206 -10.206 1.00 0.00 C ATOM 296 CG LEU A 18 -2.541 7.235 -9.755 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.467 7.731 -10.894 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.992 5.854 -9.223 1.00 0.00 C ATOM 0 H LEU A 18 1.621 8.186 -10.403 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.055 8.978 -11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.948 6.506 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.446 6.807 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.624 7.949 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.500 7.738 -10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.176 8.740 -11.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.378 7.064 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.037 5.905 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.880 5.107 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.377 5.575 -8.367 1.00 0.00 H new ATOM 310 N SER A 19 -1.247 10.541 -9.452 1.00 0.00 N ATOM 311 CA SER A 19 -1.354 11.515 -8.355 1.00 0.00 C ATOM 312 C SER A 19 -2.138 10.885 -7.200 1.00 0.00 C ATOM 313 O SER A 19 -2.941 9.977 -7.439 1.00 0.00 O ATOM 314 CB SER A 19 -2.064 12.779 -8.874 1.00 0.00 C ATOM 315 OG SER A 19 -1.379 13.300 -9.995 1.00 0.00 O ATOM 0 H SER A 19 -1.919 10.696 -10.203 1.00 0.00 H new ATOM 0 HA SER A 19 -0.364 11.793 -7.994 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.092 12.541 -9.146 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.108 13.530 -8.085 1.00 0.00 H new ATOM 0 HG SER A 19 -1.841 14.102 -10.317 1.00 0.00 H new ATOM 321 N ARG A 20 -1.917 11.368 -5.960 1.00 0.00 N ATOM 322 CA ARG A 20 -2.569 10.791 -4.771 1.00 0.00 C ATOM 323 C ARG A 20 -4.090 11.019 -4.818 1.00 0.00 C ATOM 324 O ARG A 20 -4.838 10.098 -4.545 1.00 0.00 O ATOM 325 CB ARG A 20 -1.987 11.345 -3.441 1.00 0.00 C ATOM 326 CG ARG A 20 -2.588 10.662 -2.182 1.00 0.00 C ATOM 327 CD ARG A 20 -2.151 11.292 -0.855 1.00 0.00 C ATOM 328 NE ARG A 20 -2.866 10.679 0.283 1.00 0.00 N ATOM 329 CZ ARG A 20 -2.762 11.061 1.560 1.00 0.00 C ATOM 330 NH1 ARG A 20 -1.954 12.051 1.910 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.478 10.447 2.485 1.00 0.00 N ATOM 0 H ARG A 20 -1.296 12.151 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.364 9.721 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.906 11.209 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.173 12.418 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.675 10.698 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.303 9.610 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.076 11.165 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.345 12.364 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.491 9.900 0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.401 12.533 1.201 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.885 12.331 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.105 9.687 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.403 10.733 3.461 1.00 0.00 H new ATOM 345 N ALA A 21 -4.525 12.239 -5.201 1.00 0.00 N ATOM 346 CA ALA A 21 -5.961 12.584 -5.358 1.00 0.00 C ATOM 347 C ALA A 21 -6.680 11.578 -6.279 1.00 0.00 C ATOM 348 O ALA A 21 -7.732 11.034 -5.935 1.00 0.00 O ATOM 349 CB ALA A 21 -6.090 14.013 -5.915 1.00 0.00 C ATOM 0 H ALA A 21 -3.895 13.013 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.439 12.534 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.144 14.265 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.622 14.716 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.595 14.072 -6.885 1.00 0.00 H new ATOM 355 N ALA A 22 -6.051 11.311 -7.430 1.00 0.00 N ATOM 356 CA ALA A 22 -6.541 10.335 -8.420 1.00 0.00 C ATOM 357 C ALA A 22 -6.427 8.875 -7.906 1.00 0.00 C ATOM 358 O ALA A 22 -7.179 8.018 -8.355 1.00 0.00 O ATOM 359 CB ALA A 22 -5.789 10.517 -9.751 1.00 0.00 C ATOM 0 H ALA A 22 -5.181 11.768 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.602 10.525 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.156 9.793 -10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.956 11.526 -10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.722 10.361 -9.590 1.00 0.00 H new ATOM 365 N ALA A 23 -5.495 8.615 -6.968 1.00 0.00 N ATOM 366 CA ALA A 23 -5.264 7.264 -6.394 1.00 0.00 C ATOM 367 C ALA A 23 -6.377 6.870 -5.396 1.00 0.00 C ATOM 368 O ALA A 23 -6.937 5.765 -5.487 1.00 0.00 O ATOM 369 CB ALA A 23 -3.885 7.205 -5.712 1.00 0.00 C ATOM 0 H ALA A 23 -4.879 9.331 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.288 6.545 -7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.727 6.210 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.107 7.419 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.843 7.944 -4.912 1.00 0.00 H new ATOM 375 N GLU A 24 -6.682 7.783 -4.443 1.00 0.00 N ATOM 376 CA GLU A 24 -7.764 7.585 -3.440 1.00 0.00 C ATOM 377 C GLU A 24 -9.124 7.476 -4.148 1.00 0.00 C ATOM 378 O GLU A 24 -9.981 6.693 -3.744 1.00 0.00 O ATOM 379 CB GLU A 24 -7.838 8.756 -2.398 1.00 0.00 C ATOM 380 CG GLU A 24 -6.503 9.428 -2.014 1.00 0.00 C ATOM 381 CD GLU A 24 -5.462 8.504 -1.360 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.741 7.776 -2.085 1.00 0.00 O ATOM 383 OE2 GLU A 24 -5.331 8.536 -0.113 1.00 0.00 O ATOM 0 H GLU A 24 -6.191 8.672 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.531 6.665 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.503 9.523 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.300 8.373 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.064 9.864 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.714 10.251 -1.331 1.00 0.00 H new ATOM 390 N GLU A 25 -9.284 8.303 -5.201 1.00 0.00 N ATOM 391 CA GLU A 25 -10.490 8.343 -6.047 1.00 0.00 C ATOM 392 C GLU A 25 -10.658 7.005 -6.787 1.00 0.00 C ATOM 393 O GLU A 25 -11.748 6.454 -6.832 1.00 0.00 O ATOM 394 CB GLU A 25 -10.397 9.507 -7.075 1.00 0.00 C ATOM 395 CG GLU A 25 -11.610 9.624 -8.029 1.00 0.00 C ATOM 396 CD GLU A 25 -11.441 10.670 -9.145 1.00 0.00 C ATOM 397 OE1 GLU A 25 -10.458 10.570 -9.908 1.00 0.00 O ATOM 398 OE2 GLU A 25 -12.305 11.570 -9.299 1.00 0.00 O ATOM 0 H GLU A 25 -8.568 8.970 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.356 8.511 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.287 10.446 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.494 9.376 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.794 8.651 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.495 9.874 -7.444 1.00 0.00 H new ATOM 405 N LEU A 26 -9.551 6.529 -7.385 1.00 0.00 N ATOM 406 CA LEU A 26 -9.485 5.223 -8.082 1.00 0.00 C ATOM 407 C LEU A 26 -9.942 4.080 -7.152 1.00 0.00 C ATOM 408 O LEU A 26 -10.643 3.171 -7.579 1.00 0.00 O ATOM 409 CB LEU A 26 -8.037 4.988 -8.629 1.00 0.00 C ATOM 410 CG LEU A 26 -7.809 3.896 -9.736 1.00 0.00 C ATOM 411 CD1 LEU A 26 -7.799 2.463 -9.180 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.827 4.052 -10.887 1.00 0.00 C ATOM 0 H LEU A 26 -8.669 7.040 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.170 5.234 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.676 5.938 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.402 4.734 -7.780 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.810 4.067 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.637 1.758 -9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.997 2.362 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.755 2.252 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.646 3.284 -11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.838 3.946 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.715 5.037 -11.340 1.00 0.00 H new ATOM 424 N LEU A 27 -9.583 4.164 -5.867 1.00 0.00 N ATOM 425 CA LEU A 27 -9.974 3.142 -4.883 1.00 0.00 C ATOM 426 C LEU A 27 -11.419 3.352 -4.415 1.00 0.00 C ATOM 427 O LEU A 27 -12.149 2.385 -4.223 1.00 0.00 O ATOM 428 CB LEU A 27 -9.005 3.141 -3.688 1.00 0.00 C ATOM 429 CG LEU A 27 -7.560 2.665 -4.008 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.686 2.752 -2.760 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.539 1.239 -4.621 1.00 0.00 C ATOM 0 H LEU A 27 -9.024 4.925 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.919 2.167 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.956 4.150 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.417 2.501 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.147 3.333 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.677 2.416 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.652 3.784 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.104 2.118 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.509 0.947 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.981 0.534 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.112 1.233 -5.548 1.00 0.00 H new ATOM 443 N ALA A 28 -11.837 4.619 -4.287 1.00 0.00 N ATOM 444 CA ALA A 28 -13.177 4.968 -3.786 1.00 0.00 C ATOM 445 C ALA A 28 -14.260 4.531 -4.794 1.00 0.00 C ATOM 446 O ALA A 28 -15.311 4.007 -4.406 1.00 0.00 O ATOM 447 CB ALA A 28 -13.264 6.478 -3.496 1.00 0.00 C ATOM 0 H ALA A 28 -11.262 5.427 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.353 4.434 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.260 6.721 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.522 6.747 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.071 7.036 -4.412 1.00 0.00 H new ATOM 453 N ARG A 29 -13.976 4.760 -6.088 1.00 0.00 N ATOM 454 CA ARG A 29 -14.893 4.463 -7.199 1.00 0.00 C ATOM 455 C ARG A 29 -14.701 3.025 -7.726 1.00 0.00 C ATOM 456 O ARG A 29 -15.637 2.216 -7.666 1.00 0.00 O ATOM 457 CB ARG A 29 -14.699 5.513 -8.330 1.00 0.00 C ATOM 458 CG ARG A 29 -14.898 6.976 -7.861 1.00 0.00 C ATOM 459 CD ARG A 29 -14.865 7.991 -9.016 1.00 0.00 C ATOM 460 NE ARG A 29 -14.978 9.386 -8.535 1.00 0.00 N ATOM 461 CZ ARG A 29 -15.725 10.348 -9.095 1.00 0.00 C ATOM 462 NH1 ARG A 29 -16.503 10.084 -10.134 1.00 0.00 N ATOM 463 NH2 ARG A 29 -15.693 11.571 -8.595 1.00 0.00 N ATOM 0 H ARG A 29 -13.090 5.162 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.917 4.527 -6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.697 5.407 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.401 5.300 -9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.852 7.058 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.120 7.229 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.936 7.875 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.681 7.779 -9.707 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.441 9.637 -7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.539 