USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 3 HIS : no HD1:sc= -0.78 K(o=-0.92,f=-1.5) USER MOD Set 1.2: A 109 SER OG : rot 162:sc= -0.138 USER MOD Set 2.1: A 38 CYS SG : rot -90:sc= -4.85! USER MOD Set 2.2: A 104 ASN : amide:sc= -1.67 X(o=-6.5,f=-6.7) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.486 X(o=-0.76,f=-0.89) USER MOD Set 3.2: A 80 ASN : amide:sc= -0.272 X(o=-0.76,f=-0.46) USER MOD Set 4.1: A 58 SER OG : rot 180:sc= -0.105 USER MOD Set 4.2: A 62 GLN : amide:sc= -0.107 K(o=-0.21,f=0.86) USER MOD Set 5.1: A 7 HIS : no HD1:sc= -0.253 K(o=1,f=-6.4!) USER MOD Set 5.2: A 94 SER OG : rot 167:sc= 1.3 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0842 (180deg=-0.496) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0564) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.099) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.586 K(o=-0.59,f=0) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.112 (180deg=-0.643) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.201 K(o=0.2,f=-3.5!) USER MOD Single : A 16 THR OG1 : rot -100:sc= -0.034 USER MOD Single : A 17 GLN : amide:sc= 0.322 K(o=0.32,f=-0.21) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -142:sc= -0.147 (180deg=-1.82) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0042 K(o=-0.0042,f=-0.96) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -22:sc= 0.907 USER MOD Single : A 37 SER OG : rot -33:sc= 0.349 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.19) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0208) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 69 GLN : amide:sc= -0.938 K(o=-0.94,f=-2.5) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00358) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= -2.58! (180deg=-2.59!) USER MOD Single : A 84 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.8!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.18) USER MOD Single : A 91 TYR OH : rot 25:sc= 0.00891 USER MOD Single : A 98 THR OG1 : rot 94:sc= 0.283 USER MOD Single : A 101 MET CE :methyl -107:sc= -1.42 (180deg=-4.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= -0.0545 (180deg=-0.306) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0528) USER MOD Single : A 110 GLN : amide:sc= 1.22 K(o=1.2,f=-5.3!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 168:sc= 0.731 (180deg=0.633) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.02 K(o=-1,f=-0.22) USER MOD Single : A 125 ASN : amide:sc= 0.717 K(o=0.72,f=-0.11) USER MOD Single : A 126 ASN : amide:sc= -2.56 K(o=-2.6,f=-12!) USER MOD Single : A 128 ASN : amide:sc= -2.32! K(o=-2.3!,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.860 3.942 -17.643 1.00 11.02 N ATOM 2 CA MET A 1 -6.839 2.932 -17.295 1.00 52.52 C ATOM 3 C MET A 1 -6.718 2.805 -15.781 1.00 22.22 C ATOM 4 O MET A 1 -6.083 3.630 -15.125 1.00 52.01 O ATOM 5 CB MET A 1 -5.482 3.298 -17.914 1.00 21.32 C ATOM 6 CG MET A 1 -5.460 3.223 -19.435 1.00 44.22 C ATOM 7 SD MET A 1 -5.782 1.559 -20.055 1.00 21.33 S ATOM 8 CE MET A 1 -4.367 0.668 -19.405 1.00 15.13 C ATOM 0 H1 MET A 1 -8.031 3.924 -18.669 1.00 11.02 H new ATOM 0 H2 MET A 1 -8.745 3.728 -17.141 1.00 11.02 H new ATOM 0 H3 MET A 1 -7.524 4.886 -17.365 1.00 11.02 H new ATOM 0 HA MET A 1 -7.151 1.970 -17.702 1.00 52.52 H new ATOM 0 HB2 MET A 1 -5.213 4.308 -17.605 1.00 21.32 H new ATOM 0 HB3 MET A 1 -4.719 2.629 -17.515 1.00 21.32 H new ATOM 0 HG2 MET A 1 -6.206 3.908 -19.839 1.00 44.22 H new ATOM 0 HG3 MET A 1 -4.489 3.560 -19.797 1.00 44.22 H new ATOM 0 HE1 MET A 1 -4.246 -0.269 -19.949 1.00 15.13 H new ATOM 0 HE2 MET A 1 -3.469 1.275 -19.523 1.00 15.13 H new ATOM 0 HE3 MET A 1 -4.525 0.456 -18.348 1.00 15.13 H new ATOM 20 N