USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 843 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 16 GLN : amide:sc= 0.844 K(o=2,f=-4.3) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 18 THR OG1 : rot -96:sc= 0.982 USER MOD Set 2.2: A 23 SER OG : rot 70:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0458 (180deg=-0.0388) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 11 MET CE :methyl -146:sc= 0 (180deg=-0.0917) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 29:sc= 0.0999 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.109 K(o=-0.11,f=-5.2!) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.0263 (180deg=-0.567) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -122:sc= -0.425 (180deg=-0.762) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 49 SER OG : rot -23:sc= -1.48! USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.468 (180deg=0.142) USER MOD Single : A 63 SER OG : rot 180:sc= -0.171 USER MOD Single : A 70 SER OG : rot -66:sc= 0.178 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.766 (180deg=0.76) USER MOD Single : A 77 ASN : amide:sc= -0.32 K(o=-0.32,f=-4.6!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot -110:sc= 0.347 USER MOD Single : A 92 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 94 MET CE :methyl -141:sc= -0.414 (180deg=-0.739) USER MOD Single : A 99 SER OG : rot 72:sc= 1.03 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00337 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.555 -28.212 3.214 1.00 33.31 N ATOM 2 CA MET A 1 12.252 -26.927 3.480 1.00 15.34 C ATOM 3 C MET A 1 11.318 -25.743 3.210 1.00 25.51 C ATOM 4 O MET A 1 10.341 -25.877 2.464 1.00 24.44 O ATOM 5 CB MET A 1 13.537 -26.811 2.616 1.00 54.33 C ATOM 6 CG MET A 1 14.559 -27.933 2.843 1.00 13.30 C ATOM 7 SD MET A 1 15.097 -28.052 4.562 1.00 1.41 S ATOM 8 CE MET A 1 16.318 -29.367 4.471 1.00 61.14 C ATOM 0 H1 MET A 1 11.637 -28.830 4.046 1.00 33.31 H new ATOM 0 H2 MET A 1 10.551 -28.028 3.017 1.00 33.31 H new ATOM 0 H3 MET A 1 11.989 -28.679 2.392 1.00 33.31 H new ATOM 0 HA MET A 1 12.541 -26.907 4.531 1.00 15.34 H new ATOM 0 HB2 MET A 1 13.253 -26.803 1.564 1.00 54.33 H new ATOM 0 HB3 MET A 1 14.015 -25.854 2.824 1.00 54.33 H new ATOM 0 HG2 MET A 1 14.122 -28.884 2.537 1.00 13.30 H new ATOM 0 HG3 MET A 1 15.427 -27.762 2.206 1.00 13.30 H new ATOM 0 HE1 MET A 1 16.734 -29.547 5.462 1.00 61.14 H new ATOM 0 HE2 MET A 1 15.845 -30.278 4.105 1.00 61.14 H new ATOM 0 HE3 MET A 1 17.117 -29.075 3.790 1.00 61.14 H new ATOM 20 N GLY A 2 11.655 -24.575 3.809 1.00 75.00 N ATOM 21 CA GLY A 2 10.815 -23.374 3.727 1.00 41.14 C ATOM 22 C GLY A 2 9.525 -23.511 4.522 1.00 64.12 C ATOM 23 O GLY A 2 8.506 -22.892 4.180 1.00 2.30 O ATOM 0 H GLY A 2 12.508 -24.448 4.354 1.00 75.00 H new ATOM 0 HA2 GLY A 2 11.376 -22.516 4.096 1.00 41.14 H new ATOM 0 HA3 GLY A 2 10.575 -23.173 2.683 1.00 41.14 H new ATOM 27 N HIS A 3 9.580 -24.327 5.596 1.00 32.23 N ATOM 28 CA HIS A 3 8.395 -24.709 6.368 1.00 30.14 C ATOM 29 C HIS A 3 8.042 -23.613 7.377 1.00 53.15 C ATOM 30 O HIS A 3 8.540 -23.598 8.511 1.00 53.44 O ATOM 31 CB HIS A 3 8.618 -26.074 7.072 1.00 64.45 C ATOM 32 CG HIS A 3 7.374 -26.680 7.678 1.00 41.03 C ATOM 33 ND1 HIS A 3 6.579 -27.570 6.991 1.00 54.45 N ATOM 34 CD2 HIS A 3 6.793 -26.535 8.899 1.00 53.14 C ATOM 35 CE1 HIS A 3 5.573 -27.944 7.752 1.00 44.34 C ATOM 36 NE2 HIS A 3 5.679 -27.332 8.912 1.00 62.03 N ATOM 0 H HIS A 3 10.447 -24.734 5.945 1.00 32.23 H new ATOM 0 HA HIS A 3 7.553 -24.822 5.685 1.00 30.14 H new ATOM 0 HB2 HIS A 3 9.034 -26.777 6.350 1.00 64.45 H new ATOM 0 HB3 HIS A 3 9.363 -25.946 7.857 1.00 64.45 H new ATOM 0 HD2 HIS A 3 7.144 -25.909 9.706 1.00 53.14 H new ATOM 0 HE1 HIS A 3 4.793 -28.636 7.472 1.00 44.34 H new ATOM 0 HE2 HIS A 3 5.034 -27.435 9.696 1.00 62.03 H new ATOM 45 N HIS A 4 7.221 -22.662 6.925 1.00 3.20 N ATOM 46 CA HIS A 4 6.595 -21.676 7.808 1.00 71.35 C ATOM 47 C HIS A 4 5.428 -22.352 8.534 1.00 74.44 C ATOM 48 O HIS A 4 4.786 -23.245 7.966 1.00 3.14 O ATOM 49 CB HIS A 4 6.082 -20.458 7.002 1.00 15.34 C ATOM 50 CG HIS A 4 7.152 -19.753 6.210 1.00 42.22 C ATOM 51 ND1 HIS A 4 7.367 -19.986 4.869 1.00 74.21 N ATOM 52 CD2 HIS A 4 8.064 -18.815 6.571 1.00 73.03 C ATOM 53 CE1 HIS A 4 8.357 -19.234 4.443 1.00 2.34 C ATOM 54 NE2 HIS A 4 8.796 -18.514 5.451 1.00 15.42 N ATOM 0 H HIS A 4 6.973 -22.554 5.942 1.00 3.20 H new ATOM 0 HA HIS A 4 7.331 -21.314 8.526 1.00 71.35 H new ATOM 0 HB2 HIS A 4 5.299 -20.790 6.320 1.00 15.34 H new ATOM 0 HB3 HIS A 4 5.625 -19.746 7.690 1.00 15.34 H new ATOM 0 HD2 HIS A 4 8.190 -18.387 7.554 1.00 73.03 H new ATOM 0 HE1 HIS A 4 8.744 -19.211 3.435 1.00 2.34 H new ATOM 0 HE2 HIS A 4 9.559 -17.839 5.407 1.00 15.42 H new ATOM 63 N HIS A 5 5.174 -21.938 9.781 1.00 72.24 N ATOM 64 CA HIS A 5 4.008 -22.398 10.553 1.00 32.43 C ATOM 65 C HIS A 5 2.714 -21.989 9.830 1.00 71.14 C ATOM 66 O HIS A 5 1.804 -22.808 9.679 1.00 73.44 O ATOM 67 CB HIS A 5 4.056 -21.828 11.995 1.00 1.32 C ATOM 68 CG HIS A 5 5.239 -22.319 12.794 1.00 41.44 C ATOM 69 ND1 HIS A 5 6.433 -21.636 12.873 1.00 15.11 N ATOM 70 CD2 HIS A 5 5.411 -23.447 13.532 1.00 51.32 C ATOM 71 CE1 HIS A 5 7.281 -22.321 13.612 1.00 12.13 C ATOM 72 NE2 HIS A 5 6.687 -23.418 14.024 1.00 61.44 N ATOM 0 H HIS A 5 5.767 -21.277 10.284 1.00 72.24 H new ATOM 0 HA HIS A 5 4.029 -23.485 10.628 1.00 32.43 H new ATOM 0 HB2 HIS A 5 4.086 -20.739 11.947 1.00 1.32 H new ATOM 0 HB3 HIS A 5 3.138 -22.099 12.516 1.00 1.32 H new ATOM 0 HD2 HIS A 5 4.677 -24.222 13.699 1.00 51.32 H new ATOM 0 HE1 HIS A 5 8.295 -22.030 13.841 1.00 12.13 H new ATOM 0 HE2 HIS A 5 7.110 -24.133 14.616 1.00 61.44 H new ATOM 81 N HIS A 6 2.690 -20.722 9.363 1.00 2.22 N ATOM 82 CA HIS A 6 1.620 -20.154 8.517 1.00 11.14 C ATOM 83 C HIS A 6 0.226 -20.342 9.159 1.00 4.41 C ATOM 84 O HIS A 6 -0.532 -21.265 8.818 1.00 33.23 O ATOM 85 CB HIS A 6 1.677 -20.720 7.063 1.00 14.22 C ATOM 86 CG HIS A 6 0.657 -20.120 6.128 1.00 53.11 C ATOM 87 ND1 HIS A 6 -0.567 -20.702 5.888 1.00 54.43 N ATOM 88 CD2 HIS A 6 0.674 -18.988 5.381 1.00 0.02 C ATOM 89 CE1 HIS A 6 -1.251 -19.965 5.049 1.00 5.32 C ATOM 90 NE2 HIS A 6 -0.526 -18.919 4.723 1.00 63.32 N ATOM 0 H HIS A 6 3.431 -20.052 9.569 1.00 2.22 H new ATOM 0 HA HIS A 6 1.794 -19.080 8.447 1.00 11.14 H new ATOM 0 HB2 HIS A 6 2.673 -20.547 6.656 1.00 14.22 H new ATOM 0 HB3 HIS A 6 1.531 -21.800 7.099 1.00 14.22 H new ATOM 0 HD2 HIS A 6 1.482 -18.274 5.317 1.00 0.02 H new ATOM 0 HE1 HIS A 6 -2.245 -20.181 4.686 1.00 5.32 H new ATOM 0 HE2 HIS A 6 -0.810 -18.176 4.084 1.00 63.32 H new ATOM 99 N HIS A 7 -0.062 -19.483 10.138 1.00 31.13 N ATOM 100 CA HIS A 7 -1.361 -19.432 10.826 1.00 21.25 C ATOM 101 C HIS A 7 -1.661 -17.988 11.219 1.00 61.12 C ATOM 102 O HIS A 7 -0.733 -17.159 11.297 1.00 2.55 O ATOM 103 CB HIS A 7 -1.367 -20.352 12.081 1.00 63.20 C ATOM 104 CG HIS A 7 -0.451 -19.910 13.207 1.00 3.12 C ATOM 105 ND1 HIS A 7 -0.909 -19.305 14.363 1.00 11.15 N ATOM 106 CD2 HIS A 7 0.897 -19.998 13.353 1.00 43.34 C ATOM 107 CE1 HIS A 7 0.109 -19.046 15.159 1.00 23.21 C ATOM 108 NE2 HIS A 7 1.211 -19.454 14.570 1.00 4.25 N ATOM 0 H HIS A 7 0.606 -18.793 10.482 1.00 31.13 H new ATOM 0 HA HIS A 7 -2.135 -19.795 10.150 1.00 21.25 H new ATOM 0 HB2 HIS A 7 -2.386 -20.411 12.464 1.00 63.20 H new ATOM 0 HB3 HIS A 7 -1.082 -21.359 11.776 1.00 63.20 H new ATOM 0 HD2 HIS A 7 1.592 -20.419 12.641 1.00 43.34 H new ATOM 0 HE1 HIS A 7 0.048 -18.578 16.130 1.00 23.21 H new ATOM 0 HE2 HIS A 7 2.151 -19.378 14.958 1.00 4.25 H new ATOM 117 N HIS A 8 -2.948 -17.680 11.461 1.00 32.01 N ATOM 118 CA HIS A 8 -3.353 -16.332 11.878 1.00 30.20 C ATOM 119 C HIS A 8 -2.838 -16.053 13.305 1.00 71.22 C ATOM 120 O HIS A 8 -2.895 -16.924 14.185 1.00 15.32 O ATOM 121 CB HIS A 8 -4.889 -16.124 11.770 1.00 73.21 C ATOM 122 CG HIS A 8 -5.710 -16.864 12.795 1.00 11.43 C ATOM 123 ND1 HIS A 8 -6.104 -16.302 13.991 1.00 51.42 N ATOM 124 CD2 HIS A 8 -6.224 -18.110 12.788 1.00 31.13 C ATOM 125 CE1 HIS A 8 -6.815 -17.172 14.672 1.00 14.43 C ATOM 126 NE2 HIS A 8 -6.903 -18.274 13.964 1.00 32.44 N ATOM 0 H HIS A 8 -3.718 -18.343 11.375 1.00 32.01 H new ATOM 0 HA HIS A 8 -2.901 -15.612 11.196 1.00 30.20 H new ATOM 0 HB2 HIS A 8 -5.102 -15.059 11.857 1.00 73.21 H new ATOM 0 HB3 HIS A 8 -5.213 -16.434 10.776 1.00 73.21 H new ATOM 0 HD2 HIS A 8 -6.119 -18.842 12.001 1.00 31.13 H new ATOM 0 HE1 HIS A 8 -7.252 -17.009 15.646 1.00 14.43 H new ATOM 0 HE2 HIS A 8 -7.399 -19.119 14.246 1.00 32.44 H new ATOM 135 N SER A 9 -2.296 -14.855 13.492 1.00 71.43 N ATOM 136 CA SER A 9 -1.730 -14.388 14.768 1.00 72.23 C ATOM 137 C SER A 9 -2.263 -12.966 15.020 1.00 4.52 C ATOM 138 O SER A 9 -3.216 -12.549 14.347 1.00 41.30 O ATOM 139 CB SER A 9 -0.179 -14.431 14.659 1.00 51.03 C ATOM 140 OG SER A 9 0.463 -14.104 15.880 1.00 10.01 O ATOM 0 H SER A 9 -2.233 -14.160 12.748 1.00 71.43 H new ATOM 0 HA SER A 9 -2.020 -15.018 15.609 1.00 72.23 H new ATOM 0 HB2 SER A 9 0.132 -15.427 14.345 1.00 51.03 H new ATOM 0 HB3 SER A 9 0.146 -13.737 13.884 1.00 51.03 H new ATOM 0 HG SER A 9 1.435 -14.147 15.760 1.00 10.01 H new ATOM 146 N HIS A 10 -1.697 -12.227 15.986 1.00 25.15 N ATOM 147 CA HIS A 10 -1.992 -10.791 16.131 1.00 53.23 C ATOM 148 C HIS A 10 -1.239 -10.021 15.026 1.00 43.21 C ATOM 149 O HIS A 10 -0.147 -9.485 15.239 1.00 24.35 O ATOM 150 CB HIS A 10 -1.648 -10.281 17.554 1.00 55.42 C ATOM 151 CG HIS A 10 -2.545 -10.840 18.635 1.00 25.22 C ATOM 152 ND1 HIS A 10 -2.084 -11.574 19.708 1.00 53.54 N ATOM 153 CD2 HIS A 10 -3.888 -10.756 18.807 1.00 40.54 C ATOM 154 CE1 HIS A 10 -3.095 -11.905 20.483 1.00 33.00 C ATOM 155 NE2 HIS A 10 -4.200 -11.426 19.961 1.00 41.35 N ATOM 0 H HIS A 10 -1.038 -12.594 16.673 1.00 25.15 H new ATOM 0 HA HIS A 10 -3.061 -10.619 16.010 1.00 53.23 H new ATOM 0 HB2 HIS A 10 -0.614 -10.540 17.783 1.00 55.42 H new ATOM 0 HB3 HIS A 10 -1.714 -9.193 17.566 1.00 55.42 H new ATOM 0 HD2 HIS A 10 -4.585 -10.253 18.153 1.00 40.54 H new ATOM 0 HE1 HIS A 10 -3.027 -12.476 21.397 1.00 33.00 H new ATOM 0 HE2 HIS A 10 -5.137 -11.535 20.350 1.00 41.35 H new ATOM 164 N MET A 11 -1.822 -10.066 13.813 1.00 54.24 N ATOM 165 CA MET A 11 -1.274 -9.442 12.607 1.00 61.12 C ATOM 166 C MET A 11 -1.518 -7.930 12.677 1.00 3.44 C ATOM 167 O MET A 11 -2.637 -7.450 12.462 1.00 22.11 O ATOM 168 CB MET A 11 -1.919 -10.107 11.350 1.00 15.10 C ATOM 169 CG MET A 11 -1.495 -9.545 9.972 1.00 52.35 C ATOM 170 SD MET A 11 -2.328 -7.995 9.539 1.00 35.00 S ATOM 171 CE MET A 11 -1.841 -7.773 7.827 1.00 42.22 C ATOM 0 H MET A 11 -2.705 -10.549 13.647 1.00 54.24 H new ATOM 0 HA MET A 11 -0.197 -9.595 12.534 1.00 61.12 H new ATOM 0 HB2 MET A 11 -1.685 -11.171 11.370 1.00 15.10 H new ATOM 0 HB3 MET A 11 -3.002 -10.017 11.436 1.00 15.10 H new ATOM 0 HG2 MET A 11 -0.417 -9.382 9.970 1.00 52.35 H new ATOM 0 HG3 MET A 11 -1.706 -10.289 9.204 1.00 52.35 H new ATOM 0 HE1 MET A 11 -1.730 -6.710 7.615 1.00 42.22 H new ATOM 0 HE2 MET A 11 -0.892 -8.279 7.650 1.00 42.22 H new ATOM 0 HE3 MET A 11 -2.605 -8.195 7.174 1.00 42.22 H new ATOM 181 N PHE A 12 -0.477 -7.207 13.089 1.00 3.23 N ATOM 182 CA PHE A 12 -0.475 -5.745 13.131 1.00 2.34 C ATOM 183 C PHE A 12 0.419 -5.221 12.005 1.00 63.11 C ATOM 184 O PHE A 12 1.434 -5.849 11.656 1.00 20.41 O ATOM 185 CB PHE A 12 0.003 -5.226 14.524 1.00 0.33 C ATOM 186 CG PHE A 12 1.452 -5.575 14.902 1.00 62.42 C ATOM 187 CD1 PHE A 12 1.774 -6.828 15.430 1.00 65.42 C ATOM 188 CD2 PHE A 12 2.493 -4.648 14.741 1.00 25.14 C ATOM 189 CE1 PHE A 12 3.076 -7.149 15.766 1.00 62.32 C ATOM 190 CE2 PHE A 12 3.796 -4.975 15.078 1.00 14.21 C ATOM 191 CZ PHE A 12 4.084 -6.224 15.597 1.00 41.34 C ATOM 0 H PHE A 12 0.398 -7.624 13.406 1.00 3.23 H new ATOM 0 HA PHE A 12 -1.490 -5.374 12.985 1.00 2.34 H new ATOM 0 HB2 PHE A 12 -0.108 -4.142 14.545 1.00 0.33 H new ATOM 0 HB3 PHE A 12 -0.660 -5.629 15.289 1.00 0.33 H new ATOM 0 HD1 PHE A 12 0.992 -7.558 15.578 1.00 65.42 H new ATOM 0 HD2 PHE A 12 2.275 -3.666 14.349 1.00 25.14 H new ATOM 0 HE1 PHE A 12 3.304 -8.127 16.162 1.00 62.32 H new ATOM 