9.139 -10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.066 10.825 -10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.103 11.777 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.258 12.309 -9.015 1.00 0.00 H new ATOM 477 N ALA A 30 -13.481 2.705 -8.214 1.00 0.00 N ATOM 478 CA ALA A 30 -13.199 1.389 -8.831 1.00 0.00 C ATOM 479 C ALA A 30 -13.050 0.298 -7.771 1.00 0.00 C ATOM 480 O ALA A 30 -13.678 -0.765 -7.890 1.00 0.00 O ATOM 481 CB ALA A 30 -11.943 1.432 -9.721 1.00 0.00 C ATOM 0 H ALA A 30 -12.680 3.336 -8.193 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.055 1.149 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.771 0.447 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.087 2.160 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.081 1.719 -9.120 1.00 0.00 H new ATOM 487 N GLY A 31 -12.204 0.556 -6.747 1.00 0.00 N ATOM 488 CA GLY A 31 -11.951 -0.409 -5.680 1.00 0.00 C ATOM 489 C GLY A 31 -13.198 -0.826 -4.927 1.00 0.00 C ATOM 490 O GLY A 31 -13.899 0.020 -4.368 1.00 0.00 O ATOM 0 H GLY A 31 -11.689 1.431 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.482 -1.295 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.238 0.020 -4.976 1.00 0.00 H new ATOM 494 N ARG A 32 -13.474 -2.132 -4.920 1.00 0.00 N ATOM 495 CA ARG A 32 -14.675 -2.694 -4.290 1.00 0.00 C ATOM 496 C ARG A 32 -14.584 -2.613 -2.749 1.00 0.00 C ATOM 497 O ARG A 32 -15.531 -2.152 -2.113 1.00 0.00 O ATOM 498 CB ARG A 32 -14.881 -4.162 -4.747 1.00 0.00 C ATOM 499 CG ARG A 32 -14.935 -4.363 -6.281 1.00 0.00 C ATOM 500 CD ARG A 32 -15.247 -5.814 -6.694 1.00 0.00 C ATOM 501 NE ARG A 32 -16.585 -6.242 -6.225 1.00 0.00 N ATOM 502 CZ ARG A 32 -17.454 -6.994 -6.917 1.00 0.00 C ATOM 503 NH1 ARG A 32 -17.154 -7.440 -8.130 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.630 -7.288 -6.389 1.00 0.00 N ATOM 0 H ARG A 32 -12.871 -2.833 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.535 -2.103 -4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.072 -4.770 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.808 -4.536 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.693 -3.702 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.979 -4.067 -6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.197 -5.902 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.488 -6.480 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.871 -5.938 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.252 -7.212 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.825 -8.011 -8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.872 -6.943 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.295 -7.859 -6.911 1.00 0.00 H new ATOM 518 N ASP A 33 -13.398 -2.989 -2.199 1.00 0.00 N ATOM 519 CA ASP A 33 -13.117 -3.099 -0.727 1.00 0.00 C ATOM 520 C ASP A 33 -11.875 -3.985 -0.541 1.00 0.00 C ATOM 521 O ASP A 33 -11.804 -5.067 -1.132 1.00 0.00 O ATOM 522 CB ASP A 33 -14.308 -3.697 0.129 1.00 0.00 C ATOM 523 CG ASP A 33 -15.036 -2.654 1.010 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.430 -2.173 1.986 1.00 0.00 O ATOM 525 OD2 ASP A 33 -16.208 -2.309 0.727 1.00 0.00 O ATOM 0 H ASP A 33 -12.589 -3.231 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.966 -2.084 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.031 -4.156 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.920 -4.490 0.768 1.00 0.00 H new ATOM 530 N GLY A 34 -10.912 -3.527 0.282 1.00 0.00 N ATOM 531 CA GLY A 34 -9.644 -4.245 0.480 1.00 0.00 C ATOM 532 C GLY A 34 -8.736 -4.146 -0.743 1.00 0.00 C ATOM 533 O GLY A 34 -7.827 -4.967 -0.933 1.00 0.00 O ATOM 0 H GLY A 34 -10.991 -2.663 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.128 -3.837 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.850 -5.293 0.695 1.00 0.00 H new ATOM 537 N SER A 35 -9.011 -3.125 -1.572 1.00 0.00 N ATOM 538 CA SER A 35 -8.293 -2.855 -2.812 1.00 0.00 C ATOM 539 C SER A 35 -7.024 -2.062 -2.505 1.00 0.00 C ATOM 540 O SER A 35 -7.033 -1.220 -1.610 1.00 0.00 O ATOM 541 CB SER A 35 -9.207 -2.050 -3.748 1.00 0.00 C ATOM 542 OG SER A 35 -10.484 -2.663 -3.866 1.00 0.00 O ATOM 0 H SER A 35 -9.757 -2.454 -1.387 1.00 0.00 H new ATOM 0 HA SER A 35 -8.013 -3.791 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.321 -1.035 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.746 -1.970 -4.732 1.00 0.00 H new ATOM 0 HG SER A 35 -10.680 -2.830 -4.811 1.00 0.00 H new ATOM 548 N PHE A 36 -5.943 -2.311 -3.252 1.00 0.00 N ATOM 549 CA PHE A 36 -4.672 -1.596 -3.055 1.00 0.00 C ATOM 550 C PHE A 36 -3.994 -1.302 -4.396 1.00 0.00 C ATOM 551 O PHE A 36 -4.156 -2.049 -5.368 1.00 0.00 O ATOM 552 CB PHE A 36 -3.718 -2.395 -2.118 1.00 0.00 C ATOM 553 CG PHE A 36 -3.158 -3.700 -2.703 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.933 -4.855 -2.750 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.854 -3.766 -3.208 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.433 -6.025 -3.281 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.357 -4.936 -3.737 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.146 -6.065 -3.772 1.00 0.00 C ATOM 0 H PHE A 36 -5.920 -3.003 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.898 -0.644 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.882 -1.751 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.253 -2.630 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.942 -4.834 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.228 -2.886 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.050 -6.911 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.349 -4.969 -4.124 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.755 -6.983 -4.185 1.00 0.00 H new ATOM 568 N LEU A 37 -3.233 -0.204 -4.431 1.00 0.00 N ATOM 569 CA LEU A 37 -2.355 0.146 -5.549 1.00 0.00 C ATOM 570 C LEU A 37 -1.022 0.677 -5.017 1.00 0.00 C ATOM 571 O LEU A 37 -0.974 1.275 -3.943 1.00 0.00 O ATOM 572 CB LEU A 37 -3.064 1.150 -6.525 1.00 0.00 C ATOM 573 CG LEU A 37 -3.534 2.553 -5.970 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.399 3.602 -5.961 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.769 3.090 -6.749 1.00 0.00 C ATOM 0 H LEU A 37 -3.210 0.476 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.139 -0.748 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.385 1.336 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.940 0.648 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.826 2.386 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.779 4.546 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.583 3.250 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.033 3.751 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.065 4.056 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.513 3.204 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.595 2.386 -6.651 1.00 0.00 H new ATOM 587 N VAL A 38 0.065 0.447 -5.762 1.00 0.00 N ATOM 588 CA VAL A 38 1.382 0.995 -5.433 1.00 0.00 C ATOM 589 C VAL A 38 1.762 1.982 -6.544 1.00 0.00 C ATOM 590 O VAL A 38 1.545 1.718 -7.730 1.00 0.00 O ATOM 591 CB VAL A 38 2.483 -0.116 -5.260 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.853 0.492 -4.847 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.039 -1.188 -4.234 1.00 0.00 C ATOM 0 H VAL A 38 0.055 -0.123 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 38 1.327 1.498 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 38 2.608 -0.596 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.587 -0.306 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.188 1.190 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.746 1.019 -3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.819 -1.942 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.866 -0.716 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.119 -1.661 -4.577 1.00 0.00 H new ATOM 603 N ARG A 39 2.295 3.122 -6.138 1.00 0.00 N ATOM 604 CA ARG A 39 2.631 4.241 -7.019 1.00 0.00 C ATOM 605 C ARG A 39 4.011 4.784 -6.647 1.00 0.00 C ATOM 606 O ARG A 39 4.533 4.484 -5.565 1.00 0.00 O ATOM 607 CB ARG A 39 1.542 5.347 -6.902 1.00 0.00 C ATOM 608 CG ARG A 39 1.213 5.767 -5.442 1.00 0.00 C ATOM 609 CD ARG A 39 0.206 6.929 -5.355 1.00 0.00 C ATOM 610 NE ARG A 39 0.737 8.142 -6.007 1.00 0.00 N ATOM 611 CZ ARG A 39 1.024 9.309 -5.400 1.00 0.00 C ATOM 612 NH1 ARG A 39 0.795 9.487 -4.098 1.00 0.00 N ATOM 613 NH2 ARG A 39 1.533 10.297 -6.114 1.00 0.00 N ATOM 0 H ARG A 39 2.514 3.305 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 39 2.661 3.902 -8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.872 6.226 -7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.629 4.994 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.812 4.907 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.135 6.056 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.731 6.638 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.018 7.143 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 39 0.902 8.091 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.395 8.731 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.020 10.379 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.704 10.170 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.755 11.187 -5.668 1.00 0.00 H new ATOM 627 N ASP A 40 4.587 5.593 -7.539 1.00 0.00 N ATOM 628 CA ASP A 40 5.871 6.261 -7.280 1.00 0.00 C ATOM 629 C ASP A 40 5.624 7.584 -6.535 1.00 0.00 C ATOM 630 O ASP A 40 4.743 8.370 -6.912 1.00 0.00 O ATOM 631 CB ASP A 40 6.649 6.516 -8.593 1.00 0.00 C ATOM 632 CG ASP A 40 7.188 5.223 -9.227 1.00 0.00 C ATOM 633 OD1 ASP A 40 6.462 4.577 -10.011 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.341 4.844 -8.949 1.00 0.00 O ATOM 0 H ASP A 40 4.185 5.804 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 40 6.481 5.605 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.995 7.019 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.481 7.191 -8.392 1.00 0.00 H new ATOM 639 N SER A 41 6.391 7.792 -5.459 1.00 0.00 N ATOM 640 CA SER A 41 6.436 9.049 -4.708 1.00 0.00 C ATOM 641 C SER A 41 7.557 9.925 -5.300 1.00 0.00 C ATOM 642 O SER A 41 8.464 9.415 -5.973 1.00 0.00 O ATOM 643 CB SER A 41 6.703 8.752 -3.217 1.00 0.00 C ATOM 644 OG SER A 41 5.722 7.878 -2.682 1.00 0.00 O ATOM 0 H SER A 41 7.010 7.076 -5.079 1.00 0.00 H new ATOM 0 HA SER A 41 5.485 9.576 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.691 8.306 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.708 9.685 -2.653 1.00 0.00 H new ATOM 0 HG SER A 41 5.917 7.706 -1.737 1.00 0.00 H new ATOM 650 N GLU A 42 7.531 11.224 -5.006 1.00 0.00 