ALA A 2 -7.363 1.783 -15.235 1.00 53.00 N ATOM 21 CA ALA A 2 -7.321 1.497 -13.807 1.00 42.14 C ATOM 22 C ALA A 2 -7.200 -0.007 -13.592 1.00 5.51 C ATOM 23 O ALA A 2 -6.908 -0.749 -14.532 1.00 63.40 O ATOM 24 CB ALA A 2 -8.572 2.047 -13.126 1.00 72.24 C ATOM 0 H ALA A 2 -7.931 1.127 -15.771 1.00 53.00 H new ATOM 0 HA ALA A 2 -6.452 1.983 -13.363 1.00 42.14 H new ATOM 0 HB1 ALA A 2 -8.531 1.828 -12.059 1.00 72.24 H new ATOM 0 HB2 ALA A 2 -8.622 3.126 -13.274 1.00 72.24 H new ATOM 0 HB3 ALA A 2 -9.457 1.580 -13.559 1.00 72.24 H new ATOM 30 N HIS A 3 -7.413 -0.455 -12.363 1.00 44.25 N ATOM 31 CA HIS A 3 -7.365 -1.879 -12.039 1.00 75.13 C ATOM 32 C HIS A 3 -8.531 -2.238 -11.123 1.00 23.32 C ATOM 33 O HIS A 3 -9.252 -1.353 -10.662 1.00 73.43 O ATOM 34 CB HIS A 3 -6.034 -2.245 -11.372 1.00 43.05 C ATOM 35 CG HIS A 3 -4.824 -2.036 -12.240 1.00 45.21 C ATOM 36 ND1 HIS A 3 -3.886 -1.050 -12.002 1.00 12.21 N ATOM 37 CD2 HIS A 3 -4.378 -2.715 -13.326 1.00 14.33 C ATOM 38 CE1 HIS A 3 -2.923 -1.135 -12.900 1.00 22.30 C ATOM 39 NE2 HIS A 3 -3.197 -2.135 -13.714 1.00 62.31 N ATOM 0 H HIS A 3 -7.622 0.149 -11.568 1.00 44.25 H new ATOM 0 HA HIS A 3 -7.446 -2.448 -12.965 1.00 75.13 H new ATOM 0 HB2 HIS A 3 -5.922 -1.652 -10.465 1.00 43.05 H new ATOM 0 HB3 HIS A 3 -6.070 -3.291 -11.067 1.00 43.05 H new ATOM 0 HD2 HIS A 3 -4.863 -3.557 -13.798 1.00 14.33 H new ATOM 0 HE1 HIS A 3 -2.056 -0.493 -12.958 1.00 22.30 H new ATOM 0 HE2 HIS A 3 -2.624 -2.430 -14.504 1.00 62.31 H new ATOM 48 N HIS A 4 -8.719 -3.531 -10.867 1.00 10.51 N ATOM 49 CA HIS A 4 -9.838 -4.004 -10.045 1.00 61.02 C ATOM 50 C HIS A 4 -9.330 -4.843 -8.877 1.00 64.30 C ATOM 51 O HIS A 4 -8.379 -5.612 -9.030 1.00 2.35 O ATOM 52 CB HIS A 4 -10.804 -4.850 -10.888 1.00 15.13 C ATOM 53 CG HIS A 4 -11.286 -4.173 -12.135 1.00 62.25 C ATOM 54 ND1 HIS A 4 -11.036 -4.669 -13.398 1.00 35.42 N ATOM 55 CD2 HIS A 4 -12.010 -3.042 -12.316 1.00 63.20 C ATOM 56 CE1 HIS A 4 -11.582 -3.875 -14.297 1.00 45.24 C ATOM 57 NE2 HIS A 4 -12.179 -2.881 -13.667 1.00 14.32 N ATOM 0 H HIS A 4 -8.112 -4.273 -11.216 1.00 10.51 H new ATOM 0 HA HIS A 4 -10.363 -3.130 -9.659 1.00 61.02 H new ATOM 0 HB2 HIS A 4 -10.309 -5.782 -11.162 1.00 15.13 H new ATOM 0 HB3 HIS A 4 -11.666 -5.115 -10.276 1.00 15.13 H new ATOM 0 HD2 HIS A 4 -12.384 -2.389 -11.541 1.00 63.20 H new ATOM 0 HE1 HIS A 4 -11.547 -4.014 -15.367 1.00 45.24 H new ATOM 0 HE2 HIS A 4 -12.685 -2.116 -14.113 1.00 14.32 H new ATOM 66 N HIS A 5 -9.960 -4.697 -7.713 1.00 43.43 N ATOM 67 CA HIS A 5 -9.643 -5.547 -6.568 1.00 33.12 C ATOM 68 C HIS A 5 -10.263 -6.924 -6.794 1.00 5.02 C ATOM 69 O HIS A 5 -11.461 -7.031 -7.071 1.00 21.22 O ATOM 70 CB HIS A 5 -10.144 -4.925 -5.246 1.00 23.10 C ATOM 71 CG HIS A 5 -11.635 -4.959 -5.053 1.00 55.43 C ATOM 72 ND1 HIS A 5 -12.478 -3.955 -5.480 1.00 10.22 N ATOM 73 CD2 HIS A 5 -12.432 -5.883 -4.460 1.00 42.05 C ATOM 74 CE1 HIS A 5 -13.721 -4.259 -5.156 1.00 44.22 C ATOM 75 NE2 HIS A 5 -13.719 -5.420 -4.537 1.00 13.15 N ATOM 0 H HIS A 5 -10.687 -4.004 -7.539 1.00 43.43 H new ATOM 0 HA HIS A 5 -8.561 -5.642 -6.481 1.00 33.12 H new ATOM 0 HB2 HIS A 5 -9.673 -5.449 -4.414 1.00 23.10 H new ATOM 0 HB3 HIS A 5 -9.810 -3.888 -5.200 1.00 23.10 H new ATOM 0 HD2 HIS A 5 -12.111 -6.811 -4.011 1.00 42.05 H new ATOM 0 HE1 HIS A 5 -14.593 -3.656 -5.364 1.00 44.22 H new ATOM 0 HE2 HIS A 5 -14.543 -5.898 -4.173 1.00 13.15 H new ATOM 84 N HIS A 6 -9.451 -7.968 -6.711 1.00 41.15 N ATOM 85 CA HIS A 6 -9.920 -9.319 -7.015 1.00 73.33 C ATOM 86 C HIS A 6 -10.292 -10.081 -5.749 1.00 63.15 C ATOM 87 O HIS A 6 -11.303 -10.780 -5.727 1.00 44.35 O ATOM 88 CB HIS A 6 -8.858 -10.096 -7.805 1.00 73.11 C ATOM 89 CG HIS A 6 -9.295 -11.480 -8.201 1.00 55.23 C ATOM 90 ND1 