0 HE2 PHE A 12 4.587 -4.254 14.935 1.00 14.21 H new ATOM 0 HZ PHE A 12 5.098 -6.475 15.870 1.00 41.34 H new ATOM 201 N ILE A 13 0.025 -4.082 11.433 1.00 53.40 N ATOM 202 CA ILE A 13 0.786 -3.397 10.391 1.00 40.30 C ATOM 203 C ILE A 13 1.542 -2.234 11.049 1.00 50.44 C ATOM 204 O ILE A 13 0.920 -1.333 11.621 1.00 15.43 O ATOM 205 CB ILE A 13 -0.157 -2.878 9.242 1.00 40.31 C ATOM 206 CG1 ILE A 13 -1.034 -4.047 8.680 1.00 4.54 C ATOM 207 CG2 ILE A 13 0.657 -2.195 8.109 1.00 54.51 C ATOM 208 CD1 ILE A 13 -2.045 -3.637 7.626 1.00 73.31 C ATOM 0 H ILE A 13 -0.841 -3.605 11.684 1.00 53.40 H new ATOM 0 HA ILE A 13 1.489 -4.090 9.929 1.00 40.30 H new ATOM 0 HB ILE A 13 -0.822 -2.126 9.666 1.00 40.31 H new ATOM 0 HG12 ILE A 13 -0.375 -4.804 8.255 1.00 4.54 H new ATOM 0 HG13 ILE A 13 -1.565 -4.515 9.509 1.00 4.54 H new ATOM 0 HG21 ILE A 13 -0.023 -1.848 7.331 1.00 54.51 H new ATOM 0 HG22 ILE A 13 1.206 -1.346 8.516 1.00 54.51 H new ATOM 0 HG23 ILE A 13 1.360 -2.911 7.683 1.00 54.51 H new ATOM 0 HD11 ILE A 13 -2.604 -4.513 7.298 1.00 73.31 H new ATOM 0 HD12 ILE A 13 -2.733 -2.904 8.047 1.00 73.31 H new ATOM 0 HD13 ILE A 13 -1.525 -3.198 6.774 1.00 73.31 H new ATOM 220 N GLN A 14 2.879 -2.276 10.989 1.00 13.42 N ATOM 221 CA GLN A 14 3.752 -1.285 11.646 1.00 52.55 C ATOM 222 C GLN A 14 4.295 -0.312 10.596 1.00 31.52 C ATOM 223 O GLN A 14 4.374 -0.644 9.407 1.00 73.50 O ATOM 224 CB GLN A 14 4.901 -1.993 12.418 1.00 53.12 C ATOM 225 CG GLN A 14 5.819 -2.870 11.552 1.00 24.23 C ATOM 226 CD GLN A 14 6.907 -3.579 12.358 1.00 43.42 C ATOM 227 OE1 GLN A 14 6.705 -4.693 12.845 1.00 42.32 O ATOM 228 NE2 GLN A 14 8.064 -2.947 12.507 1.00 71.02 N ATOM 0 H GLN A 14 3.391 -2.999 10.483 1.00 13.42 H new ATOM 0 HA GLN A 14 3.174 -0.719 12.377 1.00 52.55 H new ATOM 0 HB2 GLN A 14 5.508 -1.235 12.912 1.00 53.12 H new ATOM 0 HB3 GLN A 14 4.465 -2.612 13.202 1.00 53.12 H new ATOM 0 HG2 GLN A 14 5.216 -3.615 11.033 1.00 24.23 H new ATOM 0 HG3 GLN A 14 6.287 -2.251 10.787 1.00 24.23 H new ATOM 0 HE21 GLN A 14 8.199 -2.026 12.091 1.00 71.02 H new ATOM 0 HE22 GLN A 14 8.818 -3.383 13.037 1.00 71.02 H new ATOM 237 N THR A 15 4.643 0.894 11.040 1.00 4.43 N ATOM 238 CA THR A 15 5.042 1.991 10.155 1.00 13.31 C ATOM 239 C THR A 15 6.528 2.320 10.331 1.00 64.01 C ATOM 240 O THR A 15 6.995 2.521 11.459 1.00 22.24 O ATOM 241 CB THR A 15 4.157 3.242 10.442 1.00 43.31 C ATOM 242 OG1 THR A 15 4.239 3.604 11.832 1.00 72.15 O ATOM 243 CG2 THR A 15 2.688 2.979 10.081 1.00 72.34 C ATOM 0 H THR A 15 4.657 1.141 12.030 1.00 4.43 H new ATOM 0 HA THR A 15 4.893 1.684 9.120 1.00 13.31 H new ATOM 0 HB THR A 15 4.532 4.058 9.824 1.00 43.31 H new ATOM 0 HG1 THR A 15 5.113 3.339 12.188 1.00 72.15 H new ATOM 0 HG21 THR A 15 2.096 3.870 10.292 1.00 72.34 H new ATOM 0 HG22 THR A 15 2.612 2.736 9.021 1.00 72.34 H new ATOM 0 HG23 THR A 15 2.312 2.145 10.673 1.00 72.34 H new ATOM 251 N GLN A 16 7.263 2.367 9.209 1.00 34.44 N ATOM 252 CA GLN A 16 8.700 2.647 9.191 1.00 51.20 C ATOM 253 C GLN A 16 8.948 3.931 8.396 1.00 20.23 C ATOM 254 O GLN A 16 8.362 4.131 7.323 1.00 24.04 O ATOM 255 CB GLN A 16 9.476 1.456 8.575 1.00 55.31 C ATOM 256 CG GLN A 16 11.011 1.607 8.614 1.00 51.42 C ATOM 257 CD GLN A 16 11.749 0.363 8.106 1.00 71.13 C ATOM 258 OE1 GLN A 16 12.044 0.235 6.919 1.00 74.32 O ATOM 259 NE2 GLN A 16 12.042 -0.566 8.996 1.00 33.41 N ATOM 0 H GLN A 16 6.869 2.210 8.282 1.00 34.44 H new ATOM 0 HA GLN A 16 9.059 2.783 10.211 1.00 51.20 H new ATOM 0 HB2 GLN A 16 9.199 0.545 9.105 1.00 55.31 H new ATOM 0 HB3 GLN A 16 9.162 1.330 7.539 1.00 55.31 H new ATOM 0 HG2 GLN A 16 11.301 2.467 8.010 1.00 51.42 H new ATOM 0 HG3 GLN A 16 11.324 1.816 9.637 1.00 51.42 H new ATOM 0 HE21 GLN A 16 11.786 -0.434 9.974 1.00 33.41 H new ATOM 0 HE22 GLN A 16 12.525 -1.416 8.706 1.00 33.41 H new ATOM 268 N ASP A 17 9.830 4.774 8.932 1.00 42.25 N ATOM 269 CA ASP A 17 10.102 6.120 8.414 1.00 74.24 C ATOM 270 C ASP A 17 10.987 6.069 7.166 1.00 25.40 C ATOM 271 O ASP A 17 11.912 5.251 7.082 1.00 10.34 O ATOM 272 CB ASP A 17 10.778 6.965 9.517 1.00 54.35 C ATOM 273 CG ASP A 17 9.880 7.124 10.752 1.00 63.20 C ATOM 274 OD1 ASP A 17 9.821 6.183 11.581 1.00 24.32 O ATOM 275 OD2 ASP A 17 9.204 8.172 10.887 1.00 73.35 O ATOM 0 H ASP A 17 10.387 4.539 9.753 1.00 42.25 H new ATOM 0 HA ASP A 17 9.156 6.580 8.127 1.00 74.24 H new ATOM 0 HB2 ASP A 17 11.717 6.495 9.810 1.00 54.35 H new ATOM 0 HB3 ASP A 17 11.025 7.949 9.119 1.00 54.35 H new ATOM 280 N THR A 18 10.704 6.976 6.226 1.00 20.40 N ATOM 281 CA THR A 18 11.397 7.073 4.931 1.00 5.42 C ATOM 282 C THR A 18 11.872 8.545 4.743 1.00 74.21 C ATOM 283 O THR A 18 11.253 9.445 5.332 1.00 52.21 O ATOM 284 CB THR A 18 10.445 6.630 3.754 1.00 1.11 C ATOM 285 OG1 THR A 18 9.294 7.463 3.718 1.00 24.21 O ATOM 286 CG2 THR A 18 9.990 5.165 3.858 1.00 64.21 C ATOM 0 H THR A 18 9.973 7.678 6.343 1.00 20.40 H new ATOM 0 HA THR A 18 12.258 6.404 4.917 1.00 5.42 H new ATOM 0 HB THR A 18 11.028 6.730 2.838 1.00 1.11 H new ATOM 0 HG1 THR A 18 8.562 7.030 4.205 1.00 24.21 H new ATOM 0 HG21 THR A 18 9.338 4.926 3.018 1.00 64.21 H new ATOM 0 HG22 THR A 18 10.862 4.511 3.838 1.00 64.21 H new ATOM 0 HG23 THR A 18 9.447 5.018 4.792 1.00 64.21 H new ATOM 294 N PRO A 19 12.981 8.811 3.946 1.00 51.35 N ATOM 295 CA PRO A 19 13.572 10.179 3.744 1.00 72.21 C ATOM 296 C PRO A 19 12.539 11.317 3.554 1.00 1.11 C ATOM 297 O PRO A 19 12.687 12.405 4.127 1.00 55.13 O ATOM 298 CB PRO A 19 14.417 9.984 2.463 1.00 53.12 C ATOM 299 CG PRO A 19 14.896 8.564 2.553 1.00 10.23 C ATOM 300 CD PRO A 19 13.760 7.783 3.190 1.00 31.41 C ATOM 0 HA PRO A 19 14.126 10.504 4.625 1.00 72.21 H new ATOM 0 HB2 PRO A 19 13.822 10.148 1.564 1.00 53.12 H new ATOM 0 HB3 PRO A 19 15.251 10.684 2.425 1.00 53.12 H new ATOM 0 HG2 PRO A 19 15.136 8.169 1.566 1.00 10.23 H new ATOM 0 HG3 PRO A 19 15.803 8.495 3.154 1.00 10.23 H new ATOM 0 HD2 PRO A 19 13.144 7.292 2.437 1.00 31.41 H new ATOM 0 HD3 PRO A 19 14.136 7.003 3.852 1.00 31.41 H new ATOM 308 N ASN A 20 11.495 11.043 2.752 1.00 54.43 N ATOM 309 CA ASN A 20 10.375 11.980 2.523 1.00 51.21 C ATOM 310 C ASN A 20 9.180 11.569 3.410 1.00 44.51 C ATOM 311 O ASN A 20 8.733 10.424 3.323 1.00 61.11 O ATOM 312 CB ASN A 20 9.946 11.990 1.029 1.00 13.42 C ATOM 313 CG ASN A 20 11.056 12.493 0.100 1.00 30.40 C ATOM 314 OD1 ASN A 20 11.871 11.710 -0.389 1.00 4.01 O ATOM 315 ND2 ASN A 20 11.091 13.797 -0.155 1.00 62.52 N ATOM 0 H ASN A 20 11.402 10.164 2.242 1.00 54.43 H new ATOM 0 HA ASN A 20 10.704 12.986 2.784 1.00 51.21 H new ATOM 0 HB2 ASN A 20 9.657 10.982 0.731 1.00 13.42 H new ATOM 0 HB3 ASN A 20 9.065 12.622 0.912 1.00 13.42 H new ATOM 0 HD21 ASN A 20 11.808 14.177 -0.773 1.00 62.52 H new ATOM 0 HD22 ASN A 20 10.400 14.418 0.267 1.00 62.52 H new ATOM 322 N PRO A 21 8.637 12.494 4.277 1.00 1.32 N ATOM 323 CA PRO A 21 7.437 12.210 5.124 1.00 43.22 C ATOM 324 C PRO A 21 6.139 12.000 4.306 1.00 11.54 C ATOM 325 O PRO A 21 5.120 11.544 4.852 1.00 21.44 O ATOM 326 CB PRO A 21 7.340 13.464 6.031 1.00 53.42 C ATOM 327 CG PRO A 21 8.041 14.549 5.276 1.00 64.21 C ATOM 328 CD PRO A 21 9.165 13.865 4.532 1.00 73.24 C ATOM 0 HA PRO A 21 7.544 11.276 5.676 1.00 43.22 H new ATOM 0 HB2 PRO A 21 6.301 13.729 6.227 1.00 53.42 H new ATOM 0 HB3 PRO A 21 7.812 13.288 6.998 1.00 53.42 H new ATOM 0 HG2 PRO A 21 7.361 15.049 4.586 1.00 64.21 H new ATOM 0 HG3 PRO A 21 8.426 15.312 5.953 1.00 64.21 H new ATOM 0 HD2 PRO A 21 9.403 14.382 3.602 1.00 73.24 H new ATOM 0 HD3 PRO A 21 10.079 13.838 5.125 1.00 73.24 H new ATOM 336 N ASN A 22 6.185 12.338 2.996 1.00 11.00 N ATOM 337 CA ASN A 22 5.065 12.092 2.066 1.00 33.41 C ATOM 338 C ASN A 22 4.903 10.592 1.774 1.00 32.05 C ATOM 339 O ASN A 22 3.840 10.161 1.343 1.00 63.43 O ATOM 340 CB ASN A 22 5.233 12.893 0.743 1.00 43.22 C ATOM 341 CG ASN A 22 4.950 14.395 0.905 1.00 44.42 C ATOM 342 OD1 ASN A 22 4.197 14.807 1.795 1.00 65.22 O ATOM 343 ND2 ASN A 22 5.508 15.216 0.030 1.00 15.21 N ATOM 0 H ASN A 22 6.992 12.784 2.560 1.00 11.00 H new ATOM 0 HA ASN A 22 4.157 12.443 2.556 1.00 33.41 H new ATOM 0 HB2 ASN A 22 6.249 12.759 0.371 1.00 43.22 H new ATOM 0 HB3 ASN A 22 4.561 12.482 -0.011 1.00 43.22 H new ATOM 0 HD21 ASN A 22 5.321 16.217 0.079 1.00 15.21 H new ATOM 0 HD22 ASN A 22 6.125 14.847 -0.694 1.00 15.21 H new ATOM 350 N SER A 23 5.960 9.813 2.026 1.00 13.45 N ATOM 351 CA SER A 23 5.929 8.348 1.911 1.00 14.52 C ATOM 352 C SER A 23 6.052 7.726 3.315 1.00 23.01 C ATOM 353 O SER A 23 6.729 8.276 4.192 1.00 35.24 O ATOM 354 CB SER A 23 7.054 7.869 0.955 1.00 13.21 C ATOM 355 OG SER A 23 8.305 8.455 1.274 1.00 14.44 O ATOM 0 H SER A 23 6.866 10.181 2.317 1.00 13.45 H new ATOM 0 HA SER A 23 4.981 8.022 1.482 1.00 14.52 H new ATOM 0 HB2 SER A 23 7.138 6.784 1.008 1.00 13.21 H new ATOM 0 HB3 SER A 23 6.788 8.118 -0.072 1.00 13.21 H new ATOM 0 HG SER A 23 8.634 8.084 2.119 1.00 14.44 H new ATOM 361 N LEU A 24 5.334 6.618 3.536 1.00 32.13 N ATOM 362 CA LEU A 24 5.412 5.841 4.781 1.00 31.14 C ATOM 363 C LEU A 24 5.348 4.351 4.436 1.00 62.11 C ATOM 364 O LEU A 24 4.543 3.940 3.593 1.00 14.13 O ATOM 365 CB LEU A 24 4.265 6.247 5.749 1.00 10.24 C ATOM 366 CG LEU A 24 4.287 5.609 7.176 1.00 32.14 C ATOM 367 CD1 LEU A 24 5.594 5.945 7.931 1.00 71.53 C ATOM 368 CD2 LEU A 24 3.036 6.037 7.981 1.00 5.33 C ATOM 0 H LEU A 24 4.680 6.233 2.854 1.00 32.13 H new ATOM 0 HA LEU A 24 6.353 6.049 5.290 1.00 31.14 H new ATOM 0 HB2 LEU A 24 4.283 7.331 5.861 1.00 10.24 H new ATOM 0 HB3 LEU A 24 3.316 5.991 5.277 1.00 10.24 H new ATOM 0 HG LEU A 24 4.259 4.525 7.061 1.00 32.14 H new ATOM 0 HD11 LEU A 24 5.572 5.484 8.919 1.00 71.53 H new ATOM 0 HD12 LEU A 24 6.447 5.562 7.370 1.00 71.53 H new ATOM 0 HD13 LEU A 24 5.685 7.026 8.037 1.00 71.53 H new ATOM 0 HD21 LEU A 24 3.068 5.584 8.972 1.00 5.33 H new ATOM 0 HD22 LEU A 24 3.020 7.122 8.079 1.00 5.33 H new ATOM 0 HD23 LEU A 24 2.137 5.707 7.460 1.00 5.33 H new ATOM 380 N LYS A 25 6.214 3.557 5.077 1.00 11.22 N ATOM 381 CA LYS A 25 6.312 2.114 4.831 1.00 4.05 C ATOM 382 C LYS A 25 5.393 1.346 5.801 1.00 74.42 C ATOM 383 O LYS A 25 5.518 1.477 7.012 1.00 2.22 O ATOM 384 CB LYS A 25 7.780 1.658 4.987 1.00 3.32 C ATOM 385 CG LYS A 25 8.024 0.154 4.691 1.00 41.20 C ATOM 386 CD LYS A 25 9.512 -0.230 4.822 1.00 40.12 C ATOM 387 CE LYS A 25 10.396 0.472 3.778 1.00 64.44 C ATOM 388 NZ LYS A 25 11.840 0.313 4.087 1.00 14.25 N ATOM 0 H LYS A 25 6.867 3.898 5.782 1.00 11.22 H new ATOM 0 HA LYS A 25 5.987 1.899 3.813 1.00 4.05 H new ATOM 0 HB2 LYS A 25 8.404 2.252 4.320 1.00 3.32 H new ATOM 0 HB3 LYS A 25 8.107 1.872 6.004 1.00 3.32 H new ATOM 0 HG2 LYS A 25 7.432 -0.451 5.378 1.00 41.20 H new ATOM 0 HG3 LYS A 25 7.678 -0.077 3.684 1.00 41.20 H new ATOM 0 HD2 LYS A 25 9.863 0.026 5.822 1.00 40.12 H new ATOM 0 HD3 LYS A 25 9.616 -1.310 4.714 1.00 40.12 H new ATOM 0 HE2 LYS A 25 10.188 0.062 2.790 1.00 64.44 H new ATOM 0 HE3 LYS A 25 10.146 1.532 3.743 1.00 64.44 H new ATOM 0 HZ1 LYS A 25 12.368 1.124 3.706 1.00 14.25 H new ATOM 0 HZ2 LYS A 25 11.972 0.268 5.118 1.00 14.25 H new ATOM 0 HZ3 LYS A 25 12.193 -0.564 3.654 1.00 14.25 H new ATOM 402 N PHE A 26 4.466 0.559 5.244 1.00 74.35 N ATOM 403 CA PHE A 26 3.527 -0.283 5.997 1.00 72.20 C ATOM 404 C PHE A 26 3.958 -1.755 5.897 1.00 14.43 C ATOM 405 O PHE A 26 3.799 -2.377 4.841 1.00 4.42 O ATOM 406 CB PHE A 26 2.106 -0.088 5.404 1.00 24.22 C ATOM 407 CG PHE A 26 1.599 1.348 5.535 1.00 30.24 C ATOM 408 CD1 PHE A 26 1.079 1.802 6.742 1.00 61.24 C ATOM 409 CD2 PHE A 26 1.667 2.248 4.467 1.00 32.22 C ATOM 410 CE1 PHE A 26 0.637 3.098 6.882 1.00 1.32 C ATOM 411 CE2 PHE A 26 1.219 3.551 4.612 1.00 54.41 C ATOM 412 CZ PHE A 26 0.706 3.975 5.819 1.00 62.43 C ATOM 0 H PHE A 26 4.344 0.487 4.234 1.00 74.35 H new ATOM 0 HA PHE A 26 3.523 0.001 7.049 1.00 72.20 H new ATOM 0 HB2 PHE A 26 2.115 -0.370 4.351 1.00 24.22 H new ATOM 0 HB3 PHE A 26 1.412 -0.760 5.908 1.00 24.22 H new ATOM 0 HD1 PHE A 26 1.021 1.127 7.583 1.00 61.24 H new ATOM 0 HD2 PHE A 26 2.073 1.924 3.520 1.00 32.22 H new ATOM 0 HE1 PHE A 26 0.235 3.430 7.828 1.00 1.32 