N ATOM 651 CA GLU A 42 8.486 12.182 -5.557 1.00 0.00 C ATOM 652 C GLU A 42 8.775 13.202 -4.445 1.00 0.00 C ATOM 653 O GLU A 42 8.217 14.306 -4.431 1.00 0.00 O ATOM 654 CB GLU A 42 7.915 12.850 -6.839 1.00 0.00 C ATOM 655 CG GLU A 42 8.950 13.673 -7.627 1.00 0.00 C ATOM 656 CD GLU A 42 8.347 14.485 -8.783 1.00 0.00 C ATOM 657 OE1 GLU A 42 7.913 13.885 -9.793 1.00 0.00 O ATOM 658 OE2 GLU A 42 8.279 15.731 -8.681 1.00 0.00 O ATOM 0 H GLU A 42 6.845 11.642 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 42 9.412 11.695 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.509 12.076 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.085 13.499 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.456 14.354 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.709 12.999 -8.026 1.00 0.00 H new ATOM 665 N SER A 43 9.579 12.761 -3.463 1.00 0.00 N ATOM 666 CA SER A 43 9.878 13.531 -2.246 1.00 0.00 C ATOM 667 C SER A 43 11.091 12.891 -1.543 1.00 0.00 C ATOM 668 O SER A 43 12.184 13.470 -1.525 1.00 0.00 O ATOM 669 CB SER A 43 8.625 13.589 -1.321 1.00 0.00 C ATOM 670 OG SER A 43 8.826 14.439 -0.207 1.00 0.00 O ATOM 0 H SER A 43 10.043 11.853 -3.493 1.00 0.00 H new ATOM 0 HA SER A 43 10.129 14.561 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.767 13.940 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.386 12.585 -0.972 1.00 0.00 H new ATOM 0 HG SER A 43 8.017 14.449 0.347 1.00 0.00 H new ATOM 676 N VAL A 44 10.898 11.670 -0.992 1.00 0.00 N ATOM 677 CA VAL A 44 11.990 10.868 -0.394 1.00 0.00 C ATOM 678 C VAL A 44 12.729 10.128 -1.527 1.00 0.00 C ATOM 679 O VAL A 44 12.434 8.964 -1.825 1.00 0.00 O ATOM 680 CB VAL A 44 11.447 9.849 0.689 1.00 0.00 C ATOM 681 CG1 VAL A 44 12.592 8.996 1.301 1.00 0.00 C ATOM 682 CG2 VAL A 44 10.659 10.587 1.797 1.00 0.00 C ATOM 0 H VAL A 44 9.986 11.215 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 44 12.678 11.534 0.126 1.00 0.00 H new ATOM 0 HB VAL A 44 10.766 9.167 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.179 8.309 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.084 8.427 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.318 9.652 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.297 9.865 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.312 11.307 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.812 11.111 1.354 1.00 0.00 H new ATOM 692 N ALA A 45 13.658 10.856 -2.178 1.00 0.00 N ATOM 693 CA ALA A 45 14.345 10.420 -3.417 1.00 0.00 C ATOM 694 C ALA A 45 13.328 9.853 -4.456 1.00 0.00 C ATOM 695 O ALA A 45 12.357 10.543 -4.786 1.00 0.00 O ATOM 696 CB ALA A 45 15.491 9.450 -3.057 1.00 0.00 C ATOM 0 H ALA A 45 13.958 11.776 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 45 14.803 11.276 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.996 9.129 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.204 9.955 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.083 8.580 -2.543 1.00 0.00 H new ATOM 702 N GLY A 46 13.509 8.587 -4.907 1.00 0.00 N ATOM 703 CA GLY A 46 12.536 7.894 -5.747 1.00 0.00 C ATOM 704 C GLY A 46 11.868 6.807 -4.932 1.00 0.00 C ATOM 705 O GLY A 46 12.222 5.631 -5.028 1.00 0.00 O ATOM 0 H GLY A 46 14.336 8.030 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.791 8.597 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.030 7.462 -6.618 1.00 0.00 H new ATOM 709 N ALA A 47 10.895 7.214 -4.113 1.00 0.00 N ATOM 710 CA ALA A 47 10.232 6.331 -3.130 1.00 0.00 C ATOM 711 C ALA A 47 8.969 5.681 -3.720 1.00 0.00 C ATOM 712 O ALA A 47 8.580 5.955 -4.858 1.00 0.00 O ATOM 713 CB ALA A 47 9.889 7.099 -1.838 1.00 0.00 C ATOM 0 H ALA A 47 10.538 8.169 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 47 10.935 5.536 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.402 6.425 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.804 7.490 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.218 7.925 -2.073 1.00 0.00 H new ATOM 719 N PHE A 48 8.371 4.777 -2.935 1.00 0.00 N ATOM 720 CA PHE A 48 7.072 4.141 -3.240 1.00 0.00 C ATOM 721 C PHE A 48 6.015 4.595 -2.210 1.00 0.00 C ATOM 722 O PHE A 48 6.356 5.010 -1.088 1.00 0.00 O ATOM 723 CB PHE A 48 7.184 2.591 -3.215 1.00 0.00 C ATOM 724 CG PHE A 48 8.210 2.008 -4.183 1.00 0.00 C ATOM 725 CD1 PHE A 48 7.871 1.740 -5.509 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.512 1.719 -3.762 1.00 0.00 C ATOM 727 CE1 PHE A 48 8.803 1.221 -6.387 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.442 1.203 -4.643 1.00 0.00 C ATOM 729 CZ PHE A 48 10.086 0.946 -5.955 1.00 0.00 C ATOM 0 H PHE A 48 8.777 4.458 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 48 6.772 4.448 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.439 2.275 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.207 2.166 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.867 1.941 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.794 1.902 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.528 1.030 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.448 1.000 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.810 0.531 -6.640 1.00 0.00 H new ATOM 739 N ALA A 49 4.738 4.544 -2.623 1.00 0.00 N ATOM 740 CA ALA A 49 3.568 4.749 -1.752 1.00 0.00 C ATOM 741 C ALA A 49 2.516 3.673 -2.066 1.00 0.00 C ATOM 742 O ALA A 49 2.382 3.254 -3.214 1.00 0.00 O ATOM 743 CB ALA A 49 2.984 6.164 -1.940 1.00 0.00 C ATOM 0 H ALA A 49 4.484 4.355 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 49 3.873 4.660 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.121 6.291 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.742 6.907 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.676 6.296 -2.977 1.00 0.00 H new ATOM 749 N LEU A 50 1.767 3.252 -1.047 1.00 0.00 N ATOM 750 CA LEU A 50 0.769 2.174 -1.144 1.00 0.00 C ATOM 751 C LEU A 50 -0.588 2.697 -0.660 1.00 0.00 C ATOM 752 O LEU A 50 -0.779 2.915 0.523 1.00 0.00 O ATOM 753 CB LEU A 50 1.240 0.961 -0.294 1.00 0.00 C ATOM 754 CG LEU A 50 0.236 -0.224 -0.100 1.00 0.00 C ATOM 755 CD1 LEU A 50 -0.231 -0.838 -1.436 1.00 0.00 C ATOM 756 CD2 LEU A 50 0.828 -1.307 0.832 1.00 0.00 C ATOM 0 H LEU A 50 1.834 3.654 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 50 0.663 1.848 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.145 0.562 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.518 1.331 0.693 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.651 0.195 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.925 -1.655 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.730 -0.074 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.632 -1.219 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.110 -2.118 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.748 -1.697 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.044 -0.870 1.807 1.00 0.00 H new ATOM 768 N CYS A 51 -1.525 2.881 -1.584 1.00 0.00 N ATOM 769 CA CYS A 51 -2.873 3.364 -1.272 1.00 0.00 C ATOM 770 C CYS A 51 -3.767 2.133 -1.089 1.00 0.00 C ATOM 771 O CYS A 51 -3.798 1.274 -1.967 1.00 0.00 O ATOM 772 CB CYS A 51 -3.392 4.270 -2.414 1.00 0.00 C ATOM 773 SG CYS A 51 -2.273 5.630 -2.847 1.00 0.00 S ATOM 0 H CYS A 51 -1.374 2.700 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.874 3.963 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.563 3.658 -3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.357 4.686 -2.123 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.878 6.766 -2.663 1.00 0.00 H new ATOM 779 N VAL A 52 -4.475 2.022 0.053 1.00 0.00 N ATOM 780 CA VAL A 52 -5.323 0.841 0.358 1.00 0.00 C ATOM 781 C VAL A 52 -6.699 1.302 0.854 1.00 0.00 C ATOM 782 O VAL A 52 -6.784 2.005 1.854 1.00 0.00 O ATOM 783 CB VAL A 52 -4.688 -0.105 1.453 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.553 -1.378 1.675 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.230 -0.495 1.112 1.00 0.00 C ATOM 0 H VAL A 52 -4.479 2.734 0.783 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.409 0.273 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.669 0.464 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.087 -2.006 2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.550 -1.087 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.629 -1.934 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.835 -1.145 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.208 -1.020 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.619 0.405 1.046 1.00 0.00 H new ATOM 795 N LEU A 53 -7.763 0.894 0.154 1.00 0.00 N ATOM 796 CA LEU A 53 -9.150 1.091 0.591 1.00 0.00 C ATOM 797 C LEU A 53 -9.567 -0.078 1.493 1.00 0.00 C ATOM 798 O LEU A 53 -9.242 -1.230 1.199 1.00 0.00 O ATOM 799 CB LEU A 53 -10.116 1.151 -0.622 1.00 0.00 C ATOM 800 CG LEU A 53 -11.644 1.171 -0.270 1.00 0.00 C ATOM 801 CD1 LEU A 53 -12.068 2.498 0.405 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.508 0.849 -1.497 1.00 0.00 C ATOM 0 H LEU A 53 -7.685 0.412 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.206 2.035 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.884 2.042 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.920 0.291 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.815 0.381 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.134 2.467 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.505 2.632 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.864 3.330 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.561 0.872 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.324 1.589 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.253 -0.143 -1.871 1.00 0.00 H new ATOM 814 N TYR A 54 -10.308 0.234 2.562 1.00 0.00 N ATOM 815 CA TYR A 54 -10.952 -0.757 3.417 1.00 0.00 C ATOM 816 C TYR A 54 -12.024 -0.045 4.261 1.00 0.00 C ATOM 817 O TYR A 54 -11.702 0.892 4.989 1.00 0.00 O ATOM 818 CB TYR A 54 -9.916 -1.478 4.327 1.00 0.00 C ATOM 819 CG TYR A 54 -10.465 -2.725 5.044 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.085 -3.745 4.314 1.00 0.00 C ATOM 821 CD2 TYR A 54 -10.345 -2.895 6.426 1.00 0.00 C ATOM 822 CE1 TYR A 54 -11.564 -4.876 4.937 1.00 0.00 C ATOM 823 CE2 TYR A 54 -10.825 -4.030 7.050 1.00 0.00 C ATOM 824 CZ TYR A 54 -11.432 -5.016 6.302 1.00 0.00 C ATOM 825 OH TYR A 54 -11.907 -6.152 6.919 1.00 0.00 O ATOM 0 H TYR A 54 -10.477 1.196 2.858 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.417 -1.525 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.058 -1.769 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.553 -0.773 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.190 -3.644 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.869 -2.126 