HIS A 6 -8.473 -12.583 -8.126 1.00 72.43 N ATOM 91 CD2 HIS A 6 -10.479 -11.933 -8.682 1.00 30.13 C ATOM 92 CE1 HIS A 6 -9.130 -13.648 -8.542 1.00 33.35 C ATOM 93 NE2 HIS A 6 -10.351 -13.286 -8.884 1.00 12.41 N ATOM 0 H HIS A 6 -8.470 -7.910 -6.438 1.00 41.15 H new ATOM 0 HA HIS A 6 -10.817 -9.223 -7.627 1.00 73.33 H new ATOM 0 HB2 HIS A 6 -8.602 -9.534 -8.703 1.00 73.11 H new ATOM 0 HB3 HIS A 6 -7.951 -10.168 -7.205 1.00 73.11 H new ATOM 0 HD2 HIS A 6 -11.361 -11.339 -8.872 1.00 30.13 H new ATOM 0 HE1 HIS A 6 -8.733 -14.651 -8.594 1.00 33.35 H new ATOM 0 HE2 HIS A 6 -11.079 -13.906 -9.239 1.00 12.41 H new ATOM 102 N HIS A 7 -9.475 -9.929 -4.703 1.00 23.44 N ATOM 103 CA HIS A 7 -9.624 -10.687 -3.452 1.00 74.12 C ATOM 104 C HIS A 7 -9.361 -12.181 -3.697 1.00 10.20 C ATOM 105 O HIS A 7 -9.786 -12.737 -4.709 1.00 24.44 O ATOM 106 CB HIS A 7 -11.017 -10.444 -2.805 1.00 54.12 C ATOM 107 CG HIS A 7 -11.946 -11.633 -2.786 1.00 74.35 C ATOM 108 ND1 HIS A 7 -12.177 -12.387 -1.655 1.00 44.32 N ATOM 109 CD2 HIS A 7 -12.722 -12.179 -3.756 1.00 14.12 C ATOM 110 CE1 HIS A 7 -13.046 -13.342 -1.932 1.00 22.33 C ATOM 111 NE2 HIS A 7 -13.393 -13.236 -3.197 1.00 21.51 N ATOM 0 H HIS A 7 -8.690 -9.277 -4.697 1.00 23.44 H new ATOM 0 HA HIS A 7 -8.879 -10.328 -2.742 1.00 74.12 H new ATOM 0 HB2 HIS A 7 -10.867 -10.107 -1.779 1.00 54.12 H new ATOM 0 HB3 HIS A 7 -11.508 -9.631 -3.339 1.00 54.12 H new ATOM 0 HD2 HIS A 7 -12.797 -11.843 -4.780 1.00 14.12 H new ATOM 0 HE1 HIS A 7 -13.410 -14.085 -1.238 1.00 22.33 H new ATOM 0 HE2 HIS A 7 -14.054 -13.842 -3.683 1.00 21.51 H new ATOM 120 N HIS A 8 -8.645 -12.822 -2.777 1.00 51.30 N ATOM 121 CA HIS A 8 -8.310 -14.239 -2.919 1.00 23.04 C ATOM 122 C HIS A 8 -8.433 -14.946 -1.565 1.00 71.00 C ATOM 123 O HIS A 8 -9.531 -15.330 -1.167 1.00 23.40 O ATOM 124 CB HIS A 8 -6.894 -14.397 -3.513 1.00 14.33 C ATOM 125 CG HIS A 8 -6.530 -15.801 -3.927 1.00 13.23 C ATOM 126 ND1 HIS A 8 -6.201 -16.137 -5.223 1.00 2.05 N ATOM 127 CD2 HIS A 8 -6.407 -16.943 -3.207 1.00 73.04 C ATOM 128 CE1 HIS A 8 -5.896 -17.420 -5.279 1.00 63.22 C ATOM 129 NE2 HIS A 8 -6.011 -17.934 -4.070 1.00 13.45 N ATOM 0 H HIS A 8 -8.286 -12.386 -1.928 1.00 51.30 H new ATOM 0 HA HIS A 8 -9.013 -14.707 -3.608 1.00 23.04 H new ATOM 0 HB2 HIS A 8 -6.805 -13.744 -4.381 1.00 14.33 H new ATOM 0 HB3 HIS A 8 -6.167 -14.051 -2.778 1.00 14.33 H new ATOM 0 HD2 HIS A 8 -6.588 -17.053 -2.148 1.00 73.04 H new ATOM 0 HE1 HIS A 8 -5.601 -17.959 -6.167 1.00 63.22 H new ATOM 0 HE2 HIS A 8 -5.835 -18.907 -3.818 1.00 13.45 H new ATOM 138 N MET A 9 -7.313 -15.070 -0.847 1.00 4.00 N ATOM 139 CA MET A 9 -7.274 -15.763 0.445 1.00 53.31 C ATOM 140 C MET A 9 -5.840 -15.789 0.967 1.00 4.51 C ATOM 141 O MET A 9 -4.892 -15.711 0.183 1.00 34.32 O ATOM 142 CB MET A 9 -7.810 -17.204 0.321 1.00 64.34 C ATOM 143 CG MET A 9 -7.819 -17.980 1.636 1.00 72.43 C ATOM 144 SD MET A 9 -8.462 -19.658 1.460 1.00 71.45 S ATOM 145 CE MET A 9 -10.142 -19.329 0.928 1.00 63.11 C ATOM 0 H MET A 9 -6.412 -14.695 -1.143 1.00 4.00 H new ATOM 0 HA MET A 9 -7.912 -15.223 1.144 1.00 53.31 H new ATOM 0 HB2 MET A 9 -8.825 -17.170 -0.076 1.00 64.34 H new ATOM 0 HB3 MET A 9 -7.202 -17.745 -0.404 1.00 64.34 H new ATOM 0 HG2 MET A 9 -6.804 -18.025 2.032 1.00 72.43 H new ATOM 0 HG3 MET A 9 -8.422 -17.440 2.366 1.00 72.43 H new ATOM 0 HE1 MET A 9 -10.761 -20.206 1.116 1.00 63.11 H new ATOM 0 HE2 MET A 9 -10.539 -18.479 1.482 1.00 63.11 H new ATOM 0 HE3 MET A 9 -10.148 -19.102 -0.138 1.00 63.11 H new ATOM 155 N GLY A 10 -5.690 -15.876 2.284 1.00 44.24 N ATOM 156 CA GLY A 10 -4.372 -15.958 2.893 1.00 51.43 C ATOM 157 C GLY A 10 -4.420 -15.594 4.361 1.00 55.52 C ATOM 158 O GLY A 10 -3.821 -14.603 4.788 1.00 11.21 O ATOM 0 H GLY