H new ATOM 0 HE2 PHE A 26 1.272 4.235 3.778 1.00 54.41 H new ATOM 0 HZ PHE A 26 0.359 4.991 5.932 1.00 62.43 H new ATOM 422 N ILE A 27 4.527 -2.297 6.986 1.00 41.43 N ATOM 423 CA ILE A 27 4.942 -3.707 7.060 1.00 73.11 C ATOM 424 C ILE A 27 3.730 -4.523 7.569 1.00 44.15 C ATOM 425 O ILE A 27 3.353 -4.368 8.734 1.00 35.24 O ATOM 426 CB ILE A 27 6.174 -3.939 8.039 1.00 70.12 C ATOM 427 CG1 ILE A 27 7.452 -3.121 7.612 1.00 55.11 C ATOM 428 CG2 ILE A 27 6.497 -5.458 8.188 1.00 20.14 C ATOM 429 CD1 ILE A 27 7.427 -1.632 7.970 1.00 22.04 C ATOM 0 H ILE A 27 4.712 -1.770 7.840 1.00 41.43 H new ATOM 0 HA ILE A 27 5.265 -4.023 6.068 1.00 73.11 H new ATOM 0 HB ILE A 27 5.874 -3.558 9.015 1.00 70.12 H new ATOM 0 HG12 ILE A 27 8.326 -3.575 8.079 1.00 55.11 H new ATOM 0 HG13 ILE A 27 7.580 -3.216 6.534 1.00 55.11 H new ATOM 0 HG21 ILE A 27 7.343 -5.586 8.863 1.00 20.14 H new ATOM 0 HG22 ILE A 27 5.628 -5.977 8.593 1.00 20.14 H new ATOM 0 HG23 ILE A 27 6.745 -5.875 7.212 1.00 20.14 H new ATOM 0 HD11 ILE A 27 8.351 -1.161 7.633 1.00 22.04 H new ATOM 0 HD12 ILE A 27 6.578 -1.155 7.482 1.00 22.04 H new ATOM 0 HD13 ILE A 27 7.335 -1.519 9.050 1.00 22.04 H new ATOM 441 N PRO A 28 3.088 -5.383 6.712 1.00 71.23 N ATOM 442 CA PRO A 28 1.950 -6.241 7.138 1.00 31.41 C ATOM 443 C PRO A 28 2.400 -7.500 7.918 1.00 33.50 C ATOM 444 O PRO A 28 1.561 -8.262 8.422 1.00 62.35 O ATOM 445 CB PRO A 28 1.292 -6.602 5.788 1.00 11.34 C ATOM 446 CG PRO A 28 2.435 -6.667 4.822 1.00 65.52 C ATOM 447 CD PRO A 28 3.399 -5.577 5.258 1.00 60.41 C ATOM 0 HA PRO A 28 1.280 -5.740 7.837 1.00 31.41 H new ATOM 0 HB2 PRO A 28 0.765 -7.555 5.845 1.00 11.34 H new ATOM 0 HB3 PRO A 28 0.561 -5.851 5.489 1.00 11.34 H new ATOM 0 HG2 PRO A 28 2.913 -7.646 4.846 1.00 65.52 H new ATOM 0 HG3 PRO A 28 2.094 -6.503 3.800 1.00 65.52 H new ATOM 0 HD2 PRO A 28 4.436 -5.877 5.108 1.00 60.41 H new ATOM 0 HD3 PRO A 28 3.247 -4.659 4.691 1.00 60.41 H new ATOM 455 N GLY A 29 3.733 -7.709 7.988 1.00 43.12 N ATOM 456 CA GLY A 29 4.320 -8.830 8.724 1.00 70.01 C ATOM 457 C GLY A 29 4.212 -10.156 7.984 1.00 1.22 C ATOM 458 O GLY A 29 4.311 -11.223 8.603 1.00 55.25 O ATOM 0 H GLY A 29 4.420 -7.106 7.537 1.00 43.12 H new ATOM 0 HA2 GLY A 29 5.370 -8.616 8.922 1.00 70.01 H new ATOM 0 HA3 GLY A 29 3.826 -8.920 9.691 1.00 70.01 H new ATOM 462 N LYS A 30 3.964 -10.083 6.655 1.00 23.22 N ATOM 463 CA LYS A 30 3.937 -11.253 5.749 1.00 32.01 C ATOM 464 C LYS A 30 4.544 -10.838 4.386 1.00 30.25 C ATOM 465 O LYS A 30 4.306 -9.706 3.935 1.00 23.32 O ATOM 466 CB LYS A 30 2.490 -11.821 5.541 1.00 30.44 C ATOM 467 CG LYS A 30 1.751 -12.262 6.835 1.00 62.22 C ATOM 468 CD LYS A 30 0.563 -13.238 6.615 1.00 32.35 C ATOM 469 CE LYS A 30 -0.516 -12.720 5.641 1.00 44.20 C ATOM 470 NZ LYS A 30 -0.177 -12.974 4.205 1.00 64.34 N ATOM 0 H LYS A 30 3.775 -9.201 6.178 1.00 23.22 H new ATOM 0 HA LYS A 30 4.523 -12.050 6.207 1.00 32.01 H new ATOM 0 HB2 LYS A 30 1.889 -11.061 5.041 1.00 30.44 H new ATOM 0 HB3 LYS A 30 2.548 -12.676 4.867 1.00 30.44 H new ATOM 0 HG2 LYS A 30 2.471 -12.735 7.503 1.00 62.22 H new ATOM 0 HG3 LYS A 30 1.381 -11.372 7.344 1.00 62.22 H new ATOM 0 HD2 LYS A 30 0.951 -14.184 6.238 1.00 32.35 H new ATOM 0 HD3 LYS A 30 0.096 -13.446 7.578 1.00 32.35 H new ATOM 0 HE2 LYS A 30 -1.468 -13.198 5.874 1.00 44.20 H new ATOM 0 HE3 LYS A 30 -0.651 -11.649 5.793 1.00 44.20 H new ATOM 0 HZ1 LYS A 30 -1.051 -13.011 3.643 1.00 64.34 H new ATOM 0 HZ2 LYS A 30 0.430 -12.207 3.851 1.00 64.34 H new ATOM 0 HZ3 LYS A 30 0.326 -13.880 4.122 1.00 64.34 H new ATOM 484 N PRO A 31 5.340 -11.736 3.706 1.00 4.13 N ATOM 485 CA PRO A 31 5.987 -11.416 2.410 1.00 61.22 C ATOM 486 C PRO A 31 4.948 -11.259 1.277 1.00 1.33 C ATOM 487 O PRO A 31 4.428 -12.258 0.758 1.00 63.40 O ATOM 488 CB PRO A 31 6.955 -12.615 2.162 1.00 35.03 C ATOM 489 CG PRO A 31 6.991 -13.381 3.459 1.00 72.31 C ATOM 490 CD PRO A 31 5.662 -13.126 4.130 1.00 54.51 C ATOM 0 HA PRO A 31 6.515 -10.462 2.430 1.00 61.22 H new ATOM 0 HB2 PRO A 31 6.600 -13.243 1.345 1.00 35.03 H new ATOM 0 HB3 PRO A 31 7.950 -12.265 1.885 1.00 35.03 H new ATOM 0 HG2 PRO A 31 7.139 -14.446 3.279 1.00 72.31 H new ATOM 0 HG3 PRO A 31 7.816 -13.046 4.087 1.00 72.31 H new ATOM 0 HD2 PRO A 31 4.901 -13.835 3.803 1.00 54.51 H new ATOM 0 HD3 PRO A 31 5.733 -13.212 5.214 1.00 54.51 H new ATOM 498 N VAL A 32 4.603 -9.997 0.949 1.00 73.24 N ATOM 499 CA VAL A 32 3.635 -9.684 -0.127 1.00 1.41 C ATOM 500 C VAL A 32 4.246 -9.979 -1.514 1.00 23.22 C ATOM 501 O VAL A 32 3.567 -10.500 -2.406 1.00 21.11 O ATOM 502 CB VAL A 32 3.101 -8.201 -0.025 1.00 52.33 C ATOM 503 CG1 VAL A 32 2.391 -7.971 1.329 1.00 54.33 C ATOM 504 CG2 VAL A 32 4.212 -7.153 -0.257 1.00 62.23 C ATOM 0 H VAL A 32 4.982 -9.173 1.416 1.00 73.24 H new ATOM 0 HA VAL A 32 2.771 -10.336 0.003 1.00 1.41 H new ATOM 0 HB VAL A 32 2.375 -8.065 -0.827 1.00 52.33 H new ATOM 0 HG11 VAL A 32 2.030 -6.944 1.381 1.00 54.33 H new ATOM 0 HG12 VAL A 32 1.548 -8.657 1.419 1.00 54.33 H new ATOM 0 HG13 VAL A 32 3.093 -8.150 2.143 1.00 54.33 H new ATOM 0 HG21 VAL A 32 3.790 -6.151 -0.176 1.00 62.23 H new ATOM 0 HG22 VAL A 32 4.994 -7.279 0.492 1.00 62.23 H new ATOM 0 HG23 VAL A 32 4.637 -7.288 -1.251 1.00 62.23 H new ATOM 514 N LEU A 33 5.547 -9.660 -1.658 1.00 14.12 N ATOM 515 CA LEU A 33 6.349 -9.970 -2.851 1.00 24.30 C ATOM 516 C LEU A 33 7.771 -10.325 -2.417 1.00 3.31 C ATOM 517 O LEU A 33 8.642 -9.463 -2.353 1.00 4.14 O ATOM 518 CB LEU A 33 6.368 -8.781 -3.861 1.00 71.42 C ATOM 519 CG LEU A 33 5.105 -8.583 -4.742 1.00 21.43 C ATOM 520 CD1 LEU A 33 5.269 -7.360 -5.660 1.00 53.25 C ATOM 521 CD2 LEU A 33 4.789 -9.857 -5.558 1.00 74.51 C ATOM 0 H LEU A 33 6.076 -9.172 -0.935 1.00 14.12 H new ATOM 0 HA LEU A 33 5.894 -10.818 -3.364 1.00 24.30 H new ATOM 0 HB2 LEU A 33 6.536 -7.862 -3.299 1.00 71.42 H new ATOM 0 HB3 LEU A 33 7.225 -8.912 -4.522 1.00 71.42 H new ATOM 0 HG LEU A 33 4.258 -8.398 -4.082 1.00 21.43 H new ATOM 0 HD11 LEU A 33 4.373 -7.239 -6.269 1.00 53.25 H new ATOM 0 HD12 LEU A 33 5.418 -6.467 -5.053 1.00 53.25 H new ATOM 0 HD13 LEU A 33 6.132 -7.506 -6.310 1.00 53.25 H new ATOM 0 HD21 LEU A 33 3.900 -9.689 -6.165 1.00 74.51 H new ATOM 0 HD22 LEU A 33 5.633 -10.092 -6.207 1.00 74.51 H new ATOM 0 HD23 LEU A 33 4.612 -10.690 -4.878 1.00 74.51 H new ATOM 533 N GLU A 34 7.982 -11.591 -2.066 1.00 41.45 N ATOM 534 CA GLU A 34 9.318 -12.107 -1.725 1.00 34.15 C ATOM 535 C GLU A 34 10.100 -12.424 -3.018 1.00 20.42 C ATOM 536 O GLU A 34 11.332 -12.324 -3.065 1.00 34.54 O ATOM 537 CB GLU A 34 9.176 -13.364 -0.822 1.00 70.21 C ATOM 538 CG GLU A 34 10.502 -13.893 -0.222 1.00 75.14 C ATOM 539 CD GLU A 34 11.276 -12.850 0.616 1.00 31.01 C ATOM 540 OE1 GLU A 34 10.636 -12.069 1.360 1.00 62.21 O ATOM 541 OE2 GLU A 34 12.525 -12.843 0.565 1.00 14.44 O ATOM 0 H GLU A 34 7.241 -12.290 -2.008 1.00 41.45 H new ATOM 0 HA GLU A 34 9.877 -11.353 -1.171 1.00 34.15 H new ATOM 0 HB2 GLU A 34 8.493 -13.131 -0.005 1.00 70.21 H new ATOM 0 HB3 GLU A 34 8.715 -14.161 -1.405 1.00 70.21 H new ATOM 0 HG2 GLU A 34 10.285 -14.758 0.405 1.00 75.14 H new ATOM 0 HG3 GLU A 34 11.143 -14.239 -1.033 1.00 75.14 H new ATOM 548 N THR A 35 9.345 -12.816 -4.052 1.00 35.32 N ATOM 549 CA THR A 35 9.867 -13.166 -5.385 1.00 0.24 C ATOM 550 C THR A 35 10.441 -11.949 -6.144 1.00 24.21 C ATOM 551 O THR A 35 11.409 -12.098 -6.900 1.00 23.02 O ATOM 552 CB THR A 35 8.744 -13.858 -6.247 1.00 41.42 C ATOM 553 OG1 THR A 35 9.198 -14.121 -7.588 1.00 32.53 O ATOM 554 CG2 THR A 35 7.445 -13.027 -6.298 1.00 60.12 C ATOM 0 H THR A 35 8.331 -12.902 -3.987 1.00 35.32 H new ATOM 0 HA THR A 35 10.692 -13.861 -5.226 1.00 0.24 H new ATOM 0 HB THR A 35 8.523 -14.803 -5.751 1.00 41.42 H new ATOM 0 HG1 THR A 35 8.480 -14.552 -8.098 1.00 32.53 H new ATOM 0 HG21 THR A 35 6.704 -13.548 -6.904 1.00 60.12 H new ATOM 0 HG22 THR A 35 7.059 -12.893 -5.288 1.00 60.12 H new ATOM 0 HG23 THR A 35 7.654 -12.052 -6.738 1.00 60.12 H new ATOM 562 N ARG A 36 9.852 -10.754 -5.934 1.00 41.32 N ATOM 563 CA ARG A 36 10.184 -9.552 -6.731 1.00 53.40 C ATOM 564 C ARG A 36 9.713 -8.272 -6.018 1.00 21.42 C ATOM 565 O ARG A 36 9.382 -8.293 -4.835 1.00 43.44 O ATOM 566 CB ARG A 36 9.530 -9.656 -8.141 1.00 62.23 C ATOM 567 CG ARG A 36 7.981 -9.609 -8.146 1.00 4.42 C ATOM 568 CD ARG A 36 7.383 -9.629 -9.561 1.00 41.01 C ATOM 569 NE ARG A 36 7.823 -8.479 -10.377 1.00 4.32 N ATOM 570 CZ ARG A 36 7.200 -8.027 -11.480 1.00 10.24 C ATOM 571 NH1 ARG A 36 6.087 -8.612 -11.936 1.00 32.33 N ATOM 572 NH2 ARG A 36 7.714 -6.993 -12.133 1.00 1.32 N ATOM 0 H ARG A 36 9.143 -10.594 -5.218 1.00 41.32 H new ATOM 0 HA ARG A 36 11.267 -9.498 -6.841 1.00 53.40 H new ATOM 0 HB2 ARG A 36 9.906 -8.842 -8.761 1.00 62.23 H new ATOM 0 HB3 ARG A 36 9.852 -10.587 -8.607 1.00 62.23 H new ATOM 0 HG2 ARG A 36 7.596 -10.459 -7.583 1.00 4.42 H new ATOM 0 HG3 ARG A 36 7.649 -8.708 -7.630 1.00 4.42 H new ATOM 0 HD2 ARG A 36 7.669 -10.555 -10.060 1.00 41.01 H new ATOM 0 HD3 ARG A 36 6.295 -9.627 -9.492 1.00 41.01 H new ATOM 0 HE ARG A 36 8.667 -7.989 -10.080 1.00 4.32 H new ATOM 0 HH11 ARG A 36 5.696 -9.416 -11.445 1.00 32.33 H new ATOM 0 HH12 ARG A 36 5.629 -8.254 -12.774 1.00 32.33 H new ATOM 0 HH21 ARG A 36 8.570 -6.552 -11.797 1.00 1.32 H new ATOM 0 HH22 ARG A 36 7.253 -6.639 -12.971 1.00 1.32 H new ATOM 586 N THR A 37 9.750 -7.151 -6.755 1.00 54.34 N ATOM 587 CA THR A 37 9.116 -5.877 -6.366 1.00 72.22 C ATOM 588 C THR A 37 8.294 -5.355 -7.559 1.00 20.12 C ATOM 589 O THR A 37 8.612 -5.672 -8.721 1.00 72.20 O ATOM 590 CB THR A 37 10.181 -4.812 -5.936 1.00 23.22 C ATOM 591 OG1 THR A 37 11.132 -4.603 -6.988 1.00 53.35 O ATOM 592 CG2 THR A 37 10.929 -5.212 -4.656 1.00 3.01 C ATOM 0 H THR A 37 10.229 -7.101 -7.654 1.00 54.34 H new ATOM 0 HA THR A 37 8.468 -6.052 -5.507 1.00 72.22 H new ATOM 0 HB THR A 37 9.635 -3.891 -5.733 1.00 23.22 H new ATOM 0 HG1 THR A 37 11.790 -3.934 -6.706 1.00 53.35 H new ATOM 0 HG21 THR A 37 11.655 -4.440 -4.402 1.00 3.01 H new ATOM 0 HG22 THR A 37 10.217 -5.323 -3.838 1.00 3.01 H new ATOM 0 HG23 THR A 37 11.447 -6.158 -4.818 1.00 3.01 H new ATOM 600 N MET A 38 7.221 -4.579 -7.275 1.00 64.25 N ATOM 601 CA MET A 38 6.325 -4.024 -8.312 1.00 22.04 C ATOM 602 C MET A 38 5.933 -2.591 -7.935 1.00 11.31 C ATOM 603 O MET A 38 5.336 -2.362 -6.880 1.00 62.11 O ATOM 604 CB MET A 38 5.057 -4.913 -8.502 1.00 15.53 C ATOM 605 CG MET A 38 5.340 -6.298 -9.100 1.00 44.32 C ATOM 606 SD MET A 38 3.877 -7.339 -9.257 1.00 42.33 S ATOM 607 CE MET A 38 2.966 -6.486 -10.533 1.00 54.21 C ATOM 0 H MET A 38 6.955 -4.322 -6.324 1.00 64.25 H new ATOM 0 HA MET A 38 6.858 -4.012 -9.263 1.00 22.04 H new ATOM 0 HB2 MET A 38 4.569 -5.040 -7.536 1.00 15.53 H new ATOM 0 HB3 MET A 38 4.353 -4.388 -9.148 1.00 15.53 H new ATOM 0 HG2 MET A 38 5.792 -6.173 -10.084 1.00 44.32 H new ATOM 0 HG3 MET A 38 6.073 -6.810 -8.476 1.00 44.32 H new ATOM 0 HE1 MET A 38 1.982 -6.210 -10.155 1.00 54.21 H new ATOM 0 HE2 MET A 38 3.507 -5.587 -10.827 1.00 54.21 H new ATOM 0 HE3 MET A 38 2.852 -7.140 -11.398 1.00 54.21 H new ATOM 617 N ASP A 39 6.310 -1.639 -8.799 1.00 55.04 N ATOM 618 CA ASP A 39 6.007 -0.210 -8.634 1.00 72.33 C ATOM 619 C ASP A 39 4.705 0.148 -9.352 1.00 2.41 C ATOM 620 O ASP A 39 4.439 -0.332 -10.461 1.00 3.25 O ATOM 621 CB ASP A 39 7.179 0.649 -9.183 1.00 53.13 C ATOM 622 CG ASP A 39 7.416 0.485 -10.698 1.00 54.30 C ATOM 623 OD1 ASP A 39 7.908 -0.595 -11.116 1.00 14.33 O ATOM 624 OD2 ASP A 39 7.090 1.414 -11.475 1.00 1.53 O ATOM 0 H ASP A 39 6.842 -1.843 -9.645 1.00 55.04 H new ATOM 0 HA ASP A 39 5.883 0.000 -7.572 1.00 72.33 H new ATOM 0 HB2 ASP A 39 6.979 1.699 -8.968 1.00 53.13 H new ATOM 0 HB3 ASP A 39 8.092 0.383 -8.651 1.00 53.13 H new ATOM 629 N PHE A 40 3.890 0.979 -8.702 1.00 64.43 N ATOM 630 CA PHE A 40 2.625 1.484 -9.258 1.00 52.11 C ATOM 631 C PHE A 40 2.596 3.015 -9.094 1.00 4.22 C ATOM 632 O PHE A 40 2.178 3.518 -8.047 1.00 42.52 O ATOM 633 CB PHE A 40 1.410 0.818 -8.551 1.00 5.10 C ATOM 634 CG PHE A 40 1.468 -0.707 -8.553 1.00 70.30 C ATOM 635 CD1 PHE A 40 1.199 -1.427 -9.714 1.00 44.51 C ATOM 