7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.042 -5.652 4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.725 -4.144 8.119 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.736 -6.097 7.882 1.00 0.00 H new ATOM 835 N GLN A 55 -13.278 -0.506 4.119 1.00 0.00 N ATOM 836 CA GLN A 55 -14.476 -0.028 4.863 1.00 0.00 C ATOM 837 C GLN A 55 -14.538 1.519 5.023 1.00 0.00 C ATOM 838 O GLN A 55 -14.356 2.044 6.130 1.00 0.00 O ATOM 839 CB GLN A 55 -14.573 -0.742 6.244 1.00 0.00 C ATOM 840 CG GLN A 55 -14.407 -2.276 6.179 1.00 0.00 C ATOM 841 CD GLN A 55 -14.661 -2.965 7.517 1.00 0.00 C ATOM 842 OE1 GLN A 55 -15.772 -3.402 7.804 1.00 0.00 O ATOM 843 NE2 GLN A 55 -13.647 -3.019 8.363 1.00 0.00 N ATOM 0 H GLN A 55 -13.503 -1.251 3.460 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.343 -0.293 4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.809 -0.333 6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.540 -0.511 6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.094 -2.678 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.398 -2.512 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.737 -2.647 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.775 -3.433 9.286 1.00 0.00 H new ATOM 852 N LYS A 56 -14.725 2.228 3.884 1.00 0.00 N ATOM 853 CA LYS A 56 -14.854 3.710 3.818 1.00 0.00 C ATOM 854 C LYS A 56 -13.616 4.447 4.378 1.00 0.00 C ATOM 855 O LYS A 56 -13.700 5.607 4.797 1.00 0.00 O ATOM 856 CB LYS A 56 -16.177 4.188 4.499 1.00 0.00 C ATOM 857 CG LYS A 56 -17.503 3.697 3.847 1.00 0.00 C ATOM 858 CD LYS A 56 -17.756 4.227 2.399 1.00 0.00 C ATOM 859 CE LYS A 56 -17.119 3.356 1.287 1.00 0.00 C ATOM 860 NZ LYS A 56 -17.312 3.941 -0.053 1.00 0.00 N ATOM 0 H LYS A 56 -14.792 1.782 2.969 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.905 3.976 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.165 3.860 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.183 5.278 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.499 2.607 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.337 3.999 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.831 4.287 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.364 5.241 2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.053 3.242 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.557 2.358 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.871 3.327 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.329 4.027 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.872 4.883 -0.087 1.00 0.00 H new ATOM 874 N HIS A 57 -12.460 3.779 4.290 1.00 0.00 N ATOM 875 CA HIS A 57 -11.177 4.302 4.772 1.00 0.00 C ATOM 876 C HIS A 57 -10.080 3.944 3.760 1.00 0.00 C ATOM 877 O HIS A 57 -9.717 2.781 3.637 1.00 0.00 O ATOM 878 CB HIS A 57 -10.881 3.714 6.190 1.00 0.00 C ATOM 879 CG HIS A 57 -9.500 3.980 6.743 1.00 0.00 C ATOM 880 ND1 HIS A 57 -8.785 3.032 7.443 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.730 5.094 6.739 1.00 0.00 C ATOM 882 CE1 HIS A 57 -7.640 3.545 7.839 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.581 4.797 7.425 1.00 0.00 N ATOM 0 H HIS A 57 -12.389 2.849 3.877 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.210 5.388 4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.614 4.117 6.889 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.034 2.635 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.976 6.041 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.879 3.030 8.406 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.806 5.439 7.589 1.00 0.00 H new ATOM 892 N VAL A 58 -9.592 4.938 3.003 1.00 0.00 N ATOM 893 CA VAL A 58 -8.362 4.802 2.201 1.00 0.00 C ATOM 894 C VAL A 58 -7.198 5.317 3.055 1.00 0.00 C ATOM 895 O VAL A 58 -7.259 6.446 3.542 1.00 0.00 O ATOM 896 CB VAL A 58 -8.415 5.609 0.845 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.120 5.398 0.005 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.672 5.246 0.019 1.00 0.00 C ATOM 0 H VAL A 58 -10.034 5.854 2.928 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.241 3.753 1.931 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.478 6.666 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.190 5.968 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.256 5.739 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.006 4.339 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.677 5.820 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.660 4.181 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.567 5.481 0.596 1.00 0.00 H new ATOM 908 N HIS A 59 -6.187 4.474 3.300 1.00 0.00 N ATOM 909 CA HIS A 59 -4.939 4.858 3.985 1.00 0.00 C ATOM 910 C HIS A 59 -3.759 4.653 3.022 1.00 0.00 C ATOM 911 O HIS A 59 -3.702 3.637 2.333 1.00 0.00 O ATOM 912 CB HIS A 59 -4.753 3.978 5.256 1.00 0.00 C ATOM 913 CG HIS A 59 -3.526 4.280 6.080 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.767 3.302 6.674 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.921 5.453 6.393 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.760 3.853 7.321 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.827 5.157 7.161 1.00 0.00 N ATOM 0 H HIS A 59 -6.210 3.492 3.026 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.984 5.905 4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.632 4.094 5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.716 2.932 4.951 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -2.954 2.301 6.622 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.243 6.439 6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.007 3.324 7.887 1.00 0.00 H new ATOM 926 N THR A 60 -2.811 5.601 3.013 1.00 0.00 N ATOM 927 CA THR A 60 -1.602 5.532 2.182 1.00 0.00 C ATOM 928 C THR A 60 -0.395 5.213 3.081 1.00 0.00 C ATOM 929 O THR A 60 -0.308 5.706 4.211 1.00 0.00 O ATOM 930 CB THR A 60 -1.367 6.866 1.392 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.475 7.979 2.281 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.372 7.046 0.248 1.00 0.00 C ATOM 0 H THR A 60 -2.863 6.443 3.587 1.00 0.00 H new ATOM 0 HA THR A 60 -1.729 4.742 1.442 1.00 0.00 H new ATOM 0 HB THR A 60 -0.367 6.814 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.171 8.792 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.170 7.984 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.278 6.217 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.384 7.066 0.652 1.00 0.00 H new ATOM 940 N TYR A 61 0.499 4.348 2.588 1.00 0.00 N ATOM 941 CA TYR A 61 1.706 3.905 3.284 1.00 0.00 C ATOM 942 C TYR A 61 2.910 4.326 2.434 1.00 0.00 C ATOM 943 O TYR A 61 3.120 3.752 1.367 1.00 0.00 O ATOM 944 CB TYR A 61 1.722 2.346 3.423 1.00 0.00 C ATOM 945 CG TYR A 61 0.483 1.721 4.086 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.725 1.616 3.395 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.526 1.211 5.388 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.832 1.060 3.975 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.592 0.646 5.968 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.760 0.567 5.248 1.00 0.00 C ATOM 951 OH TYR A 61 -2.873 0.015 5.806 1.00 0.00 O ATOM 0 H TYR A 61 0.396 3.926 1.665 1.00 0.00 H new ATOM 0 HA TYR A 61 1.738 4.347 4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.837 1.913 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.602 2.060 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.787 1.982 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.448 1.260 5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.762 1.011 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.549 0.269 6.979 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.631 0.627 5.699 1.00 0.00 H new ATOM 961 N ARG A 62 3.672 5.337 2.870 1.00 0.00 N ATOM 962 CA ARG A 62 4.956 5.678 2.211 1.00 0.00 C ATOM 963 C ARG A 62 5.987 4.576 2.510 1.00 0.00 C ATOM 964 O ARG A 62 5.953 3.952 3.578 1.00 0.00 O ATOM 965 CB ARG A 62 5.457 7.099 2.605 1.00 0.00 C ATOM 966 CG ARG A 62 5.248 7.501 4.079 1.00 0.00 C ATOM 967 CD ARG A 62 5.586 8.986 4.325 1.00 0.00 C ATOM 968 NE ARG A 62 5.041 9.490 5.603 1.00 0.00 N ATOM 969 CZ ARG A 62 4.779 10.787 5.868 1.00 0.00 C ATOM 970 NH1 ARG A 62 5.049 11.736 4.979 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.245 11.124 7.030 1.00 0.00 N ATOM 0 H ARG A 62 3.433 5.931 3.664 1.00 0.00 H new ATOM 0 HA ARG A 62 4.804 5.719 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.521 7.164 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.951 7.830 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.213 7.313 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.872 6.876 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.668 9.114 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.191 9.585 3.505 1.00 0.00 H new ATOM 0 HE ARG A 62 4.849 8.809 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.461 11.489 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.844 12.711 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.033 10.405 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.045 12.103 7.235 1.00 0.00 H new ATOM 985 N ILE A 63 6.930 4.365 1.583 1.00 0.00 N ATOM 986 CA ILE A 63 7.683 3.090 1.473 1.00 0.00 C ATOM 987 C ILE A 63 9.055 3.554 0.977 1.00 0.00 C ATOM 988 O ILE A 63 9.160 3.983 -0.173 1.00 0.00 O ATOM 989 CB ILE A 63 7.063 2.035 0.468 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.628 1.576 0.900 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.005 0.813 0.289 1.00 0.00 C ATOM 992 CD1 ILE A 63 4.904 0.691 -0.111 1.00 0.00 C ATOM 0 H ILE A 63 7.198 5.062 0.888 1.00 0.00 H new ATOM 0 HA ILE A 63 7.686 2.557 2.424 1.00 0.00 H new ATOM 0 HB ILE A 63 6.963 2.536 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.704 1.037 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.020 2.461 1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.554 0.105 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.964 1.148 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.158 0.328 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.921 0.425 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.790 1.231 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.484 -0.216 -0.282 1.00 0.00 H new ATOM 1004 N LEU A 64 10.075 3.556 1.845 1.00 0.00 N ATOM 1005 CA LEU A 64 11.303 4.355 1.635 1.00 0.00 C ATOM 1006 C LEU A 64 12.504 3.458 1.251 1.00 0.00 C ATOM 1007 O LEU A 64 13.110 2.865 2.148 1.00 0.00 O ATOM 1008 CB LEU A 64 11.654 5.180 2.932 1.00 0.00 C ATOM 1009 CG LEU A 64 10.660 6.316 3.375 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.311 5.764 3.893 