A 10 -6.465 -15.891 2.947 1.00 44.24 H new ATOM 0 HA2 GLY A 10 -3.979 -16.968 2.780 1.00 51.43 H new ATOM 0 HA3 GLY A 10 -3.687 -15.289 2.373 1.00 51.43 H new ATOM 162 N THR A 11 -5.149 -16.386 5.133 1.00 75.13 N ATOM 163 CA THR A 11 -5.350 -16.115 6.548 1.00 70.42 C ATOM 164 C THR A 11 -4.303 -16.848 7.393 1.00 43.42 C ATOM 165 O THR A 11 -4.195 -18.075 7.341 1.00 33.04 O ATOM 166 CB THR A 11 -6.771 -16.538 6.989 1.00 53.31 C ATOM 167 OG1 THR A 11 -7.740 -15.946 6.112 1.00 32.02 O ATOM 168 CG2 THR A 11 -7.056 -16.114 8.428 1.00 23.22 C ATOM 0 H THR A 11 -5.615 -17.229 4.799 1.00 75.13 H new ATOM 0 HA THR A 11 -5.239 -15.042 6.704 1.00 70.42 H new ATOM 0 HB THR A 11 -6.835 -17.625 6.937 1.00 53.31 H new ATOM 0 HG1 THR A 11 -8.640 -16.215 6.390 1.00 32.02 H new ATOM 0 HG21 THR A 11 -8.062 -16.426 8.707 1.00 23.22 H new ATOM 0 HG22 THR A 11 -6.333 -16.583 9.095 1.00 23.22 H new ATOM 0 HG23 THR A 11 -6.977 -15.030 8.510 1.00 23.22 H new ATOM 176 N LEU A 12 -3.526 -16.078 8.150 1.00 41.33 N ATOM 177 CA LEU A 12 -2.504 -16.619 9.041 1.00 52.40 C ATOM 178 C LEU A 12 -2.553 -15.876 10.373 1.00 15.33 C ATOM 179 O LEU A 12 -2.264 -14.679 10.433 1.00 10.13 O ATOM 180 CB LEU A 12 -1.111 -16.477 8.407 1.00 43.54 C ATOM 181 CG LEU A 12 0.062 -17.000 9.257 1.00 3.41 C ATOM 182 CD1 LEU A 12 -0.068 -18.503 9.499 1.00 14.53 C ATOM 183 CD2 LEU A 12 1.401 -16.669 8.596 1.00 54.02 C ATOM 0 H LEU A 12 -3.587 -15.060 8.163 1.00 41.33 H new ATOM 0 HA LEU A 12 -2.698 -17.678 9.208 1.00 52.40 H new ATOM 0 HB2 LEU A 12 -1.110 -17.005 7.454 1.00 43.54 H new ATOM 0 HB3 LEU A 12 -0.937 -15.424 8.188 1.00 43.54 H new ATOM 0 HG LEU A 12 0.028 -16.499 10.224 1.00 3.41 H new ATOM 0 HD11 LEU A 12 0.772 -18.849 10.101 1.00 14.53 H new ATOM 0 HD12 LEU A 12 -1.000 -18.707 10.025 1.00 14.53 H new ATOM 0 HD13 LEU A 12 -0.069 -19.027 8.543 1.00 14.53 H new ATOM 0 HD21 LEU A 12 2.215 -17.048 9.214 1.00 54.02 H new ATOM 0 HD22 LEU A 12 1.446 -17.135 7.611 1.00 54.02 H new ATOM 0 HD23 LEU A 12 1.498 -15.588 8.491 1.00 54.02 H new ATOM 195 N GLU A 13 -2.940 -16.578 11.429 1.00 54.32 N ATOM 196 CA GLU A 13 -3.065 -15.977 12.753 1.00 55.12 C ATOM 197 C GLU A 13 -1.690 -15.786 13.390 1.00 70.34 C ATOM 198 O GLU A 13 -1.283 -16.563 14.251 1.00 4.51 O ATOM 199 CB GLU A 13 -3.955 -16.852 13.644 1.00 14.03 C ATOM 200 CG GLU A 13 -5.340 -17.097 13.056 1.00 20.55 C ATOM 201 CD GLU A 13 -6.099 -18.193 13.784 1.00 71.32 C ATOM 202 OE1 GLU A 13 -5.618 -19.347 13.785 1.00 35.44 O ATOM 203 OE2 GLU A 13 -7.186 -17.915 14.333 1.00 21.25 O ATOM 0 H GLU A 13 -3.174 -17.570 11.395 1.00 54.32 H new ATOM 0 HA GLU A 13 -3.529 -14.996 12.649 1.00 55.12 H new ATOM 0 HB2 GLU A 13 -3.463 -17.811 13.808 1.00 14.03 H new ATOM 0 HB3 GLU A 13 -4.061 -16.377 14.619 1.00 14.03 H new ATOM 0 HG2 GLU A 13 -5.916 -16.173 13.096 1.00 20.55 H new ATOM 0 HG3 GLU A 13 -5.242 -17.366 12.004 1.00 20.55 H new ATOM 210 N ALA A 14 -0.972 -14.772 12.924 1.00 0.23 N ATOM 211 CA ALA A 14 0.343 -14.427 13.458 1.00 1.21 C ATOM 212 C ALA A 14 0.709 -13.011 13.029 1.00 55.22 C ATOM 213 O ALA A 14 1.231 -12.799 11.931 1.00 71.14 O ATOM 214 CB ALA A 14 1.401 -15.428 12.991 1.00 21.21 C ATOM 0 H ALA A 14 -1.283 -14.165 12.166 1.00 0.23 H new ATOM 0 HA ALA A 14 0.307 -14.471 14.547 1.00 1.21 H new ATOM 0 HB1 ALA A 14 2.372 -15.150 13.402 1.00 21.21 H new ATOM 0 HB2 ALA A 14 1.134 -16.427 13.336 1.00 21.21 H new ATOM 0 HB3 ALA A 14 1.452 -15.422 11.902 1.00 21.21 H new ATOM 220 N GLN A 15 0.397 -12.044 13.886 1.00 33.14 N ATOM 221 CA GLN A 15 0.580 -10.632 13.559 1.00 61.30 C ATOM 222 C GLN A 15 1.951 -10.135 14.010 1.00 61.43 C ATOM 223 O GLN A 15 2.554 -10.684 14.938 1.00 53.05 O ATOM 224 CB GLN A 15 -0.527 -9.772 14.204 1.00 