636 CD2 PHE A 40 1.834 -1.419 -7.407 1.00 52.45 C ATOM 637 CE1 PHE A 40 1.271 -2.805 -9.730 1.00 44.45 C ATOM 638 CE2 PHE A 40 1.911 -2.794 -7.431 1.00 3.43 C ATOM 639 CZ PHE A 40 1.634 -3.486 -8.593 1.00 63.23 C ATOM 0 H PHE A 40 4.088 1.327 -7.764 1.00 64.43 H new ATOM 0 HA PHE A 40 2.557 1.233 -10.317 1.00 52.11 H new ATOM 0 HB2 PHE A 40 1.360 1.171 -7.521 1.00 5.10 H new ATOM 0 HB3 PHE A 40 0.492 1.140 -9.043 1.00 5.10 H new ATOM 0 HD1 PHE A 40 0.930 -0.899 -10.617 1.00 44.51 H new ATOM 0 HD2 PHE A 40 2.058 -0.886 -6.495 1.00 52.45 H new ATOM 0 HE1 PHE A 40 1.042 -3.348 -10.635 1.00 44.45 H new ATOM 0 HE2 PHE A 40 2.189 -3.333 -6.537 1.00 3.43 H new ATOM 0 HZ PHE A 40 1.703 -4.564 -8.608 1.00 63.23 H new ATOM 649 N PRO A 41 3.130 3.782 -10.093 1.00 64.42 N ATOM 650 CA PRO A 41 3.051 5.264 -10.078 1.00 73.23 C ATOM 651 C PRO A 41 1.610 5.760 -10.308 1.00 54.23 C ATOM 652 O PRO A 41 1.166 6.747 -9.708 1.00 73.45 O ATOM 653 CB PRO A 41 3.997 5.690 -11.247 1.00 0.14 C ATOM 654 CG PRO A 41 4.791 4.455 -11.592 1.00 5.13 C ATOM 655 CD PRO A 41 3.885 3.289 -11.283 1.00 12.42 C ATOM 0 HA PRO A 41 3.343 5.691 -9.119 1.00 73.23 H new ATOM 0 HB2 PRO A 41 3.426 6.042 -12.106 1.00 0.14 H new ATOM 0 HB3 PRO A 41 4.653 6.506 -10.944 1.00 0.14 H new ATOM 0 HG2 PRO A 41 5.082 4.457 -12.642 1.00 5.13 H new ATOM 0 HG3 PRO A 41 5.709 4.403 -11.007 1.00 5.13 H new ATOM 0 HD2 PRO A 41 3.223 3.056 -12.117 1.00 12.42 H new ATOM 0 HD3 PRO A 41 4.449 2.383 -11.061 1.00 12.42 H new ATOM 663 N THR A 42 0.889 5.039 -11.182 1.00 43.34 N ATOM 664 CA THR A 42 -0.443 5.419 -11.665 1.00 72.01 C ATOM 665 C THR A 42 -1.480 4.345 -11.258 1.00 41.31 C ATOM 666 O THR A 42 -1.117 3.166 -11.080 1.00 64.13 O ATOM 667 CB THR A 42 -0.424 5.563 -13.225 1.00 52.01 C ATOM 668 OG1 THR A 42 -0.031 4.320 -13.833 1.00 14.31 O ATOM 669 CG2 THR A 42 0.524 6.685 -13.694 1.00 2.32 C ATOM 0 H THR A 42 1.224 4.161 -11.578 1.00 43.34 H new ATOM 0 HA THR A 42 -0.720 6.374 -11.218 1.00 72.01 H new ATOM 0 HB THR A 42 -1.435 5.827 -13.535 1.00 52.01 H new ATOM 0 HG1 THR A 42 -0.024 4.420 -14.808 1.00 14.31 H new ATOM 0 HG21 THR A 42 0.504 6.747 -14.782 1.00 2.32 H new ATOM 0 HG22 THR A 42 0.200 7.636 -13.270 1.00 2.32 H new ATOM 0 HG23 THR A 42 1.539 6.466 -13.362 1.00 2.32 H new ATOM 677 N PRO A 43 -2.791 4.734 -11.091 1.00 43.31 N ATOM 678 CA PRO A 43 -3.904 3.766 -10.937 1.00 23.41 C ATOM 679 C PRO A 43 -4.020 2.791 -12.136 1.00 24.20 C ATOM 680 O PRO A 43 -4.506 1.666 -11.977 1.00 62.21 O ATOM 681 CB PRO A 43 -5.166 4.666 -10.825 1.00 65.10 C ATOM 682 CG PRO A 43 -4.642 5.996 -10.358 1.00 51.31 C ATOM 683 CD PRO A 43 -3.275 6.140 -10.989 1.00 62.02 C ATOM 0 HA PRO A 43 -3.758 3.119 -10.072 1.00 23.41 H new ATOM 0 HB2 PRO A 43 -5.676 4.755 -11.784 1.00 65.10 H new ATOM 0 HB3 PRO A 43 -5.886 4.253 -10.118 1.00 65.10 H new ATOM 0 HG2 PRO A 43 -5.303 6.807 -10.665 1.00 51.31 H new ATOM 0 HG3 PRO A 43 -4.577 6.032 -9.271 1.00 51.31 H new ATOM 0 HD2 PRO A 43 -3.332 6.617 -11.967 1.00 62.02 H new ATOM 0 HD3 PRO A 43 -2.612 6.750 -10.376 1.00 62.02 H new ATOM 691 N ALA A 44 -3.564 3.244 -13.326 1.00 30.21 N ATOM 692 CA ALA A 44 -3.589 2.445 -14.566 1.00 33.12 C ATOM 693 C ALA A 44 -2.678 1.213 -14.451 1.00 2.15 C ATOM 694 O ALA A 44 -3.109 0.107 -14.756 1.00 52.34 O ATOM 695 CB ALA A 44 -3.188 3.300 -15.778 1.00 31.34 C ATOM 0 H ALA A 44 -3.168 4.176 -13.450 1.00 30.21 H new ATOM 0 HA ALA A 44 -4.611 2.097 -14.715 1.00 33.12 H new ATOM 0 HB1 ALA A 44 -3.214 2.688 -16.680 1.00 31.34 H new ATOM 0 HB2 ALA A 44 -3.885 4.131 -15.883 1.00 31.34 H new ATOM 0 HB3 ALA A 44 -2.180 3.688 -15.632 1.00 31.34 H new ATOM 701 N ALA A 45 -1.431 1.426 -13.970 1.00 74.44 N ATOM 702 CA ALA A 45 -0.431 0.346 -13.770 1.00 41.33 C ATOM 703 C ALA A 45 -0.856 -0.637 -12.658 1.00 12.11 C ATOM 704 O ALA A 45 -0.398 -1.790 -12.630 1.00 2.42 O ATOM 705 CB ALA A 45 0.946 0.958 -13.440 1.00 51.34 C ATOM 0 H ALA A 45 -1.088 2.350 -13.709 1.00 74.44 H new ATOM 0 HA ALA A 45 -0.366 -0.220 -14.699 1.00 41.33 H new ATOM 0 HB1 ALA A 45 1.674 0.160 -13.295 1.00 51.34 H new ATOM 0 HB2 ALA A 45 1.267 1.596 -14.263 1.00 51.34 H new ATOM 0 HB3 ALA A 45 0.872 1.551 -12.529 1.00 51.34 H new ATOM 711 N ALA A 46 -1.749 -0.166 -11.758 1.00 4.33 N ATOM 712 CA ALA A 46 -2.212 -0.925 -10.579 1.00 63.45 C ATOM 713 C ALA A 46 -3.084 -2.139 -10.929 1.00 41.33 C ATOM 714 O ALA A 46 -3.355 -2.943 -10.040 1.00 43.30 O ATOM 715 CB ALA A 46 -2.961 0.006 -9.615 1.00 30.21 C ATOM 0 H ALA A 46 -2.171 0.760 -11.832 1.00 4.33 H new ATOM 0 HA ALA A 46 -1.318 -1.322 -10.099 1.00 63.45 H new ATOM 0 HB1 ALA A 46 -3.299 -0.563 -8.749 1.00 30.21 H new ATOM 0 HB2 ALA A 46 -2.294 0.804 -9.288 1.00 30.21 H new ATOM 0 HB3 ALA A 46 -3.823 0.439 -10.123 1.00 30.21 H new ATOM 721 N PHE A 47 -3.507 -2.277 -12.211 1.00 33.54 N ATOM 722 CA PHE A 47 -4.354 -3.414 -12.672 1.00 62.41 C ATOM 723 C PHE A 47 -3.683 -4.779 -12.403 1.00 52.03 C ATOM 724 O PHE A 47 -4.363 -5.800 -12.245 1.00 31.25 O ATOM 725 CB PHE A 47 -4.707 -3.269 -14.186 1.00 45.22 C ATOM 726 CG PHE A 47 -3.585 -3.610 -15.192 1.00 31.43 C ATOM 727 CD1 PHE A 47 -2.497 -2.761 -15.379 1.00 61.33 C ATOM 728 CD2 PHE A 47 -3.628 -4.783 -15.955 1.00 12.40 C ATOM 729 CE1 PHE A 47 -1.498 -3.060 -16.291 1.00 42.23 C ATOM 730 CE2 PHE A 47 -2.627 -5.085 -16.864 1.00 62.02 C ATOM 731 CZ PHE A 47 -1.562 -4.223 -17.028 1.00 34.10 C ATOM 0 H PHE A 47 -3.275 -1.613 -12.950 1.00 33.54 H new ATOM 0 HA PHE A 47 -5.277 -3.380 -12.094 1.00 62.41 H new ATOM 0 HB2 PHE A 47 -5.563 -3.910 -14.400 1.00 45.22 H new ATOM 0 HB3 PHE A 47 -5.025 -2.242 -14.365 1.00 45.22 H new ATOM 0 HD1 PHE A 47 -2.431 -1.851 -14.801 1.00 61.33 H new ATOM 0 HD2 PHE A 47 -4.457 -5.465 -15.833 1.00 12.40 H new ATOM 0 HE1 PHE A 47 -0.669 -2.381 -16.425 1.00 42.23 H new ATOM 0 HE2 PHE A 47 -2.680 -5.995 -17.444 1.00 62.02 H new ATOM 0 HZ PHE A 47 -0.779 -4.459 -17.733 1.00 34.10 H new ATOM 741 N ARG A 48 -2.345 -4.754 -12.344 1.00 3.41 N ATOM 742 CA ARG A 48 -1.498 -5.936 -12.142 1.00 73.14 C ATOM 743 C ARG A 48 -1.678 -6.565 -10.746 1.00 23.10 C ATOM 744 O ARG A 48 -1.355 -7.737 -10.553 1.00 14.34 O ATOM 745 CB ARG A 48 -0.021 -5.532 -12.359 1.00 72.03 C ATOM 746 CG ARG A 48 0.277 -4.928 -13.744 1.00 2.33 C ATOM 747 CD ARG A 48 1.765 -4.609 -13.948 1.00 44.12 C ATOM 748 NE ARG A 48 2.295 -3.653 -12.953 1.00 45.53 N ATOM 749 CZ ARG A 48 3.596 -3.552 -12.604 1.00 24.31 C ATOM 750 NH1 ARG A 48 4.513 -4.347 -13.148 1.00 63.03 N ATOM 751 NH2 ARG A 48 3.973 -2.648 -11.713 1.00 2.13 N ATOM 0 H ARG A 48 -1.809 -3.891 -12.438 1.00 3.41 H new ATOM 0 HA ARG A 48 -1.799 -6.694 -12.865 1.00 73.14 H new ATOM 0 HB2 ARG A 48 0.262 -4.810 -11.593 1.00 72.03 H new ATOM 0 HB3 ARG A 48 0.608 -6.411 -12.216 1.00 72.03 H new ATOM 0 HG2 ARG A 48 -0.050 -5.624 -14.516 1.00 2.33 H new ATOM 0 HG3 ARG A 48 -0.306 -4.016 -13.870 1.00 2.33 H new ATOM 0 HD2 ARG A 48 2.339 -5.534 -13.896 1.00 44.12 H new ATOM 0 HD3 ARG A 48 1.909 -4.200 -14.948 1.00 44.12 H new ATOM 0 HE ARG A 48 1.632 -3.026 -12.498 1.00 45.53 H new ATOM 0 HH11 ARG A 48 4.238 -5.045 -13.839 1.00 63.03 H new ATOM 0 HH12 ARG A 48 5.492 -4.259 -12.874 1.00 63.03 H new ATOM 0 HH21 ARG A 48 3.281 -2.029 -11.291 1.00 2.13 H new ATOM 0 HH22 ARG A 48 4.955 -2.571 -11.449 1.00 2.13 H new ATOM 765 N SER A 49 -2.181 -5.779 -9.779 1.00 35.01 N ATOM 766 CA SER A 49 -2.368 -6.228 -8.397 1.00 65.13 C ATOM 767 C SER A 49 -3.722 -5.705 -7.857 1.00 60.42 C ATOM 768 O SER A 49 -3.948 -4.489 -7.845 1.00 74.12 O ATOM 769 CB SER A 49 -1.195 -5.730 -7.524 1.00 71.40 C ATOM 770 OG SER A 49 0.057 -6.146 -8.049 1.00 0.35 O ATOM 0 H SER A 49 -2.469 -4.813 -9.938 1.00 35.01 H new ATOM 0 HA SER A 49 -2.382 -7.317 -8.364 1.00 65.13 H new ATOM 0 HB2 SER A 49 -1.222 -4.642 -7.463 1.00 71.40 H new ATOM 0 HB3 SER A 49 -1.309 -6.109 -6.508 1.00 71.40 H new ATOM 0 HG SER A 49 -0.071 -6.938 -8.612 1.00 0.35 H new ATOM 776 N PRO A 50 -4.651 -6.611 -7.416 1.00 43.04 N ATOM 777 CA PRO A 50 -5.972 -6.209 -6.861 1.00 0.31 C ATOM 778 C PRO A 50 -5.852 -5.298 -5.626 1.00 63.03 C ATOM 779 O PRO A 50 -6.601 -4.317 -5.510 1.00 74.04 O ATOM 780 CB PRO A 50 -6.654 -7.555 -6.512 1.00 0.34 C ATOM 781 CG PRO A 50 -5.937 -8.570 -7.350 1.00 12.21 C ATOM 782 CD PRO A 50 -4.507 -8.092 -7.438 1.00 44.34 C ATOM 0 HA PRO A 50 -6.543 -5.614 -7.573 1.00 0.31 H new ATOM 0 HB2 PRO A 50 -6.563 -7.782 -5.450 1.00 0.34 H new ATOM 0 HB3 PRO A 50 -7.719 -7.531 -6.743 1.00 0.34 H new ATOM 0 HG2 PRO A 50 -5.992 -9.560 -6.897 1.00 12.21 H new ATOM 0 HG3 PRO A 50 -6.386 -8.647 -8.340 1.00 12.21 H new ATOM 0 HD2 PRO A 50 -3.908 -8.452 -6.602 1.00 44.34 H new ATOM 0 HD3 PRO A 50 -4.021 -8.437 -8.350 1.00 44.34 H new ATOM 790 N LEU A 51 -4.866 -5.597 -4.741 1.00 25.01 N ATOM 791 CA LEU A 51 -4.636 -4.810 -3.514 1.00 44.45 C ATOM 792 C LEU A 51 -4.184 -3.384 -3.881 1.00 12.52 C ATOM 793 O LEU A 51 -4.583 -2.427 -3.224 1.00 64.51 O ATOM 794 CB LEU A 51 -3.577 -5.479 -2.585 1.00 22.31 C ATOM 795 CG LEU A 51 -3.322 -4.756 -1.214 1.00 74.13 C ATOM 796 CD1 LEU A 51 -4.594 -4.720 -0.339 1.00 75.32 C ATOM 797 CD2 LEU A 51 -2.125 -5.371 -0.454 1.00 51.31 C ATOM 0 H LEU A 51 -4.221 -6.378 -4.860 1.00 25.01 H new ATOM 0 HA LEU A 51 -5.578 -4.768 -2.967 1.00 44.45 H new ATOM 0 HB2 LEU A 51 -3.893 -6.502 -2.382 1.00 22.31 H new ATOM 0 HB3 LEU A 51 -2.632 -5.538 -3.125 1.00 22.31 H new ATOM 0 HG LEU A 51 -3.060 -3.723 -1.444 1.00 74.13 H new ATOM 0 HD11 LEU A 51 -4.375 -4.212 0.600 1.00 75.32 H new ATOM 0 HD12 LEU A 51 -5.383 -4.184 -0.866 1.00 75.32 H new ATOM 0 HD13 LEU A 51 -4.922 -5.739 -0.132 1.00 75.32 H new ATOM 0 HD21 LEU A 51 -1.982 -4.843 0.489 1.00 51.31 H new ATOM 0 HD22 LEU A 51 -2.324 -6.424 -0.253 1.00 51.31 H new ATOM 0 HD23 LEU A 51 -1.224 -5.281 -1.061 1.00 51.31 H new ATOM 809 N ALA A 52 -3.388 -3.268 -4.969 1.00 73.24 N ATOM 810 CA ALA A 52 -2.891 -1.968 -5.468 1.00 61.44 C ATOM 811 C ALA A 52 -4.060 -1.076 -5.914 1.00 32.33 C ATOM 812 O ALA A 52 -4.107 0.102 -5.559 1.00 63.11 O ATOM 813 CB ALA A 52 -1.894 -2.171 -6.617 1.00 30.12 C ATOM 0 H ALA A 52 -3.075 -4.067 -5.521 1.00 73.24 H new ATOM 0 HA ALA A 52 -2.371 -1.467 -4.652 1.00 61.44 H new ATOM 0 HB1 ALA A 52 -1.542 -1.201 -6.968 1.00 30.12 H new ATOM 0 HB2 ALA A 52 -1.047 -2.759 -6.264 1.00 30.12 H new ATOM 0 HB3 ALA A 52 -2.385 -2.697 -7.436 1.00 30.12 H new ATOM 819 N ARG A 53 -5.020 -1.676 -6.659 1.00 54.33 N ATOM 820 CA ARG A 53 -6.252 -0.979 -7.115 1.00 71.55 C ATOM 821 C ARG A 53 -7.084 -0.497 -5.916 1.00 43.34 C ATOM 822 O ARG A 53 -7.647 0.602 -5.946 1.00 20.04 O ATOM 823 CB ARG A 53 -7.123 -1.905 -8.010 1.00 61.11 C ATOM 824 CG ARG A 53 -6.419 -2.410 -9.284 1.00 11.54 C ATOM 825 CD ARG A 53 -7.339 -3.228 -10.206 1.00 0.14 C ATOM 826 NE ARG A 53 -7.937 -4.394 -9.533 1.00 15.45 N ATOM 827 CZ ARG A 53 -7.862 -5.665 -9.961 1.00 20.52 C ATOM 828 NH1 ARG A 53 -7.206 -5.985 -11.078 1.00 11.14 N ATOM 829 NH2 ARG A 53 -8.484 -6.608 -9.274 1.00 10.54 N ATOM 0 H ARG A 53 -4.965 -2.649 -6.960 1.00 54.33 H new ATOM 0 HA ARG A 53 -5.938 -0.116 -7.702 1.00 71.55 H new ATOM 0 HB2 ARG A 53 -7.440 -2.765 -7.420 1.00 61.11 H new ATOM 0 HB3 ARG A 53 -8.025 -1.366 -8.298 1.00 61.11 H new ATOM 0 HG2 ARG A 53 -6.029 -1.556 -9.837 1.00 11.54 H new ATOM 0 HG3 ARG A 53 -5.564 -3.023 -8.999 1.00 11.54 H new ATOM 0 HD2 ARG A 53 -8.135 -2.584 -10.581 1.00 0.14 H new ATOM 0 HD3 ARG A 53 -6.769 -3.567 -11.071 1.00 0.14 H new ATOM 0 HE ARG A 53 -8.451 -4.222 -8.669 1.00 15.45 H new ATOM 0 HH11 ARG A 53 -6.748 -5.257 -11.627 1.00 11.14 H new ATOM 0 HH12 ARG A 53 -7.163 -6.957 -11.383 1.00 11.14 H new ATOM 0 HH21 ARG A 53 -9.010 -6.365 -8.434 1.00 10.54 H new ATOM 0 HH22 ARG A 53 -8.438 -7.579 -9.584 1.00 10.54 H new ATOM 843 N GLN A 54 -7.128 -1.331 -4.860 1.00 0.34 N ATOM 844 CA GLN A 54 -7.863 -1.026 -3.623 1.00 11.54 C ATOM 845 C GLN A 54 -7.190 0.123 -2.847 1.00 13.30 C ATOM 846 O GLN A 54 -7.875 0.962 -2.263 1.00 11.03 O ATOM 847 CB GLN A 54 -7.960 -2.282 -2.726 1.00 53.52 C ATOM 848 CG GLN A 54 -8.766 -3.447 -3.321 1.00 15.13 C ATOM 849 CD GLN A 54 -8.859 -4.659 -2.386 1.00 5.32 C ATOM 850 OE1 GLN A 54 -7.969 -4.909 -1.573 1.00 23.54 O ATOM 851 NE2 GLN A 54 -9.938 -5.417 -2.490 1.00 30.13 N ATOM 0 H GLN A 54 -6.654 -2.234 -4.843 1.00 0.34 H new ATOM 0 HA GLN A 54 -8.868 -0.711 -3.902 1.00 11.54 H new ATOM 0 HB2 GLN A 54 -6.951 -2.632 -2.508 1.00 53.52 H new ATOM 0 HB3 GLN A 54 -8.411 -1.997 -1.775 1.00 53.52 H new ATOM 0 HG2 GLN A 54 -9.772 -3.101 -3.557 1.00 15.13 H new ATOM 0 HG3 GLN A 54 -8.307 -3.756 -4.260 1.00 15.13 H new ATOM 0 HE21 GLN A 54 -10.660 -5.186 -3.173 1.00 30.13 H new ATOM 0 HE22 GLN A 54 -10.048 -6.233 -1.887 1.00 30.13 H new ATOM 860 N LEU A 55 -5.845 0.155 -2.852 1.00 62.24 N ATOM 861 CA LEU A 55 -5.071 1.204 -2.158 1.00 42.24 C ATOM 862 C LEU A 55 -5.216 2.557 -2.888 1.00 40.33 C ATOM 863 O LEU A 55 -5.325 3.589 -2.241 1.00 44.14 O ATOM 864 CB LEU A 55 -3.579 0.786 -1.994 1.00 13.30 C ATOM 865 CG LEU A 55 -3.310 -0.457 -1.073 1.00 74.10 C ATOM 866 CD1 LEU A 55 -1.807 -0.817 -1.030 1.00 51.02 C ATOM 867 CD2 LEU A 55 -3.879 -0.247 0.349 1.00 21.25 C ATOM 0 H LEU A 55 -5.268 -0.536 -3.331 1.00 62.24 H new ATOM 0 HA LEU A 55 -5.478 1.327 -1.154 1.00 42.24 H new ATOM 0 HB2 LEU A 55 -3.170 0.576 -2.982 1.00 13.30 H new ATOM 0 HB3 LEU A 55 -3.026 1.636 -1.594 1.00 13.30 H new ATOM 0 HG LEU A 55 -3.837 -1.303 -1.513 1.00 74.10 H new ATOM 0 HD11 LEU A 55 -1.658 -1.682 -0.383 1.00 51.02 H new ATOM 0 HD12 LEU A 55 -1.460 -1.053 -2.036 1.00 51.02 H new ATOM 0 HD13 LEU A 55 -1.241 0.029 -0.640 1.00 51.02 H new ATOM 0 HD21 LEU A 55 -3.673 -1.128 0.957 1.00 21.25 H new ATOM 0 HD22 LEU A 55 -3.409 0.625 0.804 1.00 21.25 H new ATOM 0 HD23 LEU A 55 -4.956 -0.090 0.290 1.00 21.25 H new ATOM 879 N PHE A 56 -5.273 2.534 -4.233 1.00 2.53 N ATOM 880 CA PHE A 56 -5.527 3.754 -5.048 1.00 11.22 C ATOM 881 C PHE A 56 -6.985 4.260 -4.893 1.00 44.00 C ATOM 882 O PHE A 56 -7.263 5.431 -5.159 1.00 52.42 O ATOM 883 CB PHE A 56 -5.191 3.506 -6.551 1.00 74.45 C ATOM 884 CG PHE A 56 -3.703 3.629 -6.895 1.00 42.13 C ATOM 885 CD1 PHE A 56 -3.118 4.885 -7.061 1.00 25.45 C ATOM 886 CD2 PHE A 56 -2.899 2.509 -7.071 1.00 35.14 C ATOM 887 CE1 PHE A 56 -1.785 5.005 -7.392 1.00 32.20 C ATOM 888 CE2 PHE A 56 -1.565 2.632 -7.398 1.00 31.00 C ATOM 889 CZ PHE A 56 -1.010 3.879 -7.559 1.00 75.15 C ATOM 0 H PHE A 56 -5.147 1.686 -4.786 1.00 2.53 H new ATOM 0 HA PHE A 56 -4.865 4.533 -4.670 1.00 11.22 H new ATOM 0 HB2 PHE A 56 -5.534 2.509 -6.828 1.00 74.45 H new ATOM 0 HB3 PHE A 56 -5.752 4.216 -7.158 1.00 74.45 H new ATOM 0 HD1 PHE A 56 -3.717 5.774 -6.929 1.00 25.45 H new ATOM 0 HD2 PHE A 56 -3.327 1.525 -6.949 1.00 35.14 H new ATOM 0 HE1 PHE A 56 -1.348 5.984 -7.521 1.00 32.20 H new ATOM 0 HE2 PHE A 56 -0.957 1.749 -7.528 1.00 31.00 H new ATOM 0 HZ PHE A 56 0.034 3.976 -7.817 1.00 75.15 H new ATOM 899 N ARG A 57 -7.909 3.366 -4.484 1.00 73.43 N ATOM 900 CA ARG A 57 -9.307 3.740 -4.132 1.00 53.42 C ATOM 901 C ARG A 57 -9.376 4.588 -2.848 1.00 45.34 C ATOM 902 O ARG A 57 -10.385 5.264 -2.609 1.00 23.24 O ATOM 903 CB ARG A 57 -10.183 2.472 -3.956 1.00 5.31 C ATOM 904 CG ARG A 57 -10.615 1.801 -5.275 1.00 55.40 C ATOM 905 CD ARG A 57 -11.245 0.420 -5.044 1.00 51.31 C ATOM 906 NE ARG A 57 -12.379 0.454 -4.098 1.00 42.43 N ATOM 907 CZ ARG A 57 -13.107 -0.617 -3.733 1.00 32.21 C ATOM 908 NH1 ARG A 57 -12.849 -1.829 -4.234 1.00 32.11 N ATOM 909 NH2 ARG A 57 -14.081 -0.472 -2.846 1.00 23.42 N ATOM 0 H ARG A 57 -7.715 2.369 -4.387 1.00 73.43 H new ATOM 0 HA ARG A 57 -9.689 4.341 -4.957 1.00 53.42 H new ATOM 0 HB2 ARG A 57 -9.632 1.746 -3.358 1.00 5.31 H new ATOM 0 HB3 ARG A 57 -11.076 2.739 -3.390 1.00 5.31 H new ATOM 0 HG2 ARG A 57 -11.330 2.443 -5.790 1.00 55.40 H new ATOM 0 HG3 ARG A 57 -9.749 1.699 -5.929 1.00 55.40 H new ATOM 0 HD2 ARG A 57 -11.587 0.018 -5.998 1.00 51.31 H new ATOM 0 HD3 ARG A 57 -10.484 -0.262 -4.666 1.00 51.31 H new ATOM 0 HE ARG A 57 -12.628 1.356 -3.692 1.00 42.43 H new ATOM 0 HH11 ARG A 57 -12.090 -1.953 -4.904 1.00 32.11 H new ATOM 0 HH12 ARG A 57 -13.411 -2.630 -3.946 1.00 32.11 H new ATOM 0 HH21 ARG A 57 -14.274 0.446 -2.446 1.00 23.42 H new ATOM 0 HH22 ARG A 57 -14.638 -1.279 -2.564 1.00 23.42 H new ATOM 923 N ILE A 58 -8.307 4.546 -2.035 1.00 54.44 N ATOM 924 CA ILE A 58 -8.222 5.296 -0.779 1.00 43.21 C ATOM 925 C ILE A 58 -7.867 6.743 -1.144 1.00 24.22 C ATOM 926 O ILE A 58 -6.773 6.995 -1.662 1.00 40.52 O ATOM 927 CB ILE A 58 -7.148 4.672 0.204 1.00 22.14 C ATOM 928 CG1 ILE A 58 -7.381 3.126 0.340 1.00 13.42 C ATOM 929 CG2 ILE A 58 -7.154 5.381 1.586 1.00 74.40 C ATOM 930 CD1 ILE A 58 -6.448 2.402 1.296 1.00 31.00 C ATOM 0 H ILE A 58 -7.477 3.988 -2.235 1.00 54.44 H new ATOM 0 HA ILE A 58 -9.173 5.254 -0.249 1.00 43.21 H new ATOM 0 HB ILE A 58 -6.157 4.833 -0.221 1.00 22.14 H new ATOM 0 HG12 ILE A 58 -8.407 2.959 0.667 1.00 13.42 H new ATOM 0 HG13 ILE A 58 -7.283 2.674 -0.647 1.00 13.42 H new ATOM 0 HG21 ILE A 58 -6.404 4.925 2.232 1.00 74.40 H new ATOM 0 HG22 ILE A 58 -6.924 6.438 1.454 1.00 74.40 H new ATOM 0 HG23 ILE A 58 -8.138 5.278 2.043 1.00 74.40 H new ATOM 0 HD11 ILE A 58 -6.697 1.341 1.313 1.00 31.00 H new ATOM 0 HD12 ILE A 58 -5.417 2.528 0.964 1.00 31.00 H new ATOM 0 HD13 ILE A 58 -6.560 2.817 2.298 1.00 31.00 H new ATOM 942 N GLU A 59 -8.829 7.663 -0.927 1.00 75.53 N ATOM 943 CA GLU A 59 -8.707 9.077 -1.309 1.00 43.22 C ATOM 944 C GLU A 59 -7.587 9.746 -0.490 1.00 30.13 C ATOM 945 O GLU A 59 -7.802 10.201 0.643 1.00 40.53 O ATOM 946 CB GLU A 59 -10.063 9.806 -1.115 1.00 61.44 C ATOM 947 CG GLU A 59 -11.229 9.199 -1.928 1.00 0.42 C ATOM 948 CD GLU A 59 -12.572 9.894 -1.665 1.00 23.23 C ATOM 949 OE1 GLU A 59 -13.126 9.718 -0.555 1.00 73.02 O ATOM 950 OE2 GLU A 59 -13.083 10.614 -2.553 1.00 74.23 O ATOM 0 H GLU A 59 -9.717 7.440 -0.478 1.00 75.53 H new ATOM 0 HA GLU A 59 -8.442 9.144 -2.364 1.00 43.22 H new ATOM 0 HB2 GLU A 59 -10.324 9.788 -0.057 1.00 61.44 H new ATOM 0 HB3 GLU A 59 -9.944 10.852 -1.397 1.00 61.44 H new ATOM 0 HG2 GLU A 59 -10.995 9.263 -2.991 1.00 0.42 H new ATOM 0 HG3 GLU A 59 -11.321 8.140 -1.685 1.00 0.42 H new ATOM 957 N GLY A 60 -6.386 9.737 -1.069 1.00 30.05 N ATOM 958 CA GLY A 60 -5.190 10.252 -0.430 1.00 12.12 C ATOM 959 C GLY A 60 -3.936 9.597 -0.988 1.00 4.24 C ATOM 960 O GLY A 60 -2.874 10.212 -0.990 1.00 55.24 O ATOM 0 H GLY A 60 -6.222 9.366 -2.005 1.00 30.05 H new ATOM 0 HA2 GLY A 60 -5.134 11.331 -0.575 1.00 12.12 H new ATOM 0 HA3 GLY A 60 -5.246 10.077 0.644 1.00 12.12 H new ATOM 964 N VAL A 61 -4.067 8.340 -1.455 1.00 61.33 N ATOM 965 CA VAL A 61 -2.949 7.556 -2.005 1.00 62.24 C ATOM 966 C VAL A 61 -2.631 8.002 -3.448 1.00 33.00 C ATOM 967 O VAL A 61 -3.483 7.906 -4.338 1.00 54.53 O ATOM 968 CB VAL A 61 -3.276 6.017 -1.961 1.00 0.42 C ATOM 969 CG1 VAL A 61 -2.177 5.163 -2.648 1.00 33.30 C ATOM 970 CG2 VAL A 61 -3.521 5.563 -0.497 1.00 21.03 C ATOM 0 H VAL A 61 -4.956 7.840 -1.460 1.00 61.33 H new ATOM 0 HA VAL A 61 -2.069 7.737 -1.388 1.00 62.24 H new ATOM 0 HB VAL A 61 -4.191 5.854 -2.531 1.00 0.42 H new ATOM 0 HG11 VAL A 61 -2.447 4.109 -2.592 1.00 33.30 H new ATOM 0 HG12 VAL A 61 -2.086 5.459 -3.693 1.00 33.30 H new ATOM 0 HG13 VAL A 61 -1.224 5.321 -2.142 1.00 33.30 H new ATOM 0 HG21 VAL A 61 -3.746 4.497 -0.480 1.00 21.03 H new ATOM 0 HG22 VAL A 61 -2.628 5.755 0.098 1.00 21.03 H new ATOM 0 HG23 VAL A 61 -4.361 6.118 -0.080 1.00 21.03 H new ATOM 980 N LYS A 62 -1.404 8.504 -3.646 1.00 30.01 N ATOM 981 CA LYS A 62 -0.906 8.999 -4.944 1.00 11.30 C ATOM 982 C LYS A 62 -0.165 7.887 -5.714 1.00 52.14 C ATOM 983 O LYS A 62 -0.258 7.817 -6.947 1.00 51.24 O ATOM 984 CB LYS A 62 0.022 10.223 -4.702 1.00 42.55 C ATOM 985 CG LYS A 62 0.572 10.929 -5.968 1.00 73.31 C ATOM 986 CD LYS A 62 -0.547 11.381 -6.937 1.00 2.23 C ATOM 987 CE LYS A 62 -0.041 12.355 -8.013 1.00 50.25 C ATOM 988 NZ LYS A 62 0.410 13.642 -7.416 1.00 30.21 N ATOM 0 H LYS A 62 -0.715 8.580 -2.898 1.00 30.01 H new ATOM 0 HA LYS A 62 -1.753 9.307 -5.557 1.00 11.30 H new ATOM 0 HB2 LYS A 62 -0.527 10.957 -4.112 1.00 42.55 H new ATOM 0 HB3 LYS A 62 0.868 9.897 -4.097 1.00 42.55 H new ATOM 0 HG2 LYS A 62 1.159 11.797 -5.668 1.00 73.31 H new ATOM 0 HG3 LYS A 62 1.248 10.252 -6.491 1.00 73.31 H new ATOM 0 HD2 LYS A 62 -0.980 10.505 -7.420 1.00 2.23 H new ATOM 0 HD3 LYS A 62 -1.345 11.858 -6.367 1.00 2.23 H new ATOM 0 HE2 LYS A 62 0.784 11.898 -8.560 1.00 50.25 H new ATOM 0 HE3 LYS A 62 -0.835 12.546 -8.735 1.00 50.25 H new ATOM 0 HZ1 LYS A 62 0.503 14.358 -8.164 1.00 30.21 H new ATOM 0 HZ2 LYS A 62 -0.288 13.963 -6.714 1.00 30.21 H new ATOM 0 HZ3 LYS A 62 1.330 13.506 -6.952 1.00 30.21 H new ATOM 1002 N SER A 63 0.557 7.024 -4.978 1.00 52.15 N ATOM 1003 CA SER A 63 1.334 5.915 -5.571 1.00 24.30 C ATOM 1004 C SER A 63 1.560 4.787 -4.545 1.00 14.33 C ATOM 1005 O SER A 63 1.621 5.037 -3.332 1.00 42.54 O ATOM 1006 CB SER A 63 2.682 6.431 -6.135 1.00 74.43 C ATOM 1007 OG SER A 63 3.464 7.071 -5.140 1.00 5.04 O ATOM 0 H SER A 63 0.620 7.073 -3.961 1.00 52.15 H new ATOM 0 HA SER A 63 0.756 5.502 -6.398 1.00 24.30 H new ATOM 0 HB2 SER A 63 3.243 5.596 -6.555 1.00 74.43 H new ATOM 0 HB3 SER A 63 2.491 7.129 -6.950 1.00 74.43 H new ATOM 0 HG SER A 63 4.306 7.380 -5.535 1.00 5.04 H new ATOM 1013 N VAL A 64 1.662 3.537 -5.053 1.00 62.54 N ATOM 1014 CA VAL A 64 1.898 2.319 -4.240 1.00 31.22 C ATOM 1015 C VAL A 64 3.152 1.587 -4.757 1.00 33.32 C ATOM 1016 O VAL A 64 3.402 1.555 -5.956 1.00 61.20 O ATOM 1017 CB VAL A 64 0.661 1.327 -4.303 1.00 25.21 C ATOM 1018 CG1 VAL A 64 0.913 0.027 -3.496 1.00 4.33 C ATOM 1019 CG2 VAL A 64 -0.639 2.021 -3.840 1.00 33.02 C ATOM 0 H VAL A 64 1.582 3.342 -6.051 1.00 62.54 H new ATOM 0 HA VAL A 64 2.038 2.632 -3.205 1.00 31.22 H new ATOM 0 HB VAL A 64 0.539 1.040 -5.347 1.00 25.21 H new ATOM 0 HG11 VAL A 64 0.040 -0.621 -3.568 1.00 4.33 H new ATOM 0 HG12 VAL A 64 1.783 -0.490 -3.901 1.00 4.33 H new ATOM 0 HG13 VAL A 64 1.094 0.277 -2.451 1.00 4.33 H new ATOM 0 HG21 VAL A 64 -1.468 1.315 -3.895 1.00 33.02 H new ATOM 0 HG22 VAL A 64 -0.522 2.364 -2.812 1.00 33.02 H new ATOM 0 HG23 VAL A 64 -0.846 2.874 -4.486 1.00 33.02 H new ATOM 1029 N PHE A 65 3.931 1.006 -3.836 1.00 14.05 N ATOM 1030 CA PHE A 65 5.076 0.140 -4.164 1.00 54.04 C ATOM 1031 C PHE A 65 5.044 -1.096 -3.250 1.00 60.23 C ATOM 1032 O PHE A 65 5.065 -0.958 -2.026 1.00 1.25 O ATOM 1033 CB PHE A 65 6.409 0.921 -3.985 1.00 52.35 C ATOM 1034 CG PHE A 65 7.670 0.095 -4.280 1.00 61.41 C ATOM 1035 CD1 PHE A 65 8.092 -0.109 -5.591 1.00 24.25 C ATOM 1036 CD2 PHE A 65 8.426 -0.480 -3.249 1.00 41.02 C ATOM 1037 CE1 PHE A 65 9.221 -0.856 -5.868 1.00 15.21 C ATOM 1038 CE2 PHE A 65 9.555 -1.227 -3.530 1.00 41.51 C ATOM 1039 CZ PHE A 65 9.951 -1.412 -4.838 1.00 33.42 C ATOM 0 H PHE A 65 3.785 1.123 -2.833 1.00 14.05 H new ATOM 0 HA PHE A 65 5.010 -0.179 -5.204 1.00 54.04 H new ATOM 0 HB2 PHE A 65 6.397 1.791 -4.641 1.00 52.35 H new ATOM 0 HB3 PHE A 65 6.464 1.293 -2.962 1.00 52.35 H new ATOM 0 HD1 PHE A 65 7.528 0.323 -6.404 1.00 24.25 H new ATOM 0 HD2 PHE A 65 8.123 -0.338 -2.222 1.00 41.02 H new ATOM 0 HE1 PHE A 65 9.532 -1.005 -6.891 1.00 15.21 H new ATOM 0 HE2 PHE A 65 10.127 -1.666 -2.725 1.00 41.51 H new ATOM 0 HZ PHE A 65 10.835 -1.993 -5.056 1.00 33.42 H new ATOM 1049 N PHE A 66 4.978 -2.296 -3.847 1.00 22.34 N ATOM 1050 CA PHE A 66 5.070 -3.565 -3.097 1.00 22.03 C ATOM 1051 C PHE A 66 6.521 -4.082 -3.121 1.00 72.25 C ATOM 1052 O PHE A 66 7.187 -4.039 -4.165 1.00 61.50 O ATOM 1053 CB PHE A 66 4.118 -4.640 -3.688 1.00 51.10 C ATOM 1054 CG PHE A 66 2.620 -4.358 -3.560 1.00 15.45 C ATOM 1055 CD1 PHE A 66 2.106 -3.673 -2.463 1.00 60.32 C ATOM 1056 CD2 PHE A 66 1.723 -4.780 -4.547 1.00 71.44 C ATOM 1057 CE1 PHE A 66 0.751 -3.426 -2.348 1.00 52.10 C ATOM 1058 CE2 PHE A 66 0.368 -4.527 -4.428 1.00 55.40 C ATOM 1059 CZ PHE A 66 -0.115 -3.846 -3.334 1.00 14.41 C ATOM 0 H PHE A 66 4.861 -2.417 -4.853 1.00 22.34 H new ATOM 0 HA PHE A 66 4.767 -3.373 -2.068 1.00 22.03 H new ATOM 0 HB2 PHE A 66 4.354 -4.764 -4.745 1.00 51.10 H new ATOM 0 HB3 PHE A 66 4.331 -5.591 -3.200 1.00 51.10 H new ATOM 0 HD1 PHE A 66 2.776 -3.329 -1.689 1.00 60.32 H new ATOM 0 HD2 PHE A 66 2.093 -5.310 -5.412 1.00 71.44 H new ATOM 0 HE1 PHE A 66 0.370 -2.903 -1.483 1.00 52.10 H new ATOM 0 HE2 PHE A 66 -0.312 -4.865 -5.196 1.00 55.40 H new ATOM 0 HZ PHE A 66 -1.172 -3.641 -3.248 1.00 14.41 H new ATOM 1069 N GLY A 67 6.979 -4.575 -1.959 1.00 13.11 N ATOM 1070 CA GLY A 67 8.323 -5.124 -1.783 1.00 3.53 C ATOM 1071 C GLY A 67 8.320 -6.308 -0.809 1.00 4.04 C ATOM 1072 O GLY A 67 7.270 -6.622 -0.239 1.00 53.22 O ATOM 0 H GLY A 67 6.416 -4.601 -1.109 1.00 13.11 H new ATOM 0 HA2 GLY A 67 8.716 -5.445 -2.748 1.00 3.53 H new ATOM 0 HA3 GLY A 67 8.990 -4.346 -1.411 1.00 3.53 H new ATOM 1076 N PRO A 68 9.482 -6.992 -0.583 1.00 24.14 N ATOM 1077 CA PRO A 68 9.561 -8.175 0.314 1.00 43.02 C ATOM 1078 C PRO A 68 9.172 -7.827 1.764 1.00 61.44 C ATOM 1079 O PRO A 68 9.871 -7.049 2.431 1.00 0.20 O ATOM 1080 CB PRO A 68 11.039 -8.628 0.195 1.00 40.24 C ATOM 1081 CG PRO A 68 11.780 -7.416 -0.284 1.00 2.15 C ATOM 1082 CD PRO A 68 10.807 -6.655 -1.164 1.00 33.30 C ATOM 0 HA PRO A 68 8.862 -8.962 0.032 1.00 43.02 H new ATOM 0 HB2 PRO A 68 11.425 -8.972 1.155 1.00 40.24 H new ATOM 0 HB3 PRO A 68 11.143 -9.456 -0.506 1.00 40.24 H new ATOM 0 HG2 PRO A 68 12.110 -6.803 0.555 1.00 2.15 H new ATOM 0 HG3 PRO A 68 12.672 -7.699 -0.842 1.00 2.15 H new ATOM 0 HD2 PRO A 68 10.996 -5.582 -1.138 1.00 33.30 H new ATOM 0 HD3 PRO A 68 10.880 -6.966 -2.206 1.00 33.30 H new ATOM 1090 N ASP A 69 7.977 -8.321 2.176 1.00 41.34 N ATOM 1091 CA ASP A 69 7.462 -8.263 3.576 1.00 62.32 C ATOM 1092 C ASP A 69 7.037 -6.831 3.992 1.00 70.13 C ATOM 1093 O ASP A 69 6.553 -6.610 5.108 1.00 53.11 O ATOM 1094 CB ASP A 69 8.511 -8.890 4.558 1.00 1.51 C ATOM 1095 CG ASP A 69 8.010 -9.079 6.005 1.00 54.13 C ATOM 1096 OD1 ASP A 69 7.273 -10.054 6.267 1.00 32.24 O ATOM 1097 OD2 ASP A 69 8.398 -8.288 6.896 1.00 53.42 O ATOM 0 H ASP A 69 7.329 -8.780 1.536 1.00 41.34 H new ATOM 0 HA ASP A 69 6.551 -8.860 3.629 1.00 62.32 H new ATOM 0 HB2 ASP A 69 8.821 -9.859 4.166 1.00 1.51 H new ATOM 0 HB3 ASP A 69 9.397 -8.255 4.575 1.00 1.51 H new ATOM 1102 N SER A 70 7.145 -5.876 3.057 1.00 42.43 N ATOM 1103 CA SER A 70 6.891 -4.455 3.323 1.00 64.14 C ATOM 1104 C SER A 70 6.240 -3.788 2.100 1.00 71.34 C ATOM 1105 O SER A 70 6.534 -4.133 0.955 1.00 63.10 O ATOM 1106 CB SER A 70 8.221 -3.753 3.692 1.00 24.34 C ATOM 1107 OG SER A 70 9.222 -3.980 2.706 1.00 43.21 O ATOM 0 H SER A 70 7.412 -6.070 2.092 1.00 42.43 H new ATOM 0 HA SER A 70 6.200 -4.363 4.161 1.00 64.14 H new ATOM 0 HB2 SER A 70 8.051 -2.682 3.799 1.00 24.34 H new ATOM 0 HB3 SER A 70 8.571 -4.118 4.658 1.00 24.34 H new ATOM 0 HG SER A 70 9.463 -4.930 2.697 1.00 43.21 H new ATOM 1113 N ILE A 71 5.342 -2.842 2.376 1.00 23.04 N ATOM 1114 CA ILE A 71 4.648 -2.022 1.362 1.00 4.11 C ATOM 1115 C ILE A 71 5.038 -0.554 1.627 1.00 33.35 C ATOM 1116 O ILE A 71 5.375 -0.212 2.753 1.00 25.04 O ATOM 1117 CB ILE A 71 3.074 -2.224 1.468 1.00 15.33 C ATOM 1118 CG1 ILE A 71 2.707 -3.741 1.285 1.00 31.14 C ATOM 1119 CG2 ILE A 71 2.295 -1.329 0.465 1.00 65.41 C ATOM 1120 CD1 ILE A 71 1.234 -4.086 1.456 1.00 41.14 C ATOM 0 H ILE A 71 5.065 -2.613 3.331 1.00 23.04 H new ATOM 0 HA ILE A 71 4.939 -2.316 0.354 1.00 4.11 H new ATOM 0 HB ILE A 71 2.767 -1.908 2.465 1.00 15.33 H new ATOM 0 HG12 ILE A 71 3.022 -4.055 0.290 1.00 31.14 H new ATOM 0 HG13 ILE A 71 3.284 -4.325 2.002 1.00 31.14 H new ATOM 0 HG21 ILE A 71 1.225 -1.504 0.577 1.00 65.41 H new ATOM 0 HG22 ILE A 71 2.515 -0.281 0.667 1.00 65.41 H new ATOM 0 HG23 ILE A 71 2.598 -1.574 -0.553 1.00 65.41 H new ATOM 0 HD11 ILE A 71 1.092 -5.157 1.309 1.00 41.14 H new ATOM 0 HD12 ILE A 71 0.910 -3.811 2.460 1.00 41.14 H new ATOM 0 HD13 ILE A 71 0.644 -3.537 0.722 1.00 41.14 H new ATOM 1132 N THR A 72 5.054 0.290 0.591 1.00 10.40 N ATOM 1133 CA THR A 72 5.348 1.724 0.727 1.00 52.35 C ATOM 1134 C THR A 72 4.277 2.522 -0.034 1.00 42.01 C ATOM 1135 O THR A 72 4.133 2.373 -1.248 1.00 64.43 O ATOM 1136 CB THR A 72 6.779 2.063 0.182 1.00 3.04 C ATOM 1137 OG1 THR A 72 7.752 1.234 0.845 1.00 32.42 O ATOM 1138 CG2 THR A 72 7.147 3.548 0.399 1.00 42.25 C ATOM 0 H THR A 72 4.863 -0.000 -0.368 1.00 10.40 H new ATOM 0 HA THR A 72 5.330 1.995 1.783 1.00 52.35 H new ATOM 0 HB THR A 72 6.777 1.872 -0.891 1.00 3.04 H new ATOM 0 HG1 THR A 72 8.647 1.444 0.504 1.00 32.42 H new ATOM 0 HG21 THR A 72 8.146 3.736 0.006 1.00 42.25 H new ATOM 0 HG22 THR A 72 6.428 4.181 -0.121 1.00 42.25 H new ATOM 0 HG23 THR A 72 7.127 3.776 1.465 1.00 42.25 H new ATOM 1146 N VAL A 73 3.524 3.356 0.699 1.00 65.15 N ATOM 1147 CA VAL A 73 2.436 4.181 0.147 1.00 35.24 C ATOM 1148 C VAL A 73 2.859 5.655 0.247 1.00 64.54 C ATOM 1149 O VAL A 73 3.452 6.057 1.247 1.00 64.45 O ATOM 1150 CB VAL A 73 1.082 3.944 0.933 1.00 45.24 C ATOM 1151 CG1 VAL A 73 -0.034 4.909 0.477 1.00 63.11 C ATOM 1152 CG2 VAL A 73 0.618 2.469 0.820 1.00 54.33 C ATOM 0 H VAL A 73 3.654 3.479 1.703 1.00 65.15 H new ATOM 0 HA VAL A 73 2.260 3.904 -0.892 1.00 35.24 H new ATOM 0 HB VAL A 73 1.285 4.159 1.982 1.00 45.24 H new ATOM 0 HG11 VAL A 73 -0.943 4.708 1.044 1.00 63.11 H new ATOM 0 HG12 VAL A 73 0.282 5.938 0.650 1.00 63.11 H new ATOM 0 HG13 VAL A 73 -0.230 4.763 -0.585 1.00 63.11 H new ATOM 0 HG21 VAL A 73 -0.314 2.338 1.370 1.00 54.33 H new ATOM 0 HG22 VAL A 73 0.459 2.217 -0.228 1.00 54.33 H new ATOM 0 HG23 VAL A 73 1.382 1.814 1.239 1.00 54.33 H new ATOM 1162 N THR A 74 2.579 6.434 -0.803 1.00 63.45 N ATOM 1163 CA THR A 74 2.835 7.880 -0.832 1.00 61.54 C ATOM 1164 C THR A 74 1.487 8.635 -0.872 1.00 41.51 C ATOM 1165 O THR A 74 0.538 8.168 -1.515 1.00 32.33 O ATOM 1166 CB THR A 74 3.714 8.257 -2.071 1.00 13.21 C ATOM 1167 OG1 THR A 74 4.904 7.439 -2.096 1.00 10.50 O ATOM 1168 CG2 THR A 74 4.132 9.740 -2.070 1.00 72.12 C ATOM 0 H THR A 74 2.165 6.077 -1.664 1.00 63.45 H new ATOM 0 HA THR A 74 3.381 8.167 0.066 1.00 61.54 H new ATOM 0 HB THR A 74 3.104 8.080 -2.957 1.00 13.21 H new ATOM 0 HG1 THR A 74 5.449 7.678 -2.874 1.00 10.50 H new ATOM 0 HG21 THR A 74 4.740 9.947 -2.951 1.00 72.12 H new ATOM 0 HG22 THR A 74 3.242 10.369 -2.087 1.00 72.12 H new ATOM 0 HG23 THR A 74 4.710 9.954 -1.171 1.00 72.12 H new ATOM 1176 N LYS A 75 1.417 9.783 -0.167 1.00 51.14 N ATOM 1177 CA LYS A 75 0.215 10.637 -0.101 1.00 32.52 C ATOM 1178 C LYS A 75 0.181 11.620 -1.285 1.00 5.14 C ATOM 1179 O LYS A 75 1.176 11.802 -1.997 1.00 63.41 O ATOM 1180 CB LYS A 75 0.182 11.412 1.257 1.00 21.12 C ATOM 1181 CG LYS A 75 1.259 12.518 1.392 1.00 35.14 C ATOM 1182 CD LYS A 75 1.276 13.204 2.784 1.00 64.33 C ATOM 1183 CE LYS A 75 1.697 12.260 3.916 1.00 73.22 C ATOM 1184 NZ LYS A 75 1.830 12.963 5.227 1.00 31.43 N ATOM 0 H LYS A 75 2.200 10.146 0.377 1.00 51.14 H new ATOM 0 HA LYS A 75 -0.668 10.001 -0.163 1.00 32.52 H new ATOM 0 HB2 LYS A 75 -0.802 11.864 1.379 1.00 21.12 H new ATOM 0 HB3 LYS A 75 0.308 10.698 2.071 1.00 21.12 H new ATOM 0 HG2 LYS A 75 2.240 12.084 1.199 1.00 35.14 H new ATOM 0 HG3 LYS A 75 1.089 13.274 0.626 1.00 35.14 H new ATOM 0 HD2 LYS A 75 1.958 14.054 2.755 1.00 64.33 H new ATOM 0 HD3 LYS A 75 0.283 13.600 2.999 1.00 64.33 H new ATOM 0 HE2 LYS A 75 0.963 11.460 4.009 1.00 73.22 H new ATOM 0 HE3 LYS A 75 2.648 11.792 3.660 1.00 73.22 H new ATOM 0 HZ1 LYS A 75 2.067 12.273 5.968 1.00 31.43 H new ATOM 0 HZ2 LYS A 75 2.585 13.676 5.164 1.00 31.43 H new ATOM 0 HZ3 LYS A 75 0.931 13.430 5.463 1.00 31.43 H new ATOM 1198 N GLU A 76 -0.983 12.242 -1.461 1.00 12.40 N ATOM 1199 CA GLU A 76 -1.276 13.163 -2.571 1.00 60.33 C ATOM 1200 C GLU A 76 -0.593 14.524 -2.351 1.00 71.33 C ATOM 1201 O GLU A 76 0.130 15.027 -3.219 1.00 71.43 O ATOM 1202 CB GLU A 76 -2.838 13.308 -2.705 1.00 12.02 C ATOM 1203 CG GLU A 76 -3.420 12.919 -4.069 1.00 4.35 C ATOM 1204 CD GLU A 76 -3.148 13.954 -5.179 1.00 13.02 C ATOM 1205 OE1 GLU A 76 -2.006 14.048 -5.675 1.00 11.15 O ATOM 1206 OE2 GLU A 76 -4.078 14.701 -5.545 1.00 52.33 O ATOM 0 H GLU A 76 -1.771 12.121 -0.824 1.00 12.40 H new ATOM 0 HA GLU A 76 -0.876 12.761 -3.502 1.00 60.33 H new ATOM 0 HB2 GLU A 76 -3.310 12.693 -1.939 1.00 12.02 H new ATOM 0 HB3 GLU A 76 -3.109 14.343 -2.495 1.00 12.02 H new ATOM 0 HG2 GLU A 76 -3.003 11.958 -4.371 1.00 4.35 H new ATOM 0 HG3 GLU A 76 -4.497 12.782 -3.969 1.00 4.35 H new ATOM 1213 N ASN A 77 -0.838 15.097 -1.168 1.00 1.23 N ATOM 1214 CA ASN A 77 -0.297 16.400 -0.741 1.00 62.34 C ATOM 1215 C ASN A 77 0.007 16.345 0.762 1.00 21.11 C ATOM 1216 O ASN A 77 -0.567 15.521 1.483 1.00 22.11 O ATOM 1217 CB ASN A 77 -1.291 17.557 -1.082 1.00 4.50 C ATOM 1218 CG ASN A 77 -2.720 17.364 -0.535 1.00 14.52 C ATOM 1219 OD1 ASN A 77 -3.220 16.246 -0.422 1.00 43.33 O ATOM 1220 ND2 ASN A 77 -3.400 18.457 -0.216 1.00 14.13 N ATOM 0 H ASN A 77 -1.431 14.661 -0.462 1.00 1.23 H new ATOM 0 HA ASN A 77 0.626 16.606 -1.282 1.00 62.34 H new ATOM 0 HB2 ASN A 77 -0.889 18.490 -0.688 1.00 4.50 H new ATOM 0 HB3 ASN A 77 -1.343 17.665 -2.165 1.00 4.50 H new ATOM 0 HD21 ASN A 77 -4.356 18.380 0.130 1.00 14.13 H new ATOM 0 HD22 ASN A 77 -2.967 19.375 -0.317 1.00 14.13 H new ATOM 1227 N GLU A 78 0.893 17.249 1.219 1.00 40.41 N ATOM 1228 CA GLU A 78 1.420 17.278 2.610 1.00 65.32 C ATOM 1229 C GLU A 78 0.317 17.570 3.652 1.00 42.53 C ATOM 1230 O GLU A 78 0.494 17.300 4.839 1.00 25.50 O ATOM 1231 CB GLU A 78 2.523 18.357 2.713 1.00 75.12 C ATOM 1232 CG GLU A 78 3.682 18.200 1.706 1.00 62.43 C ATOM 1233 CD GLU A 78 4.641 19.399 1.716 1.00 21.44 C ATOM 1234 OE1 GLU A 78 4.189 20.525 1.407 1.00 62.02 O ATOM 1235 OE2 GLU A 78 5.837 19.226 2.046 1.00 71.55 O ATOM 0 H GLU A 78 1.272 17.992 0.631 1.00 40.41 H new ATOM 0 HA GLU A 78 1.824 16.290 2.831 1.00 65.32 H new ATOM 0 HB2 GLU A 78 2.067 19.337 2.570 1.00 75.12 H new ATOM 0 HB3 GLU A 78 2.934 18.341 3.723 1.00 75.12 H new ATOM 0 HG2 GLU A 78 4.239 17.292 1.938 1.00 62.43 H new ATOM 0 HG3 GLU A 78 3.273 18.075 0.703 1.00 62.43 H new ATOM 1242 N GLU A 79 -0.818 18.121 3.185 1.00 70.00 N ATOM 1243 CA GLU A 79 -1.968 18.472 4.041 1.00 43.14 C ATOM 1244 C GLU A 79 -2.702 17.210 4.544 1.00 1.20 C ATOM 1245 O GLU A 79 -3.518 17.291 5.467 1.00 23.40 O ATOM 1246 CB GLU A 79 -2.953 19.416 3.288 1.00 50.35 C ATOM 1247 CG GLU A 79 -2.380 20.809 2.899 1.00 51.25 C ATOM 1248 CD GLU A 79 -1.465 20.800 1.654 1.00 44.21 C ATOM 1249 OE1 GLU A 79 -0.238 20.602 1.783 1.00 71.53 O ATOM 1250 OE2 GLU A 79 -1.976 20.995 0.532 1.00 40.20 O ATOM 0 H GLU A 79 -0.965 18.337 2.199 1.00 70.00 H new ATOM 0 HA GLU A 79 -1.581 19.002 4.911 1.00 43.14 H new ATOM 0 HB2 GLU A 79 -3.288 18.914 2.380 1.00 50.35 H new ATOM 0 HB3 GLU A 79 -3.834 19.566 3.912 1.00 50.35 H new ATOM 0 HG2 GLU A 79 -3.210 21.492 2.719 1.00 51.25 H new ATOM 0 HG3 GLU A 79 -1.818 21.206 3.745 1.00 51.25 H new ATOM 1257 N LEU A 80 -2.406 16.051 3.930 1.00 52.10 N ATOM 1258 CA LEU A 80 -2.948 14.760 4.354 1.00 51.10 C ATOM 1259 C LEU A 80 -2.118 14.209 5.501 1.00 62.25 C ATOM 1260 O LEU A 80 -0.905 13.992 5.366 1.00 75.44 O ATOM 1261 CB LEU A 80 -2.927 13.751 3.194 1.00 73.11 C ATOM 1262 CG LEU A 80 -3.834 14.094 1.989 1.00 60.03 C ATOM 1263 CD1 LEU A 80 -3.551 13.135 0.837 1.00 34.13 C ATOM 1264 CD2 LEU A 80 -5.330 14.084 2.368 1.00 61.10 C ATOM 0 H LEU A 80 -1.783 15.989 3.125 1.00 52.10 H new ATOM 0 HA LEU A 80 -3.979 14.911 4.674 1.00 51.10 H new ATOM 0 HB2 LEU A 80 -1.901 13.657 2.838 1.00 73.11 H new ATOM 0 HB3 LEU A 80 -3.221 12.775 3.580 1.00 73.11 H new ATOM 0 HG LEU A 80 -3.600 15.110 1.670 1.00 60.03 H new ATOM 0 HD11 LEU A 80 -4.193 13.382 -0.008 1.00 34.13 H new ATOM 0 HD12 LEU A 80 -2.507 13.224 0.538 1.00 34.13 H new ATOM 0 HD13 LEU A 80 -3.751 12.112 1.157 1.00 34.13 H new ATOM 0 HD21 LEU A 80 -5.929 14.330 1.491 1.00 61.10 H new ATOM 0 HD22 LEU A 80 -5.607 13.094 2.730 1.00 61.10 H new ATOM 0 HD23 LEU A 80 -5.512 14.821 3.150 1.00 61.10 H new ATOM 1276 N ASP A 81 -2.776 14.027 6.625 1.00 63.40 N ATOM 1277 CA ASP A 81 -2.218 13.311 7.769 1.00 14.00 C ATOM 1278 C ASP A 81 -2.420 11.809 7.555 1.00 44.21 C ATOM 1279 O ASP A 81 -3.475 11.394 7.067 1.00 34.10 O ATOM 1280 CB ASP A 81 -2.894 13.785 9.078 1.00 53.20 C ATOM 1281 CG ASP