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.318 7.231 4.437 1.00 0.00 C ATOM 0 H LEU A 64 10.079 3.011 2.707 1.00 0.00 H new ATOM 0 HA LEU A 64 11.108 5.041 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.748 4.477 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.635 5.633 2.785 1.00 0.00 H new ATOM 0 HG LEU A 64 10.437 6.904 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.666 6.593 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.827 5.187 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.488 5.122 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.615 8.011 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.589 6.638 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.214 7.689 4.018 1.00 0.00 H new ATOM 1023 N PRO A 65 12.856 3.321 -0.085 1.00 0.00 N ATOM 1024 CA PRO A 65 14.178 2.806 -0.511 1.00 0.00 C ATOM 1025 C PRO A 65 15.273 3.809 -0.095 1.00 0.00 C ATOM 1026 O PRO A 65 15.536 4.799 -0.791 1.00 0.00 O ATOM 1027 CB PRO A 65 14.050 2.634 -2.048 1.00 0.00 C ATOM 1028 CG PRO A 65 12.944 3.564 -2.438 1.00 0.00 C ATOM 1029 CD PRO A 65 11.994 3.608 -1.255 1.00 0.00 C ATOM 0 HA PRO A 65 14.460 1.860 -0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.981 2.889 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.814 1.603 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.332 4.557 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.434 3.210 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.514 4.582 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.199 2.869 -1.355 1.00 0.00 H new ATOM 1037 N ASP A 66 15.881 3.545 1.067 1.00 0.00 N ATOM 1038 CA ASP A 66 16.607 4.540 1.871 1.00 0.00 C ATOM 1039 C ASP A 66 17.442 3.795 2.950 1.00 0.00 C ATOM 1040 O ASP A 66 17.236 2.591 3.180 1.00 0.00 O ATOM 1041 CB ASP A 66 15.577 5.519 2.522 1.00 0.00 C ATOM 1042 CG ASP A 66 16.208 6.614 3.400 1.00 0.00 C ATOM 1043 OD1 ASP A 66 16.648 7.650 2.852 1.00 0.00 O ATOM 1044 OD2 ASP A 66 16.288 6.433 4.634 1.00 0.00 O ATOM 0 H ASP A 66 15.883 2.615 1.485 1.00 0.00 H new ATOM 0 HA ASP A 66 17.286 5.124 1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.996 5.994 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.879 4.942 3.128 1.00 0.00 H new ATOM 1049 N GLY A 67 18.416 4.496 3.566 1.00 0.00 N ATOM 1050 CA GLY A 67 19.160 3.986 4.727 1.00 0.00 C ATOM 1051 C GLY A 67 20.394 3.187 4.339 1.00 0.00 C ATOM 1052 O GLY A 67 21.525 3.621 4.578 1.00 0.00 O ATOM 0 H GLY A 67 18.705 5.428 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.460 4.824 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.501 3.358 5.326 1.00 0.00 H new ATOM 1056 N GLU A 68 20.163 2.022 3.716 1.00 0.00 N ATOM 1057 CA GLU A 68 21.209 1.064 3.284 1.00 0.00 C ATOM 1058 C GLU A 68 20.781 0.466 1.931 1.00 0.00 C ATOM 1059 O GLU A 68 21.252 -0.613 1.543 1.00 0.00 O ATOM 1060 CB GLU A 68 21.402 -0.080 4.340 1.00 0.00 C ATOM 1061 CG GLU A 68 22.036 0.340 5.681 1.00 0.00 C ATOM 1062 CD GLU A 68 23.521 0.722 5.550 1.00 0.00 C ATOM 1063 OE1 GLU A 68 24.369 -0.191 5.394 1.00 0.00 O ATOM 1064 OE2 GLU A 68 23.851 1.925 5.580 1.00 0.00 O ATOM 0 H GLU A 68 19.220 1.705 3.489 1.00 0.00 H new ATOM 0 HA GLU A 68 22.161 1.586 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.429 -0.527 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.023 -0.858 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 68 21.483 1.186 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 68 21.938 -0.478 6.395 1.00 0.00 H new ATOM 1071 N ASP A 69 19.928 1.226 1.209 1.00 0.00 N ATOM 1072 CA ASP A 69 19.225 0.791 -0.010 1.00 0.00 C ATOM 1073 C ASP A 69 18.298 -0.409 0.313 1.00 0.00 C ATOM 1074 O ASP A 69 18.464 -1.516 -0.200 1.00 0.00 O ATOM 1075 CB ASP A 69 20.216 0.488 -1.188 1.00 0.00 C ATOM 1076 CG ASP A 69 19.522 0.405 -2.568 1.00 0.00 C ATOM 1077 OD1 ASP A 69 19.364 1.454 -3.226 1.00 0.00 O ATOM 1078 OD2 ASP A 69 19.123 -0.701 -2.997 1.00 0.00 O ATOM 0 H ASP A 69 19.706 2.187 1.469 1.00 0.00 H new ATOM 0 HA ASP A 69 18.600 1.613 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 69 20.980 1.265 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.728 -0.454 -0.990 1.00 0.00 H new ATOM 1083 N PHE A 70 17.367 -0.174 1.246 1.00 0.00 N ATOM 1084 CA PHE A 70 16.247 -1.091 1.560 1.00 0.00 C ATOM 1085 C PHE A 70 14.946 -0.290 1.500 1.00 0.00 C ATOM 1086 O PHE A 70 14.974 0.902 1.780 1.00 0.00 O ATOM 1087 CB PHE A 70 16.437 -1.737 2.972 1.00 0.00 C ATOM 1088 CG PHE A 70 16.621 -0.743 4.143 1.00 0.00 C ATOM 1089 CD1 PHE A 70 15.541 -0.047 4.691 1.00 0.00 C ATOM 1090 CD2 PHE A 70 17.875 -0.520 4.698 1.00 0.00 C ATOM 1091 CE1 PHE A 70 15.713 0.832 5.742 1.00 0.00 C ATOM 1092 CE2 PHE A 70 18.046 0.359 5.753 1.00 0.00 C ATOM 1093 CZ PHE A 70 16.965 1.034 6.271 1.00 0.00 C ATOM 0 H PHE A 70 17.364 0.671 1.817 1.00 0.00 H new ATOM 0 HA PHE A 70 16.217 -1.904 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.571 -2.364 3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.306 -2.394 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.552 -0.199 4.285 1.00 0.00 H new ATOM 0 HD2 PHE A 70 18.732 -1.042 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.863 1.361 6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.030 0.515 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.100 1.722 7.093 1.00 0.00 H new ATOM 1103 N LEU A 71 13.814 -0.928 1.184 1.00 0.00 N ATOM 1104 CA LEU A 71 12.502 -0.241 1.187 1.00 0.00 C ATOM 1105 C LEU A 71 11.781 -0.541 2.512 1.00 0.00 C ATOM 1106 O LEU A 71 11.326 -1.663 2.751 1.00 0.00 O ATOM 1107 CB LEU A 71 11.623 -0.622 -0.047 1.00 0.00 C ATOM 1108 CG LEU A 71 11.578 -2.137 -0.450 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.234 -2.510 -1.105 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.756 -2.499 -1.388 1.00 0.00 C ATOM 0 H LEU A 71 13.771 -1.913 0.923 1.00 0.00 H new ATOM 0 HA LEU A 71 12.675 0.832 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.602 -0.294 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.981 -0.054 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 71 11.676 -2.718 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.240 -3.567 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.422 -2.316 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.089 -1.911 -2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.700 -3.555 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.699 -1.895 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.700 -2.301 -0.880 1.00 0.00 H new ATOM 1122 N ALA A 72 11.680 0.495 3.366 1.00 0.00 N ATOM 1123 CA ALA A 72 11.116 0.387 4.720 1.00 0.00 C ATOM 1124 C ALA A 72 9.659 0.853 4.730 1.00 0.00 C ATOM 1125 O ALA A 72 9.348 1.952 4.263 1.00 0.00 O ATOM 1126 CB ALA A 72 11.956 1.213 5.718 1.00 0.00 C ATOM 0 H ALA A 72 11.991 1.438 3.131 1.00 0.00 H new ATOM 0 HA ALA A 72 11.145 -0.659 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.527 1.124 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.980 0.839 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.955 2.260 5.415 1.00 0.00 H new ATOM 1132 N VAL A 73 8.776 -0.004 5.254 1.00 0.00 N ATOM 1133 CA VAL A 73 7.364 0.330 5.444 1.00 0.00 C ATOM 1134 C VAL A 73 7.146 0.727 6.904 1.00 0.00 C ATOM 1135 O VAL A 73 7.508 -0.025 7.825 1.00 0.00 O ATOM 1136 CB VAL A 73 6.412 -0.850 5.061 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.911 -0.470 5.258 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.690 -1.320 3.618 1.00 0.00 C ATOM 0 H VAL A 73 9.021 -0.946 5.557 1.00 0.00 H new ATOM 0 HA VAL A 73 7.119 1.158 4.779 1.00 0.00 H new ATOM 0 HB VAL A 73 6.619 -1.680 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.282 -1.316 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.735 -0.213 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.666 0.385 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.019 -2.142 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.525 -0.493 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.723 -1.658 3.538 1.00 0.00 H new ATOM 1148 N GLN A 74 6.510 1.879 7.092 1.00 0.00 N ATOM 1149 CA GLN A 74 6.301 2.479 8.404 1.00 0.00 C ATOM 1150 C GLN A 74 4.925 2.038 8.915 1.00 0.00 C ATOM 1151 O GLN A 74 3.902 2.671 8.633 1.00 0.00 O ATOM 1152 CB GLN A 74 6.434 4.019 8.334 1.00 0.00 C ATOM 1153 CG GLN A 74 6.274 4.727 9.689 1.00 0.00 C ATOM 1154 CD GLN A 74 6.391 6.243 9.588 1.00 0.00 C ATOM 1155 OE1 GLN A 74 5.406 6.933 9.350 1.00 0.00 O ATOM 1156 NE2 GLN A 74 7.595 6.769 9.752 1.00 0.00 N ATOM 0 H GLN A 74 6.120 2.429 6.327 1.00 0.00 H new ATOM 0 HA GLN A 74 7.065 2.141 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.410 4.270 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.685 4.406 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.303 4.471 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.032 4.355 10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.393 6.165 9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.725 7.778 9.681 1.00 0.00 H new ATOM 1165 N THR A 75 4.922 0.918 9.638 1.00 0.00 N ATOM 1166 CA THR A 75 3.713 0.324 10.205 1.00 0.00 C ATOM 1167 C THR A 75 3.196 1.183 11.379 1.00 0.00 C ATOM 1168 O THR A 75 1.981 1.281 11.595 1.00 0.00 O ATOM 1169 CB THR A 75 4.033 -1.122 10.685 1.00 0.00 C ATOM 1170 OG1 THR A 75 5.106 -1.070 11.643 1.00 0.00 O ATOM 1171 CG2 THR A 75 4.434 -2.051 9.513 1.00 0.00 C ATOM 0 H THR A 75 5.770 0.392 9.849 1.00 0.00 H new ATOM 0 HA THR A 75 2.933 0.286 9.444 1.00 0.00 H new ATOM 0 HB THR A 75 3.131 -1.534 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.611 -1.909 11.614 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.648 -3.049 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.615 -2.106 8.796 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.322 -1.653 9.021 1.00 0.00 H new ATOM 1179 N SER A 76 4.168 1.778 12.117 1.00 0.00 N ATOM 1180 CA SER A 76 3.954 2.762 13.200 1.00 0.00 C ATOM 1181 C SER A 76 3.458 2.113 14.504 1.00 0.00 C ATOM 1182 O SER A 76 3.080 0.930 14.518 1.00 0.00 O ATOM 1183 CB SER A 76 3.027 3.920 12.749 1.00 0.00 C ATOM 1184 OG SER A 76 3.523 4.536 11.576 1.00 0.00 O ATOM 0 H SER A 76 5.156 1.576 11.966 1.00 0.00 H new ATOM 0 HA SER A 76 4.931 3.191 13.421 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.023 3.537 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.947 4.659 13.546 1.00 0.00 H new ATOM 0 HG SER A 76 2.922 5.262 11.309 1.00 0.00 H new ATOM 1190 N GLN A 77 3.506 2.914 15.600 1.00 0.00 N ATOM 1191 CA GLN A 77 3.073 2.507 16.953 1.00 0.00 C ATOM 1192 C GLN A 77 4.001 1.419 17.548 1.00 0.00 C ATOM 1193 O GLN A 77 5.149 1.263 17.122 1.00 0.00 O ATOM 1194 CB GLN A 