10.51 C ATOM 225 CG GLN A 15 -0.326 -9.477 15.695 1.00 61.01 C ATOM 226 CD GLN A 15 -0.352 -10.717 16.577 1.00 22.31 C ATOM 227 OE1 GLN A 15 -1.040 -11.694 16.282 1.00 1.21 O ATOM 228 NE2 GLN A 15 0.402 -10.685 17.666 1.00 4.31 N ATOM 0 H GLN A 15 0.015 -12.212 14.816 1.00 33.14 H new ATOM 0 HA GLN A 15 0.516 -10.535 12.475 1.00 61.30 H new ATOM 0 HB2 GLN A 15 -0.592 -8.826 13.667 1.00 10.51 H new ATOM 0 HB3 GLN A 15 -1.483 -10.279 14.074 1.00 10.51 H new ATOM 0 HG2 GLN A 15 0.628 -8.967 15.829 1.00 61.01 H new ATOM 0 HG3 GLN A 15 -1.104 -8.790 16.028 1.00 61.01 H new ATOM 0 HE21 GLN A 15 0.959 -9.857 17.877 1.00 4.31 H new ATOM 0 HE22 GLN A 15 0.426 -11.489 18.294 1.00 4.31 H new ATOM 237 N THR A 16 2.431 -9.096 13.343 1.00 41.40 N ATOM 238 CA THR A 16 3.671 -8.437 13.718 1.00 60.04 C ATOM 239 C THR A 16 3.641 -6.981 13.257 1.00 75.21 C ATOM 240 O THR A 16 2.649 -6.520 12.685 1.00 41.40 O ATOM 241 CB THR A 16 4.909 -9.162 13.125 1.00 31.14 C ATOM 242 OG1 THR A 16 6.117 -8.541 13.598 1.00 2.43 O ATOM 243 CG2 THR A 16 4.888 -9.144 11.598 1.00 61.10 C ATOM 0 H THR A 16 1.972 -8.688 12.529 1.00 41.40 H new ATOM 0 HA THR A 16 3.758 -8.475 14.804 1.00 60.04 H new ATOM 0 HB THR A 16 4.876 -10.200 13.455 1.00 31.14 H new ATOM 0 HG1 THR A 16 6.469 -7.941 12.907 1.00 2.43 H new ATOM 0 HG21 THR A 16 5.769 -9.660 11.216 1.00 61.10 H new ATOM 0 HG22 THR A 16 3.989 -9.647 11.241 1.00 61.10 H new ATOM 0 HG23 THR A 16 4.891 -8.112 11.246 1.00 61.10 H new ATOM 251 N GLN A 17 4.723 -6.264 13.517 1.00 0.21 N ATOM 252 CA GLN A 17 4.838 -4.859 13.140 1.00 45.05 C ATOM 253 C GLN A 17 6.242 -4.597 12.613 1.00 2.11 C ATOM 254 O GLN A 17 6.420 -3.880 11.624 1.00 43.03 O ATOM 255 CB GLN A 17 4.512 -3.957 14.350 1.00 10.13 C ATOM 256 CG GLN A 17 4.394 -2.461 14.029 1.00 44.01 C ATOM 257 CD GLN A 17 5.706 -1.696 14.167 1.00 32.12 C ATOM 258 OE1 GLN A 17 6.025 -1.176 15.237 1.00 72.45 O ATOM 259 NE2 GLN A 17 6.471 -1.615 13.090 1.00 71.23 N ATOM 0 H GLN A 17 5.545 -6.635 13.993 1.00 0.21 H new ATOM 0 HA GLN A 17 4.122 -4.625 12.352 1.00 45.05 H new ATOM 0 HB2 GLN A 17 3.575 -4.293 14.793 1.00 10.13 H new ATOM 0 HB3 GLN A 17 5.287 -4.092 15.104 1.00 10.13 H new ATOM 0 HG2 GLN A 17 4.023 -2.346 13.011 1.00 44.01 H new ATOM 0 HG3 GLN A 17 3.652 -2.014 14.691 1.00 44.01 H new ATOM 0 HE21 GLN A 17 6.175 -2.058 12.220 1.00 71.23 H new ATOM 0 HE22 GLN A 17 7.356 -1.110 13.130 1.00 71.23 H new ATOM 268 N GLY A 18 7.228 -5.201 13.277 1.00 5.30 N ATOM 269 CA GLY A 18 8.609 -5.084 12.848 1.00 61.55 C ATOM 270 C GLY A 18 9.115 -3.657 12.903 1.00 10.10 C ATOM 271 O GLY A 18 8.829 -2.937 13.864 1.00 35.05 O ATOM 0 H GLY A 18 7.090 -5.773 14.110 1.00 5.30 H new ATOM 0 HA2 GLY A 18 9.237 -5.713 13.479 1.00 61.55 H new ATOM 0 HA3 GLY A 18 8.703 -5.460 11.829 1.00 61.55 H new ATOM 275 N PRO A 19 9.890 -3.220 11.896 1.00 41.22 N ATOM 276 CA PRO A 19 10.352 -1.845 11.798 1.00 14.41 C ATOM 277 C PRO A 19 9.296 -0.962 11.132 1.00 50.02 C ATOM 278 O PRO A 19 8.571 -0.230 11.809 1.00 1.44 O ATOM 279 CB PRO A 19 11.634 -1.951 10.941 1.00 11.34 C ATOM 280 CG PRO A 19 11.725 -3.386 10.493 1.00 21.45 C ATOM 281 CD PRO A 19 10.389 -4.024 10.777 1.00 54.32 C ATOM 0 HA PRO A 19 10.540 -1.385 12.768 1.00 14.41 H new ATOM 0 HB2 PRO A 19 11.586 -1.279 10.085 1.00 11.34 H new ATOM 0 HB3 PRO A 19 12.513 -1.668 11.520 1.00 11.34 H new ATOM 0 HG2 PRO A 19 11.961 -3.444 9.431 1.00 21.45 H new ATOM 0 HG3 PRO A 19 12.521 -3.906 11.025 1.00 21.45 H new ATOM 0 HD2 PRO A 19 9.724 -3.977 9.914 1.00 54.32 H new ATOM 0 HD3 PRO A 19 10.489 -5.076 11.045 1.00 54.32 H new ATOM 289 N GLY A 20 9.195 -1.060 9.804 1.00 3.24 N ATOM 290 CA GLY A 20 8.168 -0.344 9.069 1.00 52.32 C ATOM 291 C GLY A 20 8.232 1.157 9.275 