A 81 -2.373 13.108 10.357 1.00 25.14 C ATOM 1282 OD1 ASP A 81 -1.151 12.831 10.464 1.00 35.14 O ATOM 1283 OD2 ASP A 81 -3.182 12.856 11.266 1.00 62.55 O ATOM 0 H ASP A 81 -3.723 14.372 6.780 1.00 63.40 H new ATOM 0 HA ASP A 81 -1.151 13.518 7.856 1.00 14.00 H new ATOM 0 HB2 ASP A 81 -2.755 14.862 9.172 1.00 53.20 H new ATOM 0 HB3 ASP A 81 -3.967 13.607 9.001 1.00 53.20 H new ATOM 1288 N TRP A 82 -1.408 11.002 7.914 1.00 44.54 N ATOM 1289 CA TRP A 82 -1.457 9.540 7.734 1.00 24.32 C ATOM 1290 C TRP A 82 -2.559 8.895 8.586 1.00 12.21 C ATOM 1291 O TRP A 82 -3.128 7.907 8.170 1.00 32.03 O ATOM 1292 CB TRP A 82 -0.077 8.878 8.011 1.00 23.35 C ATOM 1293 CG TRP A 82 0.929 9.041 6.888 1.00 23.20 C ATOM 1294 CD1 TRP A 82 2.110 9.736 6.917 1.00 20.42 C ATOM 1295 CD2 TRP A 82 0.831 8.477 5.566 1.00 5.34 C ATOM 1296 NE1 TRP A 82 2.746 9.637 5.706 1.00 53.34 N ATOM 1297 CE2 TRP A 82 1.981 8.874 4.861 1.00 52.05 C ATOM 1298 CE3 TRP A 82 -0.117 7.679 4.909 1.00 64.34 C ATOM 1299 CZ2 TRP A 82 2.212 8.500 3.541 1.00 41.44 C ATOM 1300 CZ3 TRP A 82 0.115 7.310 3.599 1.00 34.42 C ATOM 1301 CH2 TRP A 82 1.270 7.723 2.926 1.00 21.43 C ATOM 0 H TRP A 82 -0.541 11.339 8.333 1.00 44.54 H new ATOM 0 HA TRP A 82 -1.705 9.361 6.688 1.00 24.32 H new ATOM 0 HB2 TRP A 82 0.341 9.305 8.923 1.00 23.35 H new ATOM 0 HB3 TRP A 82 -0.228 7.815 8.197 1.00 23.35 H new ATOM 0 HD1 TRP A 82 2.485 10.282 7.770 1.00 20.42 H new ATOM 0 HE1 TRP A 82 3.643 10.062 5.472 1.00 53.34 H new ATOM 0 HE3 TRP A 82 -1.013 7.359 5.419 1.00 64.34 H new ATOM 0 HZ2 TRP A 82 3.105 8.813 3.020 1.00 41.44 H new ATOM 0 HZ3 TRP A 82 -0.607 6.692 3.085 1.00 34.42 H new ATOM 0 HH2 TRP A 82 1.421 7.422 1.900 1.00 21.43 H new ATOM 1312 N ASN A 83 -2.900 9.505 9.739 1.00 60.32 N ATOM 1313 CA ASN A 83 -3.956 8.982 10.650 1.00 34.22 C ATOM 1314 C ASN A 83 -5.338 8.935 9.962 1.00 53.43 C ATOM 1315 O ASN A 83 -6.240 8.250 10.441 1.00 43.30 O ATOM 1316 CB ASN A 83 -4.042 9.800 11.964 1.00 52.25 C ATOM 1317 CG ASN A 83 -2.761 9.758 12.801 1.00 64.45 C ATOM 1318 OD1 ASN A 83 -2.022 8.770 12.796 1.00 23.32 O ATOM 1319 ND2 ASN A 83 -2.496 10.833 13.531 1.00 34.04 N ATOM 0 H ASN A 83 -2.461 10.365 10.069 1.00 60.32 H new ATOM 0 HA ASN A 83 -3.666 7.962 10.902 1.00 34.22 H new ATOM 0 HB2 ASN A 83 -4.273 10.837 11.721 1.00 52.25 H new ATOM 0 HB3 ASN A 83 -4.870 9.421 12.564 1.00 52.25 H new ATOM 0 HD21 ASN A 83 -1.659 10.861 14.113 1.00 34.04 H new ATOM 0 HD22 ASN A 83 -3.130 11.632 13.511 1.00 34.04 H new ATOM 1326 N LEU A 84 -5.496 9.704 8.867 1.00 4.20 N ATOM 1327 CA LEU A 84 -6.706 9.681 8.032 1.00 31.21 C ATOM 1328 C LEU A 84 -6.729 8.371 7.204 1.00 63.41 C ATOM 1329 O LEU A 84 -7.695 7.609 7.255 1.00 30.41 O ATOM 1330 CB LEU A 84 -6.731 10.925 7.091 1.00 21.43 C ATOM 1331 CG LEU A 84 -6.615 12.319 7.794 1.00 21.32 C ATOM 1332 CD1 LEU A 84 -6.566 13.469 6.760 1.00 74.43 C ATOM 1333 CD2 LEU A 84 -7.744 12.531 8.827 1.00 30.13 C ATOM 0 H LEU A 84 -4.786 10.358 8.539 1.00 4.20 H new ATOM 0 HA LEU A 84 -7.591 9.717 8.668 1.00 31.21 H new ATOM 0 HB2 LEU A 84 -5.914 10.832 6.376 1.00 21.43 H new ATOM 0 HB3 LEU A 84 -7.659 10.905 6.519 1.00 21.43 H new ATOM 0 HG LEU A 84 -5.672 12.331 8.341 1.00 21.32 H new ATOM 0 HD11 LEU A 84 -6.485 14.423 7.281 1.00 74.43 H new ATOM 0 HD12 LEU A 84 -5.702 13.337 6.109 1.00 74.43 H new ATOM 0 HD13 LEU A 84 -7.476 13.458 6.161 1.00 74.43 H new ATOM 0 HD21 LEU A 84 -7.631 13.509 9.294 1.00 30.13 H new ATOM 0 HD22 LEU A 84 -8.710 12.478 8.326 1.00 30.13 H new ATOM 0 HD23 LEU A 84 -7.689 11.755 9.591 1.00 30.13 H new ATOM 1345 N LEU A 85 -5.612 8.095 6.498 1.00 1.05 N ATOM 1346 CA LEU A 85 -5.500 6.967 5.550 1.00 12.14 C ATOM 1347 C LEU A 85 -5.361 5.609 6.275 1.00 14.15 C ATOM 1348 O LEU A 85 -6.058 4.658 5.923 1.00 22.12 O ATOM 1349 CB LEU A 85 -4.283 7.155 4.588 1.00 44.22 C ATOM 1350 CG LEU A 85 -4.316 8.381 3.600 1.00 34.23 C ATOM 1351 CD1 LEU A 85 -3.998 9.717 4.303 1.00 64.22 C ATOM 1352 CD2 LEU A 85 -3.385 8.137 2.387 1.00 45.10 C ATOM 0 H LEU A 85 -4.760 8.651 6.570 1.00 1.05 H new ATOM 0 HA LEU A 85 -6.425 6.961 4.973 1.00 12.14 H new ATOM 0 HB2 LEU A 85 -3.383 7.239 5.197 1.00 44.22 H new ATOM 0 HB3 LEU A 85 -4.182 6.247 3.993 1.00 44.22 H new ATOM 0 HG LEU A 85 -5.338 8.467 3.230 1.00 34.23 H new ATOM 0 HD11 LEU A 85 -4.034 10.528 3.576 1.00 64.22 H new ATOM 0 HD12 LEU A 85 -4.733 9.899 5.087 1.00 64.22 H new ATOM 0 HD13 LEU A 85 -3.002 9.669 4.743 1.00 64.22 H new ATOM 0 HD21 LEU A 85 -3.425 8.997 1.719 1.00 45.10 H new ATOM 0 HD22 LEU A 85 -2.362 7.996 2.736 1.00 45.10 H new ATOM 0 HD23 LEU A 85 -3.712 7.246 1.851 1.00 45.10 H new ATOM 1364 N LYS A 86 -4.464 5.563 7.288 1.00 2.40 N ATOM 1365 CA LYS A 86 -4.002 4.316 7.958 1.00 32.21 C ATOM 1366 C LYS A 86 -5.137 3.357 8.408 1.00 65.42 C ATOM 1367 O LYS A 86 -5.027 2.180 8.120 1.00 13.32 O ATOM 1368 CB LYS A 86 -3.066 4.633 9.156 1.00 34.43 C ATOM 1369 CG LYS A 86 -1.698 5.230 8.769 1.00 21.00 C ATOM 1370 CD LYS A 86 -0.887 5.665 10.010 1.00 21.31 C ATOM 1371 CE LYS A 86 -0.520 4.486 10.925 1.00 23.35 C ATOM 1372 NZ LYS A 86 -0.045 4.944 12.261 1.00 14.53 N ATOM 0 H LYS A 86 -4.032 6.403 7.672 1.00 2.40 H new ATOM 0 HA LYS A 86 -3.448 3.781 7.186 1.00 32.21 H new ATOM 0 HB2 LYS A 86 -3.575 5.330 9.822 1.00 34.43 H new ATOM 0 HB3 LYS A 86 -2.899 3.716 9.721 1.00 34.43 H new ATOM 0 HG2 LYS A 86 -1.128 4.494 8.203 1.00 21.00 H new ATOM 0 HG3 LYS A 86 -1.849 6.089 8.115 1.00 21.00 H new ATOM 0 HD2 LYS A 86 0.026 6.165 9.685 1.00 21.31 H new ATOM 0 HD3 LYS A 86 -1.464 6.394 10.578 1.00 21.31 H new ATOM 0 HE2 LYS A 86 -1.389 3.840 11.051 1.00 23.35 H new ATOM 0 HE3 LYS A 86 0.256 3.886 10.450 1.00 23.35 H new ATOM 0 HZ1 LYS A 86 0.192 4.118 12.847 1.00 14.53 H new ATOM 0 HZ2 LYS A 86 0.800 5.539 12.144 1.00 14.53 H new ATOM 0 HZ3 LYS A 86 -0.795 5.495 12.726 1.00 14.53 H new ATOM 1386 N PRO A 87 -6.235 3.814 9.126 1.00 64.33 N ATOM 1387 CA PRO A 87 -7.372 2.915 9.488 1.00 11.43 C ATOM 1388 C PRO A 87 -8.000 2.221 8.255 1.00 3.11 C ATOM 1389 O PRO A 87 -8.379 1.043 8.325 1.00 55.54 O ATOM 1390 CB PRO A 87 -8.386 3.866 10.194 1.00 60.23 C ATOM 1391 CG PRO A 87 -7.539 4.989 10.709 1.00 35.24 C ATOM 1392 CD PRO A 87 -6.463 5.188 9.664 1.00 33.11 C ATOM 0 HA PRO A 87 -7.053 2.088 10.123 1.00 11.43 H new ATOM 0 HB2 PRO A 87 -9.145 4.226 9.499 1.00 60.23 H new ATOM 0 HB3 PRO A 87 -8.910 3.359 11.004 1.00 60.23 H new ATOM 0 HG2 PRO A 87 -8.128 5.896 10.845 1.00 35.24 H new ATOM 0 HG3 PRO A 87 -7.105 4.742 11.678 1.00 35.24 H new ATOM 0 HD2 PRO A 87 -6.786 5.876 8.882 1.00 33.11 H new ATOM 0 HD3 PRO A 87 -5.554 5.604 10.099 1.00 33.11 H new ATOM 1400 N ASP A 88 -8.071 2.953 7.117 1.00 33.21 N ATOM 1401 CA ASP A 88 -8.623 2.406 5.860 1.00 24.33 C ATOM 1402 C ASP A 88 -7.604 1.461 5.185 1.00 3.20 C ATOM 1403 O ASP A 88 -7.990 0.413 4.672 1.00 74.11 O ATOM 1404 CB ASP A 88 -9.039 3.529 4.871 1.00 53.34 C ATOM 1405 CG ASP A 88 -9.965 2.998 3.755 1.00 5.20 C ATOM 1406 OD1 ASP A 88 -9.476 2.492 2.736 1.00 54.40 O ATOM 1407 OD2 ASP A 88 -11.202 3.069 3.905 1.00 13.14 O ATOM 0 H ASP A 88 -7.753 3.920 7.047 1.00 33.21 H new ATOM 0 HA ASP A 88 -9.519 1.842 6.121 1.00 24.33 H new ATOM 0 HB2 ASP A 88 -9.547 4.324 5.417 1.00 53.34 H new ATOM 0 HB3 ASP A 88 -8.147 3.969 4.424 1.00 53.34 H new ATOM 1412 N ILE A 89 -6.300 1.846 5.209 1.00 55.42 N ATOM 1413 CA ILE A 89 -5.194 1.049 4.612 1.00 41.24 C ATOM 1414 C ILE A 89 -5.092 -0.316 5.315 1.00 42.44 C ATOM 1415 O ILE A 89 -4.947 -1.358 4.665 1.00 50.32 O ATOM 1416 CB ILE A 89 -3.801 1.811 4.700 1.00 62.11 C ATOM 1417 CG1 ILE A 89 -3.832 3.127 3.852 1.00 20.35 C ATOM 1418 CG2 ILE A 89 -2.615 0.901 4.267 1.00 71.25 C ATOM 1419 CD1 ILE A 89 -2.539 3.935 3.853 1.00 72.22 C ATOM 0 H ILE A 89 -5.987 2.715 5.641 1.00 55.42 H new ATOM 0 HA ILE A 89 -5.424 0.902 3.557 1.00 41.24 H new ATOM 0 HB ILE A 89 -3.641 2.078 5.745 1.00 62.11 H new ATOM 0 HG12 ILE A 89 -4.079 2.870 2.822 1.00 20.35 H new ATOM 0 HG13 ILE A 89 -4.637 3.761 4.224 1.00 20.35 H new ATOM 0 HG21 ILE A 89 -1.682 1.459 4.342 1.00 71.25 H new ATOM 0 HG22 ILE A 89 -2.569 0.029 4.919 1.00 71.25 H new ATOM 0 HG23 ILE A 89 -2.762 0.577 3.237 1.00 71.25 H new ATOM 0 HD11 ILE A 89 -2.666 4.825 3.237 1.00 72.22 H new ATOM 0 HD12 ILE A 89 -2.296 4.231 4.873 1.00 72.22 H new ATOM 0 HD13 ILE A 89 -1.730 3.327 3.449 1.00 72.22 H new ATOM 1431 N TYR A 90 -5.207 -0.275 6.651 1.00 23.22 N ATOM 1432 CA TYR A 90 -5.159 -1.465 7.505 1.00 22.53 C ATOM 1433 C TYR A 90 -6.374 -2.354 7.233 1.00 60.24 C ATOM 1434 O TYR A 90 -6.223 -3.554 7.050 1.00 23.05 O ATOM 1435 CB TYR A 90 -5.069 -1.063 9.010 1.00 72.40 C ATOM 1436 CG TYR A 90 -3.730 -0.409 9.449 1.00 74.14 C ATOM 1437 CD1 TYR A 90 -2.776 0.051 8.523 1.00 63.55 C ATOM 1438 CD2 TYR A 90 -3.420 -0.260 10.806 1.00 42.33 C ATOM 1439 CE1 TYR A 90 -1.589 0.625 8.937 1.00 73.13 C ATOM 1440 CE2 TYR A 90 -2.226 0.312 11.214 1.00 61.54 C ATOM 1441 CZ TYR A 90 -1.320 0.750 10.277 1.00 5.43 C ATOM 1442 OH TYR A 90 -0.130 1.309 10.684 1.00 72.22 O ATOM 0 H TYR A 90 -5.337 0.593 7.170 1.00 23.22 H new ATOM 0 HA TYR A 90 -4.261 -2.035 7.267 1.00 22.53 H new ATOM 0 HB2 TYR A 90 -5.881 -0.371 9.232 1.00 72.40 H new ATOM 0 HB3 TYR A 90 -5.234 -1.954 9.616 1.00 72.40 H new ATOM 0 HD1 TYR A 90 -2.976 -0.047 7.466 1.00 63.55 H new ATOM 0 HD2 TYR A 90 -4.126 -0.598 11.550 1.00 42.33 H new ATOM 0 HE1 TYR A 90 -0.874 0.975 8.207 1.00 73.13 H new ATOM 0 HE2 TYR A 90 -2.007 0.414 12.267 1.00 61.54 H new ATOM 0 HH TYR A 90 0.441 0.615 11.075 1.00 72.22 H new ATOM 1452 N ALA A 91 -7.568 -1.732 7.159 1.00 30.30 N ATOM 1453 CA ALA A 91 -8.823 -2.445 6.849 1.00 74.20 C ATOM 1454 C ALA A 91 -8.738 -3.159 5.480 1.00 21.02 C ATOM 1455 O ALA A 91 -9.136 -4.317 5.359 1.00 40.01 O ATOM 1456 CB ALA A 91 -10.008 -1.472 6.876 1.00 22.33 C ATOM 0 H ALA A 91 -7.689 -0.731 7.311 1.00 30.30 H new ATOM 0 HA ALA A 91 -8.977 -3.207 7.613 1.00 74.20 H new ATOM 0 HB1 ALA A 91 -10.927 -2.011 6.646 1.00 22.33 H new ATOM 0 HB2 ALA A 91 -10.089 -1.024 7.866 1.00 22.33 H new ATOM 0 HB3 ALA A 91 -9.852 -0.688 6.135 1.00 22.33 H new ATOM 1462 N THR A 92 -8.182 -2.449 4.480 1.00 74.23 N ATOM 1463 CA THR A 92 -8.013 -2.954 3.103 1.00 71.11 C ATOM 1464 C THR A 92 -7.087 -4.196 3.062 1.00 30.43 C ATOM 1465 O THR A 92 -7.455 -5.236 2.500 1.00 71.32 O ATOM 1466 CB THR A 92 -7.447 -1.823 2.172 1.00 2.51 C ATOM 1467 OG1 THR A 92 -8.358 -0.707 2.146 1.00 3.52 O ATOM 1468 CG2 THR A 92 -7.213 -2.294 0.731 1.00 70.24 C ATOM 0 H THR A 92 -7.834 -1.499 4.606 1.00 74.23 H new ATOM 0 HA THR A 92 -8.994 -3.257 2.738 1.00 71.11 H new ATOM 0 HB THR A 92 -6.483 -1.533 2.590 1.00 2.51 H new ATOM 0 HG1 THR A 92 -8.303 -0.220 2.995 1.00 3.52 H new ATOM 0 HG21 THR A 92 -6.822 -1.468 0.137 1.00 70.24 H new ATOM 0 HG22 THR A 92 -6.495 -3.115 0.728 1.00 70.24 H new ATOM 0 HG23 THR A 92 -8.155 -2.635 0.302 1.00 70.24 H new ATOM 1476 N ILE A 93 -5.901 -4.063 3.691 1.00 30.24 N ATOM 1477 CA ILE A 93 -4.853 -5.102 3.687 1.00 24.52 C ATOM 1478 C ILE A 93 -5.285 -6.348 4.499 1.00 22.21 C ATOM 1479 O ILE A 93 -5.176 -7.471 4.004 1.00 30.45 O ATOM 1480 CB ILE A 93 -3.478 -4.517 4.215 1.00 42.14 C ATOM 1481 CG1 ILE A 93 -2.932 -3.430 3.224 1.00 52.42 C ATOM 1482 CG2 ILE A 93 -2.423 -5.625 4.459 1.00 54.41 C ATOM 1483 CD1 ILE A 93 -1.634 -2.757 3.652 1.00 0.15 C ATOM 0 H ILE A 93 -5.643 -3.228 4.218 1.00 30.24 H new ATOM 0 HA ILE A 93 -4.707 -5.424 2.656 1.00 24.52 H new ATOM 0 HB ILE A 93 -3.671 -4.049 5.180 1.00 42.14 H new ATOM 0 HG12 ILE A 93 -2.778 -3.894 2.250 1.00 52.42 H new ATOM 0 HG13 ILE A 93 -3.695 -2.663 3.095 1.00 52.42 H new ATOM 0 HG21 ILE A 93 -1.499 -5.174 4.820 1.00 54.41 H new ATOM 0 HG22 ILE A 93 -2.799 -6.328 5.203 1.00 54.41 H new ATOM 0 HG23 ILE A 93 -2.228 -6.154 3.526 1.00 54.41 H new ATOM 0 HD11 ILE A 93 -1.340 -2.023 2.902 1.00 0.15 H new ATOM 0 HD12 ILE A 93 -1.782 -2.258 4.610 1.00 0.15 H new ATOM 0 HD13 ILE A 93 -0.850 -3.508 3.751 1.00 0.15 H new ATOM 1495 N MET A 94 -5.798 -6.135 5.729 1.00 12.21 N ATOM 1496 CA MET A 94 -6.209 -7.245 6.627 1.00 52.31 C ATOM 1497 C MET