77 1.560 2.057 16.947 1.00 0.00 C ATOM 1195 CG GLN A 77 0.543 3.198 16.768 1.00 0.00 C ATOM 1196 CD GLN A 77 0.494 4.139 17.971 1.00 0.00 C ATOM 1197 OE1 GLN A 77 1.223 5.124 18.030 1.00 0.00 O ATOM 1198 NE2 GLN A 77 -0.350 3.836 18.955 1.00 0.00 N ATOM 0 H GLN A 77 3.852 3.873 15.563 1.00 0.00 H new ATOM 0 HA GLN A 77 3.154 3.376 17.606 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.415 1.332 16.146 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.346 1.543 17.884 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.798 3.769 15.875 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.447 2.774 16.603 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.945 3.011 18.880 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.402 4.429 19.783 1.00 0.00 H new ATOM 1207 N GLY A 78 3.482 0.744 18.590 1.00 0.00 N ATOM 1208 CA GLY A 78 4.094 -0.455 19.189 1.00 0.00 C ATOM 1209 C GLY A 78 4.485 -1.530 18.169 1.00 0.00 C ATOM 1210 O GLY A 78 5.369 -2.347 18.435 1.00 0.00 O ATOM 0 H GLY A 78 2.613 1.021 19.046 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.982 -0.157 19.746 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.397 -0.886 19.907 1.00 0.00 H new ATOM 1214 N VAL A 79 3.808 -1.517 17.001 1.00 0.00 N ATOM 1215 CA VAL A 79 4.131 -2.392 15.864 1.00 0.00 C ATOM 1216 C VAL A 79 5.485 -1.958 15.239 1.00 0.00 C ATOM 1217 O VAL A 79 5.601 -0.801 14.804 1.00 0.00 O ATOM 1218 CB VAL A 79 3.014 -2.357 14.751 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.347 -3.341 13.604 1.00 0.00 C ATOM 1220 CG2 VAL A 79 1.615 -2.642 15.341 1.00 0.00 C ATOM 0 H VAL A 79 3.019 -0.895 16.824 1.00 0.00 H new ATOM 0 HA VAL A 79 4.195 -3.411 16.245 1.00 0.00 H new ATOM 0 HB VAL A 79 2.993 -1.349 14.337 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.562 -3.299 12.849 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.300 -3.065 13.153 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.414 -4.354 14.001 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.871 -2.610 14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.609 -3.629 15.803 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.376 -1.889 16.092 1.00 0.00 H new ATOM 1230 N PRO A 80 6.523 -2.865 15.186 1.00 0.00 N ATOM 1231 CA PRO A 80 7.859 -2.534 14.619 1.00 0.00 C ATOM 1232 C PRO A 80 7.822 -2.236 13.098 1.00 0.00 C ATOM 1233 O PRO A 80 7.095 -2.901 12.344 1.00 0.00 O ATOM 1234 CB PRO A 80 8.711 -3.804 14.921 1.00 0.00 C ATOM 1235 CG PRO A 80 7.944 -4.545 15.976 1.00 0.00 C ATOM 1236 CD PRO A 80 6.491 -4.274 15.671 1.00 0.00 C ATOM 0 HA PRO A 80 8.264 -1.622 15.058 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.841 -4.413 14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.707 -3.536 15.272 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.161 -5.613 15.944 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.209 -4.196 16.974 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.101 -4.955 14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.863 -4.385 16.555 1.00 0.00 H new ATOM 1244 N VAL A 81 8.640 -1.256 12.667 1.00 0.00 N ATOM 1245 CA VAL A 81 8.769 -0.843 11.263 1.00 0.00 C ATOM 1246 C VAL A 81 9.656 -1.864 10.541 1.00 0.00 C ATOM 1247 O VAL A 81 10.822 -2.053 10.921 1.00 0.00 O ATOM 1248 CB VAL A 81 9.384 0.616 11.164 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.877 0.973 9.734 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.344 1.659 11.661 1.00 0.00 C ATOM 0 H VAL A 81 9.238 -0.723 13.298 1.00 0.00 H new ATOM 0 HA VAL A 81 7.787 -0.812 10.791 1.00 0.00 H new ATOM 0 HB VAL A 81 10.265 0.639 11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.287 1.983 9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.650 0.267 9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.041 0.919 9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.770 2.660 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.448 1.603 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.083 1.447 12.698 1.00 0.00 H new ATOM 1260 N ARG A 82 9.109 -2.538 9.519 1.00 0.00 N ATOM 1261 CA ARG A 82 9.811 -3.635 8.838 1.00 0.00 C ATOM 1262 C ARG A 82 10.284 -3.189 7.447 1.00 0.00 C ATOM 1263 O ARG A 82 9.497 -2.672 6.645 1.00 0.00 O ATOM 1264 CB ARG A 82 8.906 -4.886 8.726 1.00 0.00 C ATOM 1265 CG ARG A 82 9.657 -6.155 8.254 1.00 0.00 C ATOM 1266 CD ARG A 82 8.766 -7.404 8.206 1.00 0.00 C ATOM 1267 NE ARG A 82 8.117 -7.702 9.500 1.00 0.00 N ATOM 1268 CZ ARG A 82 7.900 -8.925 10.009 1.00 0.00 C ATOM 1269 NH1 ARG A 82 8.375 -10.013 9.422 1.00 0.00 N ATOM 1270 NH2 ARG A 82 7.208 -9.042 11.121 1.00 0.00 N ATOM 0 H ARG A 82 8.180 -2.342 9.145 1.00 0.00 H new ATOM 0 HA ARG A 82 10.684 -3.900 9.434 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.451 -5.083 9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.094 -4.675 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.073 -5.975 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.497 -6.342 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.999 -7.267 7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.367 -8.261 7.902 1.00 0.00 H new ATOM 0 HE ARG A 82 7.806 -6.906 10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.920 -9.933 8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.196 -10.931 9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.844 -8.210 11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.035 -9.965 11.519 1.00 0.00 H new ATOM 1284 N ARG A 83 11.582 -3.396 7.185 1.00 0.00 N ATOM 1285 CA ARG A 83 12.230 -3.080 5.902 1.00 0.00 C ATOM 1286 C ARG A 83 12.332 -4.348 5.038 1.00 0.00 C ATOM 1287 O ARG A 83 12.345 -5.472 5.565 1.00 0.00 O ATOM 1288 CB ARG A 83 13.631 -2.476 6.179 1.00 0.00 C ATOM 1289 CG ARG A 83 14.552 -3.354 7.064 1.00 0.00 C ATOM 1290 CD ARG A 83 15.881 -2.675 7.430 1.00 0.00 C ATOM 1291 NE ARG A 83 16.735 -3.546 8.261 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.717 -3.128 9.077 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.981 -1.833 9.230 1.00 0.00 N ATOM 1294 NH2 ARG A 83 18.420 -4.026 9.743 1.00 0.00 N ATOM 0 H ARG A 83 12.224 -3.795 7.870 1.00 0.00 H new ATOM 0 HA ARG A 83 11.635 -2.350 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.129 -2.297 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.505 -1.506 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.022 -3.614 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.762 -4.287 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.415 -2.407 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.679 -1.747 7.965 1.00 0.00 H new ATOM 0 HE ARG A 83 16.565 -4.551 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.434 -1.138 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.731 -1.536 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.214 -5.019 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.169 -3.727 10.367 1.00 0.00 H new ATOM 1308 N PHE A 84 12.388 -4.162 3.707 1.00 0.00 N ATOM 1309 CA PHE A 84 12.382 -5.268 2.733 1.00 0.00 C ATOM 1310 C PHE A 84 13.515 -5.120 1.712 1.00 0.00 C ATOM 1311 O PHE A 84 14.007 -4.011 1.461 1.00 0.00 O ATOM 1312 CB PHE A 84 11.016 -5.322 1.997 1.00 0.00 C ATOM 1313 CG PHE A 84 9.840 -5.563 2.934 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.573 -6.841 3.409 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.021 -4.517 3.358 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.530 -7.072 4.267 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.973 -4.753 4.221 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.729 -6.030 4.675 1.00 0.00 C ATOM 0 H PHE A 84 12.439 -3.239 3.276 1.00 0.00 H new ATOM 0 HA PHE A 84 12.538 -6.197 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.861 -4.385 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.045 -6.114 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.197 -7.665 3.097 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.210 -3.513 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.336 -8.073 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.343 -3.936 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.908 -6.214 5.352 1.00 0.00 H new ATOM 1328 N GLN A 85 13.921 -6.263 1.151 1.00 0.00 N ATOM 1329 CA GLN A 85 14.879 -6.334 0.036 1.00 0.00 C ATOM 1330 C GLN A 85 14.217 -5.858 -1.278 1.00 0.00 C ATOM 1331 O GLN A 85 14.799 -5.069 -2.028 1.00 0.00 O ATOM 1332 CB GLN A 85 15.380 -7.793 -0.117 1.00 0.00 C ATOM 1333 CG GLN A 85 16.371 -8.029 -1.281 1.00 0.00 C ATOM 1334 CD GLN A 85 16.789 -9.489 -1.442 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.150 -10.253 -2.148 1.00 0.00 O ATOM 1336 NE2 GLN A 85 17.858 -9.893 -0.779 1.00 0.00 N ATOM 0 H GLN A 85 13.592 -7.178 1.460 1.00 0.00 H new ATOM 0 HA GLN A 85 15.724 -5.680 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.859 -8.096 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.517 -8.444 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.916 -7.686 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.261 -7.421 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.375 -9.235 -0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.166 -10.863 -0.851 1.00 0.00 H new ATOM 1345 N THR A 86 12.993 -6.362 -1.534 1.00 0.00 N ATOM 1346 CA THR A 86 12.227 -6.062 -2.763 1.00 0.00 C ATOM 1347 C THR A 86 10.711 -6.006 -2.470 1.00 0.00 C ATOM 1348 O THR A 86 10.272 -6.411 -1.384 1.00 0.00 O ATOM 1349 CB THR A 86 12.552 -7.126 -3.872 1.00 0.00 C ATOM 1350 OG1 THR A 86 12.001 -6.720 -5.128 1.00 0.00 O ATOM 1351 CG2 THR A 86 12.041 -8.542 -3.519 1.00 0.00 C ATOM 0 H THR A 86 12.506 -6.990 -0.894 1.00 0.00 H new ATOM 0 HA THR A 86 12.525 -5.080 -3.129 1.00 0.00 H new ATOM 0 HB THR A 86 13.639 -7.179 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.212 -7.391 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.296 -9.232 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.508 -8.877 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.959 -8.517 -3.392 1.00 0.00 H new ATOM 1359 N LEU A 87 9.913 -5.471 -3.436 1.00 0.00 N ATOM 1360 CA LEU A 87 8.432 -5.431 -3.352 1.00 0.00 C ATOM 1361 C LEU A 87 7.834 -6.852 -3.243 1.00 0.00 C ATOM 1362 O LEU A 87 6.815 -7.029 -2.594 1.00 0.00 O ATOM 1363 CB LEU A 87 7.815 -4.687 -4.580 1.00 0.00 C ATOM 1364 CG LEU A 87 8.104 -3.147 -4.671 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.670 -2.564 -6.039 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.433 -2.376 -3.503 1.00 0.00 C ATOM 0 H LEU A 87 10.282 -5.057 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 87 8.178 -4.879 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.186 -5.160 