1.00 61.03 C ATOM 292 O GLY A 20 7.198 1.826 9.306 1.00 73.14 O ATOM 0 H GLY A 20 9.813 -1.628 9.224 1.00 3.24 H new ATOM 0 HA2 GLY A 20 8.269 -0.564 8.006 1.00 52.32 H new ATOM 0 HA3 GLY A 20 7.188 -0.707 9.378 1.00 52.32 H new ATOM 296 N SER A 21 9.445 1.687 9.390 1.00 41.24 N ATOM 297 CA SER A 21 9.649 3.113 9.625 1.00 30.15 C ATOM 298 C SER A 21 9.239 3.916 8.392 1.00 40.40 C ATOM 299 O SER A 21 8.770 5.052 8.496 1.00 1.24 O ATOM 300 CB SER A 21 11.117 3.383 9.985 1.00 72.43 C ATOM 301 OG SER A 21 11.331 4.746 10.327 1.00 54.20 O ATOM 0 H SER A 21 10.308 1.147 9.324 1.00 41.24 H new ATOM 0 HA SER A 21 9.024 3.427 10.461 1.00 30.15 H new ATOM 0 HB2 SER A 21 11.410 2.748 10.821 1.00 72.43 H new ATOM 0 HB3 SER A 21 11.754 3.115 9.142 1.00 72.43 H new ATOM 0 HG SER A 21 12.275 4.882 10.552 1.00 54.20 H new ATOM 307 N MET A 22 9.417 3.311 7.221 1.00 14.44 N ATOM 308 CA MET A 22 9.032 3.936 5.956 1.00 0.52 C ATOM 309 C MET A 22 7.621 3.513 5.561 1.00 23.53 C ATOM 310 O MET A 22 7.126 3.869 4.490 1.00 1.25 O ATOM 311 CB MET A 22 10.025 3.551 4.853 1.00 42.43 C ATOM 312 CG MET A 22 11.445 4.024 5.121 1.00 50.30 C ATOM 313 SD MET A 22 11.588 5.824 5.184 1.00 13.43 S ATOM 314 CE MET A 22 11.017 6.284 3.546 1.00 2.41 C ATOM 0 H MET A 22 9.828 2.383 7.120 1.00 14.44 H new ATOM 0 HA MET A 22 9.048 5.018 6.084 1.00 0.52 H new ATOM 0 HB2 MET A 22 10.027 2.467 4.740 1.00 42.43 H new ATOM 0 HB3 MET A 22 9.684 3.970 3.906 1.00 42.43 H new ATOM 0 HG2 MET A 22 11.790 3.604 6.066 1.00 50.30 H new ATOM 0 HG3 MET A 22 12.103 3.640 4.342 1.00 50.30 H new ATOM 0 HE1 MET A 22 11.611 7.119 3.175 1.00 2.41 H new ATOM 0 HE2 MET A 22 11.123 5.434 2.872 1.00 2.41 H new ATOM 0 HE3 MET A 22 9.969 6.579 3.596 1.00 2.41 H new ATOM 324 N ILE A 23 6.977 2.754 6.443 1.00 63.13 N ATOM 325 CA ILE A 23 5.649 2.218 6.181 1.00 43.25 C ATOM 326 C ILE A 23 4.664 2.740 7.226 1.00 43.21 C ATOM 327 O ILE A 23 4.661 2.282 8.371 1.00 53.54 O ATOM 328 CB ILE A 23 5.651 0.666 6.205 1.00 0.21 C ATOM 329 CG1 ILE A 23 6.804 0.099 5.353 1.00 11.42 C ATOM 330 CG2 ILE A 23 4.308 0.126 5.720 1.00 21.34 C ATOM 331 CD1 ILE A 23 6.735 0.465 3.883 1.00 72.44 C ATOM 0 H ILE A 23 7.359 2.496 7.353 1.00 63.13 H new ATOM 0 HA ILE A 23 5.345 2.546 5.187 1.00 43.25 H new ATOM 0 HB ILE A 23 5.806 0.343 7.234 1.00 0.21 H new ATOM 0 HG12 ILE A 23 7.750 0.456 5.760 1.00 11.42 H new ATOM 0 HG13 ILE A 23 6.807 -0.987 5.445 1.00 11.42 H new ATOM 0 HG21 ILE A 23 4.324 -0.964 5.742 1.00 21.34 H new ATOM 0 HG22 ILE A 23 3.513 0.490 6.371 1.00 21.34 H new ATOM 0 HG23 ILE A 23 4.126 0.465 4.700 1.00 21.34 H new ATOM 0 HD11 ILE A 23 7.583 0.025 3.358 1.00 72.44 H new ATOM 0 HD12 ILE A 23 5.807 0.084 3.456 1.00 72.44 H new ATOM 0 HD13 ILE A 23 6.765 1.549 3.776 1.00 72.44 H new ATOM 343 N GLU A 24 3.831 3.689 6.826 1.00 61.34 N ATOM 344 CA GLU A 24 2.877 4.331 7.730 1.00 31.52 C ATOM 345 C GLU A 24 1.838 3.320 8.246 1.00 32.03 C ATOM 346 O GLU A 24 1.686 2.230 7.688 1.00 15.33 O ATOM 347 CB GLU A 24 2.188 5.495 6.994 1.00 61.13 C ATOM 348 CG GLU A 24 1.189 6.290 7.833 1.00 34.12 C ATOM 349 CD GLU A 24 1.818 6.962 9.042 1.00 52.23 C ATOM 350 OE1 GLU A 24 2.280 8.116 8.920 1.00 22.21 O ATOM 351 OE2 GLU A 24 1.832 6.346 10.126 1.00 35.43 O ATOM 0 H GLU A 24 3.794 4.038 5.868 1.00 61.34 H new ATOM 0 HA GLU A 24 3.413 4.718 8.597 1.00 31.52 H new ATOM 0 HB2 GLU A 24 2.955 6.177 6.627 1.00 61.13 H new ATOM 0 HB3 GLU A 24 1.671 5.097 6.121 1.00 61.13 H new ATOM 0 HG2 GLU A 24 0.722 7.050 7.206 1.00 34.12 H new ATOM 0 HG3 GLU A 24 0.395 5.623 8.169 1.00 34.12 H new ATOM 358 N GLN A 25 1.178 3.652 9.351 1.00 53.42 N ATOM 359 CA GLN A 25 0.056 2.869 9.863 1.00 70.40 C ATOM 360 C GLN A 25 -1.063 3.802 10.332 1.00 62.43 C