A 94 -7.377 -8.052 6.028 1.00 42.05 C ATOM 1498 O MET A 94 -7.364 -9.279 6.086 1.00 43.23 O ATOM 1499 CB MET A 94 -6.591 -6.725 8.042 1.00 54.43 C ATOM 1500 CG MET A 94 -5.453 -6.020 8.798 1.00 61.41 C ATOM 1501 SD MET A 94 -5.930 -5.497 10.467 1.00 20.43 S ATOM 1502 CE MET A 94 -7.379 -4.476 10.160 1.00 43.55 C ATOM 0 H MET A 94 -5.939 -5.206 6.127 1.00 12.21 H new ATOM 0 HA MET A 94 -5.348 -7.906 6.726 1.00 52.31 H new ATOM 0 HB2 MET A 94 -7.428 -6.033 7.946 1.00 54.43 H new ATOM 0 HB3 MET A 94 -6.940 -7.566 8.641 1.00 54.43 H new ATOM 0 HG2 MET A 94 -4.597 -6.692 8.864 1.00 61.41 H new ATOM 0 HG3 MET A 94 -5.131 -5.149 8.228 1.00 61.41 H new ATOM 0 HE1 MET A 94 -7.364 -3.614 10.827 1.00 43.55 H new ATOM 0 HE2 MET A 94 -7.371 -4.135 9.125 1.00 43.55 H new ATOM 0 HE3 MET A 94 -8.281 -5.060 10.342 1.00 43.55 H new ATOM 1512 N ASP A 95 -8.375 -7.340 5.453 1.00 11.40 N ATOM 1513 CA ASP A 95 -9.533 -7.968 4.767 1.00 75.05 C ATOM 1514 C ASP A 95 -9.056 -8.853 3.602 1.00 41.20 C ATOM 1515 O ASP A 95 -9.450 -10.015 3.489 1.00 35.20 O ATOM 1516 CB ASP A 95 -10.499 -6.875 4.233 1.00 23.11 C ATOM 1517 CG ASP A 95 -11.809 -7.434 3.629 1.00 31.22 C ATOM 1518 OD1 ASP A 95 -11.814 -7.856 2.450 1.00 24.21 O ATOM 1519 OD2 ASP A 95 -12.853 -7.435 4.333 1.00 54.41 O ATOM 0 H ASP A 95 -8.402 -6.320 5.450 1.00 11.40 H new ATOM 0 HA ASP A 95 -10.061 -8.591 5.489 1.00 75.05 H new ATOM 0 HB2 ASP A 95 -10.748 -6.195 5.048 1.00 23.11 H new ATOM 0 HB3 ASP A 95 -9.983 -6.288 3.474 1.00 23.11 H new ATOM 1524 N PHE A 96 -8.181 -8.266 2.766 1.00 23.10 N ATOM 1525 CA PHE A 96 -7.628 -8.896 1.549 1.00 44.42 C ATOM 1526 C PHE A 96 -6.870 -10.199 1.900 1.00 74.32 C ATOM 1527 O PHE A 96 -7.020 -11.229 1.219 1.00 35.14 O ATOM 1528 CB PHE A 96 -6.685 -7.868 0.860 1.00 21.24 C ATOM 1529 CG PHE A 96 -6.190 -8.259 -0.529 1.00 70.04 C ATOM 1530 CD1 PHE A 96 -6.941 -7.950 -1.661 1.00 0.30 C ATOM 1531 CD2 PHE A 96 -4.975 -8.923 -0.707 1.00 51.21 C ATOM 1532 CE1 PHE A 96 -6.498 -8.291 -2.918 1.00 11.43 C ATOM 1533 CE2 PHE A 96 -4.535 -9.263 -1.967 1.00 3.45 C ATOM 1534 CZ PHE A 96 -5.294 -8.948 -3.073 1.00 10.05 C ATOM 0 H PHE A 96 -7.830 -7.321 2.919 1.00 23.10 H new ATOM 0 HA PHE A 96 -8.435 -9.170 0.870 1.00 44.42 H new ATOM 0 HB2 PHE A 96 -7.208 -6.915 0.785 1.00 21.24 H new ATOM 0 HB3 PHE A 96 -5.820 -7.707 1.503 1.00 21.24 H new ATOM 0 HD1 PHE A 96 -7.884 -7.436 -1.550 1.00 0.30 H new ATOM 0 HD2 PHE A 96 -4.373 -9.173 0.154 1.00 51.21 H new ATOM 0 HE1 PHE A 96 -7.093 -8.044 -3.785 1.00 11.43 H new ATOM 0 HE2 PHE A 96 -3.593 -9.778 -2.088 1.00 3.45 H new ATOM 0 HZ PHE A 96 -4.947 -9.215 -4.060 1.00 10.05 H new ATOM 1544 N PHE A 97 -6.090 -10.132 2.993 1.00 52.12 N ATOM 1545 CA PHE A 97 -5.254 -11.247 3.479 1.00 30.13 C ATOM 1546 C PHE A 97 -6.120 -12.323 4.163 1.00 42.43 C ATOM 1547 O PHE A 97 -5.836 -13.520 4.049 1.00 43.33 O ATOM 1548 CB PHE A 97 -4.152 -10.713 4.452 1.00 30.13 C ATOM 1549 CG PHE A 97 -3.019 -9.888 3.794 1.00 74.52 C ATOM 1550 CD1 PHE A 97 -3.156 -9.311 2.524 1.00 63.10 C ATOM 1551 CD2 PHE A 97 -1.807 -9.697 4.461 1.00 3.13 C ATOM 1552 CE1 PHE A 97 -2.131 -8.582 1.955 1.00 43.12 C ATOM 1553 CE2 PHE A 97 -0.782 -8.966 3.884 1.00 54.31 C ATOM 1554 CZ PHE A 97 -0.947 -8.411 2.633 1.00 24.23 C ATOM 0 H PHE A 97 -6.021 -9.294 3.571 1.00 52.12 H new ATOM 0 HA PHE A 97 -4.762 -11.710 2.624 1.00 30.13 H new ATOM 0 HB2 PHE A 97 -4.632 -10.096 5.212 1.00 30.13 H new ATOM 0 HB3 PHE A 97 -3.705 -11.563 4.967 1.00 30.13 H new ATOM 0 HD1 PHE A 97 -4.080 -9.439 1.981 1.00 63.10 H new ATOM 0 HD2 PHE A 97 -1.667 -10.126 5.442 1.00 3.13 H new ATOM 0 HE1 PHE A 97 -2.259 -8.145 0.976 1.00 43.12 H new ATOM 0 HE2 PHE A 97 0.149 -8.830 4.415 1.00 54.31 H new ATOM 0 HZ PHE A 97 -0.146 -7.842 2.185 1.00 24.23 H new ATOM 1564 N ALA A 98 -7.192 -11.875 4.844 1.00 24.52 N ATOM 1565 CA ALA A 98 -8.159 -12.769 5.518 1.00 4.14 C ATOM 1566 C ALA A 98 -9.016 -13.523 4.488 1.00 54.22 C ATOM 1567 O ALA A 98 -9.489 -14.632 4.753 1.00 21.34 O ATOM 1568 CB ALA A 98 -9.047 -11.963 6.483 1.00 62.21 C ATOM 0 H ALA A 98 -7.414 -10.884 4.944 1.00 24.52 H new ATOM 0 HA ALA A 98 -7.602 -13.507 6.095 1.00 4.14 H new ATOM 0 HB1 ALA A 98 -9.754 -12.633 6.972 1.00 62.21 H new ATOM 0 HB2 ALA A 98 -8.423 -11.482 7.236 1.00 62.21 H new ATOM 0 HB3 ALA A 98 -9.594 -11.203 5.925 1.00 62.21 H new ATOM 1574 N SER A 99 -9.198 -12.904 3.311 1.00 60.25 N ATOM 1575 CA SER A 99 -9.891 -13.516 2.168 1.00 64.20 C ATOM 1576 C SER A 99 -8.938 -14.466 1.429 1.00 31.10 C ATOM 1577 O SER A 99 -9.374 -15.433 0.802 1.00 63.35 O ATOM 1578 CB SER A 99 -10.393 -12.418 1.208 1.00 65.22 C ATOM 1579 OG SER A 99 -11.224 -11.488 1.882 1.00 12.42 O ATOM 0 H SER A 99 -8.866 -11.958 3.125 1.00 60.25 H new ATOM 0 HA SER A 99 -10.747 -14.084 2.532 1.00 64.20 H new ATOM 0 HB2 SER A 99 -9.542 -11.898 0.770 1.00 65.22 H new ATOM 0 HB3 SER A 99 -10.945 -12.874 0.386 1.00 65.22 H new ATOM 0 HG SER A 99 -10.677 -10.929 2.472 1.00 12.42 H new ATOM 1585 N GLY A 100 -7.628 -14.162 1.521 1.00 22.34 N ATOM 1586 CA GLY A 100 -6.588 -14.960 0.881 1.00 34.30 C ATOM 1587 C GLY A 100 -6.550 -14.768 -0.626 1.00 4.15 C ATOM 1588 O GLY A 100 -6.218 -15.701 -1.364 1.00 41.45 O ATOM 0 H GLY A 100 -7.273 -13.359 2.040 1.00 22.34 H new ATOM 0 HA2 GLY A 100 -5.619 -14.693 1.302 1.00 34.30 H new ATOM 0 HA3 GLY A 100 -6.754 -16.014 1.105 1.00 34.30 H new ATOM 1592 N LEU A 101 -6.903 -13.544 -1.072 1.00 31.14 N ATOM 1593 CA LEU A 101 -6.924 -13.169 -2.496 1.00 34.12 C ATOM 1594 C LEU A 101 -5.478 -13.072 -3.041 1.00 21.34 C ATOM 1595 O LEU A 101 -4.555 -12.779 -2.267 1.00 40.01 O ATOM 1596 CB LEU A 101 -7.664 -11.808 -2.679 1.00 5.43 C ATOM 1597 CG LEU A 101 -9.179 -11.778 -2.302 1.00 45.34 C ATOM 1598 CD1 LEU A 101 -9.759 -10.351 -2.444 1.00 40.31 C ATOM 1599 CD2 LEU A 101 -9.987 -12.802 -3.134 1.00 43.14 C ATOM 0 H LEU A 101 -7.182 -12.786 -0.449 1.00 31.14 H new ATOM 0 HA LEU A 101 -7.458 -13.936 -3.057 1.00 34.12 H new ATOM 0 HB2 LEU A 101 -7.149 -11.057 -2.079 1.00 5.43 H new ATOM 0 HB3 LEU A 101 -7.567 -11.505 -3.722 1.00 5.43 H new ATOM 0 HG LEU A 101 -9.267 -12.068 -1.255 1.00 45.34 H new ATOM 0 HD11 LEU A 101 -10.815 -10.359 -2.175 1.00 40.31 H new ATOM 0 HD12 LEU A 101 -9.221 -9.672 -1.782 1.00 40.31 H new ATOM 0 HD13 LEU A 101 -9.650 -10.015 -3.475 1.00 40.31 H new ATOM 0 HD21 LEU A 101 -11.038 -12.756 -2.847 1.00 43.14 H new ATOM 0 HD22 LEU A 101 -9.889 -12.567 -4.194 1.00 43.14 H new ATOM 0 HD23 LEU A 101 -9.604 -13.805 -2.948 1.00 43.14 H new ATOM 1611 N PRO A 102 -5.254 -13.329 -4.370 1.00 2.54 N ATOM 1612 CA PRO A 102 -3.918 -13.182 -4.986 1.00 75.24 C ATOM 1613 C PRO A 102 -3.437 -11.719 -4.900 1.00 54.12 C ATOM 1614 O PRO A 102 -4.097 -10.813 -5.428 1.00 25.44 O ATOM 1615 CB PRO A 102 -4.134 -13.649 -6.454 1.00 70.10 C ATOM 1616 CG PRO A 102 -5.608 -13.522 -6.697 1.00 30.35 C ATOM 1617 CD PRO A 102 -6.272 -13.785 -5.365 1.00 53.01 C ATOM 0 HA PRO A 102 -3.143 -13.764 -4.486 1.00 75.24 H new ATOM 0 HB2 PRO A 102 -3.566 -13.032 -7.150 1.00 70.10 H new ATOM 0 HB3 PRO A 102 -3.800 -14.677 -6.593 1.00 70.10 H new ATOM 0 HG2 PRO A 102 -5.858 -12.528 -7.069 1.00 30.35 H new ATOM 0 HG3 PRO A 102 -5.943 -14.237 -7.448 1.00 30.35 H new ATOM 0 HD2 PRO A 102 -7.206 -13.231 -5.266 1.00 53.01 H new ATOM 0 HD3 PRO A 102 -6.512 -14.841 -5.238 1.00 53.01 H new ATOM 1625 N LEU A 103 -2.320 -11.511 -4.175 1.00 32.44 N ATOM 1626 CA LEU A 103 -1.679 -10.193 -3.974 1.00 41.34 C ATOM 1627 C LEU A 103 -1.438 -9.511 -5.336 1.00 43.34 C ATOM 1628 O LEU A 103 -1.778 -8.336 -5.538 1.00 53.34 O ATOM 1629 CB LEU A 103 -0.352 -10.412 -3.168 1.00 64.13 C ATOM 1630 CG LEU A 103 0.242 -9.191 -2.379 1.00 45.42 C ATOM 1631 CD1 LEU A 103 0.788 -8.080 -3.297 1.00 54.10 C ATOM 1632 CD2 LEU A 103 -0.788 -8.633 -1.376 1.00 12.30 C ATOM 0 H LEU A 103 -1.827 -12.269 -3.703 1.00 32.44 H new ATOM 0 HA LEU A 103 -2.324 -9.526 -3.402 1.00 41.34 H new ATOM 0 HB2 LEU A 103 -0.524 -11.218 -2.455 1.00 64.13 H new ATOM 0 HB3 LEU A 103 0.409 -10.760 -3.866 1.00 64.13 H new ATOM 0 HG LEU A 103 1.100 -9.570 -1.824 1.00 45.42 H new ATOM 0 HD11 LEU A 103 1.183 -7.267 -2.688 1.00 54.10 H new ATOM 0 HD12 LEU A 103 1.583 -8.484 -3.924 1.00 54.10 H new ATOM 0 HD13 LEU A 103 -0.016 -7.703 -3.929 1.00 54.10 H new ATOM 0 HD21 LEU A 103 -0.354 -7.788 -0.841 1.00 12.30 H new ATOM 0 HD22 LEU A 103 -1.678 -8.304 -1.913 1.00 12.30 H new ATOM 0 HD23 LEU A 103 -1.061 -9.412 -0.664 1.00 12.30 H new ATOM 1644 N VAL A 104 -0.869 -10.295 -6.254 1.00 13.20 N ATOM 1645 CA VAL A 104 -0.621 -9.906 -7.646 1.00 5.12 C ATOM 1646 C VAL A 104 -1.309 -10.924 -8.573 1.00 31.14 C ATOM 1647 O VAL A 104 -1.257 -12.130 -8.313 1.00 72.34 O ATOM 1648 CB VAL A 104 0.931 -9.851 -7.931 1.00 1.31 C ATOM 1649 CG1 VAL A 104 1.239 -9.619 -9.427 1.00 24.23 C ATOM 1650 CG2 VAL A 104 1.627 -8.779 -7.052 1.00 21.33 C ATOM 0 H VAL A 104 -0.559 -11.244 -6.045 1.00 13.20 H new ATOM 0 HA VAL A 104 -1.030 -8.913 -7.831 1.00 5.12 H new ATOM 0 HB VAL A 104 1.336 -10.827 -7.663 1.00 1.31 H new ATOM 0 HG11 VAL A 104 2.318 -9.588 -9.576 1.00 24.23 H new ATOM 0 HG12 VAL A 104 0.814 -10.432 -10.016 1.00 24.23 H new ATOM 0 HG13 VAL A 104 0.802 -8.673 -9.746 1.00 24.23 H new ATOM 0 HG21 VAL A 104 2.695 -8.766 -7.272 1.00 21.33 H new ATOM 0 HG22 VAL A 104 1.200 -7.799 -7.267 1.00 21.33 H new ATOM 0 HG23 VAL A 104 1.476 -9.018 -5.999 1.00 21.33 H new ATOM 1660 N THR A 105 -1.985 -10.430 -9.619 1.00 33.21 N ATOM 1661 CA THR A 105 -2.601 -11.265 -10.663 1.00 11.03 C ATOM 1662 C THR A 105 -1.684 -11.328 -11.901 1.00 41.13 C ATOM 1663 O THR A 105 -1.367 -12.414 -12.393 1.00 34.10 O ATOM 1664 CB THR A 105 -4.015 -10.708 -11.054 1.00 70.23 C ATOM 1665 OG1 THR A 105 -3.940 -9.285 -11.276 1.00 5.54 O ATOM 1666 CG2 THR A 105 -5.064 -11.010 -9.966 1.00 42.34 C ATOM 0 H THR A 105 -2.122 -9.430 -9.767 1.00 33.21 H new ATOM 0 HA THR A 105 -2.729 -12.274 -10.271 1.00 11.03 H new ATOM 0 HB THR A 105 -4.327 -11.207 -11.971 1.00 70.23 H new ATOM 0 HG1 THR A 105 -4.826 -8.945 -11.521 1.00 5.54 H new ATOM 0 HG21 THR A 105 -6.031 -10.609 -10.271 1.00 42.34 H new ATOM 0 HG22 THR A 105 -5.145 -12.088 -9.828 1.00 42.34 H new ATOM 0 HG23 THR A 105 -4.759 -10.546 -9.028 1.00 42.34 H new ATOM 1674 N GLU A 106 -1.237 -10.152 -12.371 1.00 12.55 N ATOM 1675 CA GLU A 106 -0.431 -10.013 -13.609 1.00 53.33 C ATOM 1676 C GLU A 106 0.953 -9.410 -13.294 1.00 31.45 C ATOM 1677 O GLU A 106 1.065 -8.544 -12.434 1.00 53.13 O ATOM 1678 CB GLU A 106 -1.194 -9.120 -14.629 1.00 41.43 C ATOM 1679 CG GLU A 106 -2.536 -9.715 -15.104 1.00 73.33 C ATOM 1680 CD GLU A 106 -3.334 -8.775 -16.022 1.00 12.04 C ATOM 1681 OE1 GLU A 106 -3.058 -8.740 -17.243 1.00 0.05 O ATOM 1682 OE2 GLU A 106 -4.245 -8.068 -15.526 1.00 44.13 O ATOM 0 H GLU A 106 -1.422 -9.263 -11.906 1.00 12.55 H new ATOM 0 HA GLU A 106 -0.277 -11.001 -14.043 1.00 53.33 H new ATOM 0 HB2 GLU A 106 -1.380 -8.146 -14.176 1.00 41.43 H new ATOM 0 HB3 GLU A 106 -0.556 -8.951 -15.496 1.00 41.43 H new ATOM 0 HG2 GLU A 106 -2.343 -10.649 -15.633 1.00 73.33 H new ATOM 0 HG3 GLU A 106 -3.144 -9.961 -14.233 1.00 73.33 H new ATOM 1689 N GLU A 107 1.995 -9.878 -14.005 1.00 42.13 N ATOM 1690 CA GLU A 107 3.382 -9.410 -13.815 1.00 33.42 C ATOM 1691 C GLU A 107 3.614 -8.032 -14.476 1.00 53.31 C ATOM 1692 O GLU A 107 3.338 -7.893 -15.686 1.00 41.44 O ATOM 1693 CB GLU A 107 4.392 -10.453 -14.366 1.00 14.41 C ATOM 1694 CG GLU A 107 4.297 -11.840 -13.696 1.00 72.53 C ATOM 1695 CD GLU A 107 4.483 -11.792 -12.169 1.00 23.01 C ATOM 1696 OE1 GLU A 107 5.625 -11.583 -11.712 1.00 53.15 O ATOM 1697 OE2 GLU A 107 3.489 -11.957 -11.423 1.00 33.44 O ATOM 1698 OXT GLU A 107 4.124 -7.113 -13.797 1.00 37.72 O ATOM 0 H GLU A 107 1.900 -10.591 -14.728 1.00 42.13 H new ATOM 0 HA GLU A 107 3.546 -9.296 -12.743 1.00 33.42 H new ATOM 0 HB2 GLU A 107 4.230 -10.568 -15.438 1.00 14.41 H new ATOM 0 HB3 GLU A 107 5.403 -10.067 -14.236 1.00 14.41 H new ATOM 0 HG2 GLU A 107 3.326 -12.280 -13.923 1.00 72.53 H new ATOM 0 HG3 GLU A 107 5.053 -12.497 -14.127 1.00 72.53 H new TER 1705 GLU A 107