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.735 -4.833 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 87 9.183 -3.017 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.886 -1.496 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.218 -3.064 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.601 -2.721 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.653 -1.312 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.354 -2.528 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.820 -2.745 -2.553 1.00 0.00 H new ATOM 1378 N GLY A 88 8.487 -7.852 -3.877 1.00 0.00 N ATOM 1379 CA GLY A 88 8.113 -9.275 -3.717 1.00 0.00 C ATOM 1380 C GLY A 88 8.032 -9.722 -2.250 1.00 0.00 C ATOM 1381 O GLY A 88 7.088 -10.417 -1.855 1.00 0.00 O ATOM 0 H GLY A 88 9.276 -7.699 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.148 -9.446 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.842 -9.896 -4.239 1.00 0.00 H new ATOM 1385 N GLU A 89 9.003 -9.257 -1.447 1.00 0.00 N ATOM 1386 CA GLU A 89 9.023 -9.456 0.013 1.00 0.00 C ATOM 1387 C GLU A 89 7.847 -8.713 0.697 1.00 0.00 C ATOM 1388 O GLU A 89 7.195 -9.256 1.595 1.00 0.00 O ATOM 1389 CB GLU A 89 10.367 -8.930 0.572 1.00 0.00 C ATOM 1390 CG GLU A 89 11.616 -9.712 0.116 1.00 0.00 C ATOM 1391 CD GLU A 89 11.699 -11.123 0.722 1.00 0.00 C ATOM 1392 OE1 GLU A 89 11.887 -11.233 1.952 1.00 0.00 O ATOM 1393 OE2 GLU A 89 11.590 -12.122 -0.019 1.00 0.00 O ATOM 0 H GLU A 89 9.803 -8.728 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 89 8.916 -10.520 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.482 -7.887 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.322 -8.950 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.612 -9.790 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.509 -9.151 0.392 1.00 0.00 H new ATOM 1400 N LEU A 90 7.577 -7.484 0.223 1.00 0.00 N ATOM 1401 CA LEU A 90 6.577 -6.572 0.806 1.00 0.00 C ATOM 1402 C LEU A 90 5.149 -7.115 0.595 1.00 0.00 C ATOM 1403 O LEU A 90 4.332 -7.105 1.518 1.00 0.00 O ATOM 1404 CB LEU A 90 6.769 -5.161 0.152 1.00 0.00 C ATOM 1405 CG LEU A 90 5.999 -3.932 0.763 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.658 -2.617 0.308 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.492 -3.903 0.386 1.00 0.00 C ATOM 0 H LEU A 90 8.054 -7.091 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 90 6.719 -6.492 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.834 -4.928 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.483 -5.241 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 90 6.061 -4.039 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.118 -1.772 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.694 -2.594 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.629 -2.553 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.020 -3.031 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.389 -3.849 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.008 -4.809 0.752 1.00 0.00 H new ATOM 1419 N ILE A 91 4.888 -7.679 -0.596 1.00 0.00 N ATOM 1420 CA ILE A 91 3.516 -7.981 -1.050 1.00 0.00 C ATOM 1421 C ILE A 91 3.109 -9.364 -0.512 1.00 0.00 C ATOM 1422 O ILE A 91 1.991 -9.546 -0.007 1.00 0.00 O ATOM 1423 CB ILE A 91 3.409 -7.942 -2.627 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.777 -6.526 -3.196 1.00 0.00 C ATOM 1425 CG2 ILE A 91 2.006 -8.381 -3.131 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.855 -5.387 -2.781 1.00 0.00 C ATOM 0 H ILE A 91 5.612 -7.937 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 91 2.838 -7.220 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 91 4.136 -8.662 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.791 -6.281 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.786 -6.583 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.981 -8.338 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.804 -9.401 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.248 -7.712 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.202 -4.456 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.841 -5.598 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.862 -5.291 -1.695 1.00 0.00 H new ATOM 1438 N GLY A 92 4.063 -10.312 -0.584 1.00 0.00 N ATOM 1439 CA GLY A 92 3.842 -11.683 -0.141 1.00 0.00 C ATOM 1440 C GLY A 92 3.713 -11.800 1.374 1.00 0.00 C ATOM 1441 O GLY A 92 2.956 -12.631 1.871 1.00 0.00 O ATOM 0 H GLY A 92 5.000 -10.141 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.937 -12.070 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.668 -12.307 -0.480 1.00 0.00 H new ATOM 1445 N LEU A 93 4.475 -10.968 2.119 1.00 0.00 N ATOM 1446 CA LEU A 93 4.397 -10.938 3.586 1.00 0.00 C ATOM 1447 C LEU A 93 3.154 -10.170 4.050 1.00 0.00 C ATOM 1448 O LEU A 93 2.479 -10.604 4.984 1.00 0.00 O ATOM 1449 CB LEU A 93 5.683 -10.330 4.206 1.00 0.00 C ATOM 1450 CG LEU A 93 5.740 -10.286 5.772 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.435 -11.660 6.407 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.102 -9.765 6.253 1.00 0.00 C ATOM 0 H LEU A 93 5.148 -10.312 1.723 1.00 0.00 H new ATOM 0 HA LEU A 93 4.313 -11.967 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.540 -10.901 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.798 -9.313 3.830 1.00 0.00 H new ATOM 0 HG LEU A 93 4.962 -9.596 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.487 -11.579 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.436 -11.982 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.167 -12.390 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.119 -9.743 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.892 -10.423 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.263 -8.758 5.867 1.00 0.00 H new ATOM 1464 N TYR A 94 2.825 -9.037 3.394 1.00 0.00 N ATOM 1465 CA TYR A 94 1.637 -8.232 3.769 1.00 0.00 C ATOM 1466 C TYR A 94 0.341 -8.816 3.180 1.00 0.00 C ATOM 1467 O TYR A 94 -0.731 -8.244 3.371 1.00 0.00 O ATOM 1468 CB TYR A 94 1.819 -6.740 3.391 1.00 0.00 C ATOM 1469 CG TYR A 94 2.858 -5.963 4.223 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.454 -6.502 5.377 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.222 -4.666 3.864 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.360 -5.777 6.123 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.131 -3.948 4.605 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.694 -4.505 5.733 1.00 0.00 C ATOM 1475 OH TYR A 94 5.598 -3.777 6.479 1.00 0.00 O ATOM 0 H TYR A 94 3.357 -8.660 2.610 1.00 0.00 H new ATOM 0 HA TYR A 94 1.543 -8.282 4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.105 -6.682 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.856 -6.239 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.197 -7.505 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.781 -4.216 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.803 -6.208 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.404 -2.948 4.303 1.00 0.00 H new ATOM 0 HH TYR A 94 6.507 -4.092 6.291 1.00 0.00 H new ATOM 1485 N ALA A 95 0.448 -9.983 2.511 1.00 0.00 N ATOM 1486 CA ALA A 95 -0.705 -10.861 2.191 1.00 0.00 C ATOM 1487 C ALA A 95 -1.381 -11.446 3.465 1.00 0.00 C ATOM 1488 O ALA A 95 -2.402 -12.137 3.369 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.228 -11.995 1.276 1.00 0.00 C ATOM 0 H ALA A 95 1.339 -10.347 2.175 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.459 -10.257 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.068 -12.646 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.180 -11.574 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.544 -12.572 1.784 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.801 -11.160 4.645 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.397 -11.474 5.949 1.00 0.00 C ATOM 1497 C GLN A 96 -1.463 -10.167 6.773 1.00 0.00 C ATOM 1498 O GLN A 96 -0.579 -9.306 6.637 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.612 -12.591 6.700 1.00 0.00 C ATOM 1500 CG GLN A 96 0.810 -12.219 7.143 1.00 0.00 C ATOM 1501 CD GLN A 96 1.499 -13.339 7.916 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.422 -13.403 9.143 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.148 -14.247 7.206 1.00 0.00 N ATOM 0 H GLN A 96 0.106 -10.699 4.717 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.402 -11.870 5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.183 -12.882 7.581 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.555 -13.467 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.406 -11.970 6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.770 -11.325 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.192 -14.164 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.604 -15.030 7.674 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.530 -9.973 7.603 1.00 0.00 N ATOM 1513 CA PRO A 97 -2.694 -8.768 8.450 1.00 0.00 C ATOM 1514 C PRO A 97 -1.932 -8.885 9.800 1.00 0.00 C ATOM 1515 O PRO A 97 -0.926 -9.606 9.892 1.00 0.00 O ATOM 1516 CB PRO A 97 -4.236 -8.739 8.625 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.617 -10.184 8.713 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.678 -10.910 7.770 1.00 0.00 C ATOM 0 HA PRO A 97 -2.282 -7.855 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.526 -8.194 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.724 -8.248 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.514 -10.555 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.657 -10.334 8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.356 -11.865 8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.159 -11.124 6.816 1.00 0.00 H new ATOM 1526 N ASN A 98 -2.432 -8.144 10.820 1.00 0.00 N ATOM 1527 CA ASN A 98 -1.878 -8.120 12.194 1.00 0.00 C ATOM 1528 C ASN A 98 -0.430 -7.568 12.173 1.00 0.00 C ATOM 1529 O ASN A 98 0.519 -8.242 12.578 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.002 -9.541 12.853 1.00 0.00 C ATOM 1531 CG ASN A 98 -1.584 -9.612 14.328 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -2.386 -9.373 15.228 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -0.334 -9.968 14.582 1.00 0.00 N ATOM 0 H ASN A 98 -3.244 -7.537 10.708 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.457 -7.442 12.821 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.036 -9.875 12.768 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.392 -10.243 12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.013 -10.050 15.547 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.308 -10.160 13.813 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.283 -6.327 11.643 1.00 0.00 N ATOM 