ATOM 361 O GLN A 25 -0.803 4.785 11.031 1.00 71.13 O ATOM 362 CB GLN A 25 0.518 1.934 10.991 1.00 14.31 C ATOM 363 CG GLN A 25 -0.606 1.103 11.602 1.00 34.31 C ATOM 364 CD GLN A 25 -0.099 -0.123 12.340 1.00 45.22 C ATOM 365 OE1 GLN A 25 0.225 -0.061 13.520 1.00 54.15 O ATOM 366 NE2 GLN A 25 -0.054 -1.259 11.655 1.00 10.24 N ATOM 0 H GLN A 25 1.404 4.470 9.917 1.00 53.42 H new ATOM 0 HA GLN A 25 -0.337 2.245 9.060 1.00 70.40 H new ATOM 0 HB2 GLN A 25 1.284 1.262 10.603 1.00 14.31 H new ATOM 0 HB3 GLN A 25 0.985 2.530 11.776 1.00 14.31 H new ATOM 0 HG2 GLN A 25 -1.178 1.725 12.291 1.00 34.31 H new ATOM 0 HG3 GLN A 25 -1.290 0.789 10.813 1.00 34.31 H new ATOM 0 HE21 GLN A 25 -0.331 -1.274 10.674 1.00 10.24 H new ATOM 0 HE22 GLN A 25 0.258 -2.117 12.110 1.00 10.24 H new ATOM 375 N ILE A 26 -2.300 3.494 9.944 1.00 25.31 N ATOM 376 CA ILE A 26 -3.449 4.364 10.210 1.00 32.02 C ATOM 377 C ILE A 26 -4.674 3.550 10.630 1.00 20.20 C ATOM 378 O ILE A 26 -4.612 2.319 10.723 1.00 22.01 O ATOM 379 CB ILE A 26 -3.809 5.208 8.959 1.00 53.41 C ATOM 380 CG1 ILE A 26 -4.070 4.285 7.752 1.00 64.33 C ATOM 381 CG2 ILE A 26 -2.703 6.220 8.651 1.00 43.00 C ATOM 382 CD1 ILE A 26 -4.505 5.011 6.497 1.00 22.21 C ATOM 0 H ILE A 26 -2.535 2.640 9.439 1.00 25.31 H new ATOM 0 HA ILE A 26 -3.164 5.029 11.025 1.00 32.02 H new ATOM 0 HB ILE A 26 -4.721 5.767 9.166 1.00 53.41 H new ATOM 0 HG12 ILE A 26 -3.162 3.722 7.536 1.00 64.33 H new ATOM 0 HG13 ILE A 26 -4.837 3.560 8.023 1.00 64.33 H new ATOM 0 HG21 ILE A 26 -2.976 6.801 7.770 1.00 43.00 H new ATOM 0 HG22 ILE A 26 -2.575 6.889 9.502 1.00 43.00 H new ATOM 0 HG23 ILE A 26 -1.769 5.692 8.461 1.00 43.00 H new ATOM 0 HD11 ILE A 26 -4.667 4.289 5.697 1.00 22.21 H new ATOM 0 HD12 ILE A 26 -5.431 5.551 6.692 1.00 22.21 H new ATOM 0 HD13 ILE A 26 -3.730 5.716 6.198 1.00 22.21 H new ATOM 394 N GLY A 27 -5.780 4.250 10.898 1.00 71.01 N ATOM 395 CA GLY A 27 -7.023 3.598 11.289 1.00 63.24 C ATOM 396 C GLY A 27 -8.060 3.576 10.172 1.00 11.34 C ATOM 397 O GLY A 27 -7.845 4.151 9.100 1.00 21.33 O ATOM 0 H GLY A 27 -5.835 5.267 10.850 1.00 71.01 H new ATOM 0 HA2 GLY A 27 -6.809 2.575 11.599 1.00 63.24 H new ATOM 0 HA3 GLY A 27 -7.440 4.112 12.155 1.00 63.24 H new ATOM 401 N ASP A 28 -9.199 2.933 10.448 1.00 20.01 N ATOM 402 CA ASP A 28 -10.289 2.759 9.471 1.00 13.31 C ATOM 403 C ASP A 28 -10.699 4.089 8.837 1.00 11.33 C ATOM 404 O ASP A 28 -10.654 4.250 7.613 1.00 10.13 O ATOM 405 CB ASP A 28 -11.502 2.117 10.169 1.00 0.03 C ATOM 406 CG ASP A 28 -12.748 2.020 9.292 1.00 22.45 C ATOM 407 OD1 ASP A 28 -12.904 1.015 8.568 1.00 41.44 O ATOM 408 OD2 ASP A 28 -13.595 2.934 9.352 1.00 32.25 O ATOM 0 H ASP A 28 -9.396 2.515 11.358 1.00 20.01 H new ATOM 0 HA ASP A 28 -9.929 2.110 8.673 1.00 13.31 H new ATOM 0 HB2 ASP A 28 -11.227 1.116 10.503 1.00 0.03 H new ATOM 0 HB3 ASP A 28 -11.743 2.696 11.061 1.00 0.03 H new ATOM 413 N SER A 29 -11.073 5.043 9.681 1.00 73.42 N ATOM 414 CA SER A 29 -11.568 6.339 9.224 1.00 40.54 C ATOM 415 C SER A 29 -10.498 7.103 8.440 1.00 4.02 C ATOM 416 O SER A 29 -10.816 7.911 7.562 1.00 74.13 O ATOM 417 CB SER A 29 -12.037 7.173 10.426 1.00 25.12 C ATOM 418 OG SER A 29 -12.533 8.440 10.019 1.00 54.13 O ATOM 0 H SER A 29 -11.043 4.943 10.696 1.00 73.42 H new ATOM 0 HA SER A 29 -12.409 6.161 8.554 1.00 40.54 H new ATOM 0 HB2 SER A 29 -12.816 6.632 10.964 1.00 25.12 H new ATOM 0 HB3 SER A 29 -11.208 7.312 11.120 1.00 25.12 H new ATOM 0 HG SER A 29 -12.825 8.945 10.806 1.00 54.13 H new ATOM 424 N GLU A 30 -9.233 6.834 8.744 1.00 10.23 N ATOM 425 CA GLU A 30 -8.128 7.578 8.146 1.00 71.21 C ATOM 426 C GLU A 30 -7.812 7.088 6.738 1.00 61.51 C ATOM 427 O GLU A 30 -7.249 7.832 5.939 1.00 51.33 O ATOM 428 CB GLU A 30 -6.871 