1541 CA GLN A 99 1.024 -5.623 11.578 1.00 0.00 C ATOM 1542 C GLN A 99 0.833 -4.144 11.145 1.00 0.00 C ATOM 1543 O GLN A 99 1.691 -3.552 10.487 1.00 0.00 O ATOM 1544 CB GLN A 99 2.027 -6.386 10.637 1.00 0.00 C ATOM 1545 CG GLN A 99 3.492 -5.880 10.711 1.00 0.00 C ATOM 1546 CD GLN A 99 4.533 -6.733 9.985 1.00 0.00 C ATOM 1547 OE1 GLN A 99 5.690 -6.752 10.386 1.00 0.00 O ATOM 1548 NE2 GLN A 99 4.150 -7.425 8.918 1.00 0.00 N ATOM 0 H GLN A 99 -1.058 -5.791 11.253 1.00 0.00 H new ATOM 0 HA GLN A 99 1.461 -5.615 12.576 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.009 -7.446 10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.678 -6.299 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.528 -4.871 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.778 -5.808 11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.179 -7.389 8.608 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.827 -7.993 8.408 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.307 -3.531 11.501 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.510 -2.089 11.252 1.00 0.00 C ATOM 1559 C GLY A 100 -1.115 -1.814 9.874 1.00 0.00 C ATOM 1560 O GLY A 100 -1.483 -0.679 9.563 1.00 0.00 O ATOM 0 H GLY A 100 -1.092 -3.999 11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.164 -1.679 12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.445 -1.571 11.336 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.164 -2.866 9.035 1.00 0.00 N ATOM 1565 CA LEU A 101 -1.925 -2.874 7.779 1.00 0.00 C ATOM 1566 C LEU A 101 -3.423 -2.894 8.120 1.00 0.00 C ATOM 1567 O LEU A 101 -3.850 -3.689 8.958 1.00 0.00 O ATOM 1568 CB LEU A 101 -1.551 -4.123 6.895 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.154 -4.130 6.188 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.027 -2.975 5.175 1.00 0.00 C ATOM 1571 CD2 LEU A 101 1.011 -4.137 7.202 1.00 0.00 C ATOM 0 H LEU A 101 -0.671 -3.740 9.215 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.680 -1.981 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.610 -5.009 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.316 -4.229 6.125 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.085 -5.062 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.955 -3.011 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.800 -3.073 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.147 -2.023 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.960 -4.142 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.953 -3.247 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.943 -5.027 7.828 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.197 -1.999 7.491 1.00 0.00 N ATOM 1584 CA VAL A 102 -5.655 -1.913 7.657 1.00 0.00 C ATOM 1585 C VAL A 102 -6.345 -3.235 7.233 1.00 0.00 C ATOM 1586 O VAL A 102 -7.363 -3.635 7.802 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.205 -0.701 6.820 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.011 -0.916 5.293 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.670 -0.388 7.175 1.00 0.00 C ATOM 0 H VAL A 102 -3.823 -1.305 6.844 1.00 0.00 H new ATOM 0 HA VAL A 102 -5.881 -1.752 8.711 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.614 0.174 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.404 -0.056 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -4.949 -1.028 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.543 -1.815 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.017 0.455 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.289 -1.260 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.742 -0.137 8.233 1.00 0.00 H new ATOM 1599 N CYS A 103 -5.736 -3.905 6.251 1.00 0.00 N ATOM 1600 CA CYS A 103 -6.173 -5.204 5.738 1.00 0.00 C ATOM 1601 C CYS A 103 -5.002 -5.868 5.009 1.00 0.00 C ATOM 1602 O CYS A 103 -4.000 -5.203 4.699 1.00 0.00 O ATOM 1603 CB CYS A 103 -7.375 -5.036 4.782 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.027 -4.035 3.319 1.00 0.00 S ATOM 0 H CYS A 103 -4.904 -3.549 5.780 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.492 -5.832 6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.710 -6.022 4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.200 -4.582 5.331 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.221 -4.748 2.249 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.129 -7.172 4.742 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.146 -7.919 3.947 1.00 0.00 C ATOM 1612 C ALA A 104 -4.214 -7.482 2.471 1.00 0.00 C ATOM 1613 O ALA A 104 -5.268 -7.033 1.987 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.408 -9.421 4.096 1.00 0.00 C ATOM 0 H ALA A 104 -5.912 -7.738 5.069 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.141 -7.705 4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.679 -9.978 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.318 -9.704 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.413 -9.652 3.743 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.078 -7.573 1.769 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.012 -7.287 0.334 1.00 0.00 C ATOM 1622 C LEU A 105 -3.684 -8.444 -0.429 1.00 0.00 C ATOM 1623 O LEU A 105 -3.074 -9.494 -0.662 1.00 0.00 O ATOM 1624 CB LEU A 105 -1.540 -7.062 -0.103 1.00 0.00 C ATOM 1625 CG LEU A 105 -0.786 -5.905 0.641 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.635 -5.720 0.091 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.585 -4.577 0.617 1.00 0.00 C ATOM 0 H LEU A 105 -2.184 -7.845 2.178 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.548 -6.367 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.988 -7.989 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.524 -6.854 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.699 -6.201 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.130 -4.911 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.200 -6.643 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.585 -5.475 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.024 -3.805 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.746 -4.268 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.548 -4.723 1.106 1.00 0.00 H new ATOM 1639 N LEU A 106 -4.969 -8.240 -0.752 1.00 0.00 N ATOM 1640 CA LEU A 106 -5.863 -9.282 -1.279 1.00 0.00 C ATOM 1641 C LEU A 106 -6.384 -8.896 -2.673 1.00 0.00 C ATOM 1642 O LEU A 106 -6.118 -9.589 -3.657 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.040 -9.499 -0.281 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.123 -10.560 -0.673 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -7.499 -11.953 -0.909 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -9.243 -10.616 0.391 1.00 0.00 C ATOM 0 H LEU A 106 -5.424 -7.332 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.310 -10.215 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.618 -9.787 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.541 -8.542 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.569 -10.247 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.282 -12.661 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.770 -11.893 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.004 -12.289 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.985 -11.359 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.815 -10.889 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.720 -9.639 0.469 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.110 -7.772 -2.743 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.810 -7.341 -3.967 1.00 0.00 C ATOM 1660 C LEU A 107 -6.986 -6.251 -4.684 1.00 0.00 C ATOM 1661 O LEU A 107 -6.664 -5.245 -4.062 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.225 -6.809 -3.599 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.156 -6.432 -4.795 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.459 -7.651 -5.699 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.458 -5.773 -4.297 1.00 0.00 C ATOM 0 H LEU A 107 -7.230 -7.135 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.921 -8.189 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.729 -7.566 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.106 -5.928 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.619 -5.705 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.110 -7.344 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.527 -8.044 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.955 -8.425 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.088 -5.521 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.990 -6.466 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.218 -4.866 -3.743 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.611 -6.439 -5.999 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.958 -5.367 -6.805 1.00 0.00 C ATOM 1679 C PRO A 108 -6.853 -4.114 -6.898 1.00 0.00 C ATOM 1680 O PRO A 108 -6.403 -3.003 -6.628 1.00 0.00 O ATOM 1681 CB PRO A 108 -5.728 -6.029 -8.197 1.00 0.00 C ATOM 1682 CG PRO A 108 -6.665 -7.203 -8.223 1.00 0.00 C ATOM 1683 CD PRO A 108 -6.771 -7.687 -6.793 1.00 0.00 C ATOM 0 HA PRO A 108 -5.027 -5.013 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -5.944 -5.332 -9.007 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.692 -6.347 -8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -7.642 -6.913 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.285 -7.991 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -7.731 -8.167 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.997 -8.417 -6.556 1.00 0.00 H new ATOM 1691 N VAL A 109 -8.133 -4.338 -7.219 1.00 0.00 N ATOM 1692 CA VAL A 109 -9.138 -3.276 -7.323 1.00 0.00 C ATOM 1693 C VAL A 109 -10.528 -3.927 -7.509 1.00 0.00 C ATOM 1694 O VAL A 109 -11.505 -3.447 -6.905 1.00 0.00 O ATOM 1695 CB VAL A 109 -8.802 -2.193 -8.461 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -9.482 -2.462 -9.827 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -9.071 -0.756 -7.960 1.00 0.00 C ATOM 1698 OXT VAL A 109 -10.616 -4.971 -8.198 1.00 0.00 O ATOM 0 H VAL A 109 -8.502 -5.269 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.133 -2.700 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.735 -2.300 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.199 -1.682 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.161 -3.431 -10.209 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.565 -2.462 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.835 -0.045 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.121 -0.657 -7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.447 -0.551 -7.090 1.00 0.00 H new TER 1708 VAL A 109