7.477 9.015 1.00 72.55 C ATOM 429 CG GLU A 30 -7.072 7.958 10.445 1.00 52.23 C ATOM 430 CD GLU A 30 -5.758 8.134 11.188 1.00 44.30 C ATOM 431 OE1 GLU A 30 -5.133 7.117 11.551 1.00 52.12 O ATOM 432 OE2 GLU A 30 -5.344 9.293 11.408 1.00 33.55 O ATOM 0 H GLU A 30 -8.946 6.107 9.400 1.00 10.23 H new ATOM 0 HA GLU A 30 -8.443 8.620 8.084 1.00 71.21 H new ATOM 0 HB2 GLU A 30 -6.536 6.440 9.034 1.00 72.55 H new ATOM 0 HB3 GLU A 30 -6.074 8.061 8.554 1.00 72.55 H new ATOM 0 HG2 GLU A 30 -7.610 8.906 10.434 1.00 52.23 H new ATOM 0 HG3 GLU A 30 -7.696 7.243 10.981 1.00 52.23 H new ATOM 439 N PHE A 31 -8.183 5.840 6.441 1.00 61.22 N ATOM 440 CA PHE A 31 -7.829 5.203 5.167 1.00 54.51 C ATOM 441 C PHE A 31 -8.119 6.115 3.975 1.00 2.23 C ATOM 442 O PHE A 31 -7.199 6.517 3.261 1.00 71.00 O ATOM 443 CB PHE A 31 -8.588 3.877 5.011 1.00 32.42 C ATOM 444 CG PHE A 31 -8.316 3.164 3.705 1.00 30.04 C ATOM 445 CD1 PHE A 31 -7.150 2.431 3.526 1.00 14.03 C ATOM 446 CD2 PHE A 31 -9.228 3.223 2.661 1.00 32.24 C ATOM 447 CE1 PHE A 31 -6.905 1.775 2.335 1.00 13.40 C ATOM 448 CE2 PHE A 31 -8.985 2.569 1.470 1.00 60.01 C ATOM 449 CZ PHE A 31 -7.822 1.843 1.307 1.00 11.04 C ATOM 0 H PHE A 31 -8.730 5.248 7.066 1.00 61.22 H new ATOM 0 HA PHE A 31 -6.756 5.009 5.182 1.00 54.51 H new ATOM 0 HB2 PHE A 31 -8.320 3.217 5.836 1.00 32.42 H new ATOM 0 HB3 PHE A 31 -9.658 4.070 5.092 1.00 32.42 H new ATOM 0 HD1 PHE A 31 -6.427 2.373 4.326 1.00 14.03 H new ATOM 0 HD2 PHE A 31 -10.140 3.788 2.782 1.00 32.24 H new ATOM 0 HE1 PHE A 31 -5.994 1.208 2.209 1.00 13.40 H new ATOM 0 HE2 PHE A 31 -9.704 2.625 0.666 1.00 60.01 H new ATOM 0 HZ PHE A 31 -7.631 1.329 0.376 1.00 11.04 H new ATOM 459 N ASP A 32 -9.389 6.469 3.795 1.00 44.12 N ATOM 460 CA ASP A 32 -9.817 7.262 2.639 1.00 4.03 C ATOM 461 C ASP A 32 -9.006 8.550 2.545 1.00 0.22 C ATOM 462 O ASP A 32 -8.387 8.845 1.515 1.00 2.52 O ATOM 463 CB ASP A 32 -11.313 7.605 2.736 1.00 13.25 C ATOM 464 CG ASP A 32 -12.183 6.390 3.012 1.00 2.32 C ATOM 465 OD1 ASP A 32 -12.518 5.654 2.059 1.00 54.15 O ATOM 466 OD2 ASP A 32 -12.536 6.167 4.191 1.00 31.01 O ATOM 0 H ASP A 32 -10.143 6.220 4.435 1.00 44.12 H new ATOM 0 HA ASP A 32 -9.648 6.665 1.743 1.00 4.03 H new ATOM 0 HB2 ASP A 32 -11.461 8.339 3.528 1.00 13.25 H new ATOM 0 HB3 ASP A 32 -11.634 8.071 1.805 1.00 13.25 H new ATOM 471 N ASN A 33 -8.996 9.291 3.648 1.00 13.03 N ATOM 472 CA ASN A 33 -8.318 10.582 3.721 1.00 72.13 C ATOM 473 C ASN A 33 -6.847 10.459 3.343 1.00 32.34 C ATOM 474 O ASN A 33 -6.386 11.099 2.401 1.00 54.43 O ATOM 475 CB ASN A 33 -8.445 11.161 5.135 1.00 13.33 C ATOM 476 CG ASN A 33 -9.866 11.581 5.463 1.00 44.34 C ATOM 477 OD1 ASN A 33 -10.626 11.986 4.581 1.00 72.44 O ATOM 478 ND2 ASN A 33 -10.236 11.479 6.727 1.00 12.11 N ATOM 0 H ASN A 33 -9.456 9.015 4.515 1.00 13.03 H new ATOM 0 HA ASN A 33 -8.796 11.253 3.008 1.00 72.13 H new ATOM 0 HB2 ASN A 33 -8.112 10.418 5.860 1.00 13.33 H new ATOM 0 HB3 ASN A 33 -7.783 12.021 5.233 1.00 13.33 H new ATOM 0 HD21 ASN A 33 -11.182 11.740 7.004 1.00 12.11 H new ATOM 0 HD22 ASN A 33 -9.575 11.139 7.426 1.00 12.11 H new ATOM 485 N LYS A 34 -6.131 9.605 4.064 1.00 71.22 N ATOM 486 CA LYS A 34 -4.693 9.431 3.870 1.00 23.01 C ATOM 487 C LYS A 34 -4.380 9.004 2.436 1.00 74.32 C ATOM 488 O LYS A 34 -3.361 9.404 1.872 1.00 12.12 O ATOM 489 CB LYS A 34 -4.150 8.395 4.862 1.00 73.51 C ATOM 490 CG LYS A 34 -4.285 8.809 6.329 1.00 54.34 C ATOM 491 CD LYS A 34 -3.329 9.942 6.704 1.00 53.22 C ATOM 492 CE LYS A 34 -3.409 10.282 8.189 1.00 30.03 C ATOM 493 NZ LYS A 34 -2.417 11.321 8.580 1.00 41.54 N ATOM 0 H LYS A 34 -6.526 9.015 4.796 1.00 71.22 H new ATOM 0 HA LYS A 34 -4.206 10.389 4.052 1.00 23.01 H new ATOM 0 HB2 LYS A 34 -4.676 7.452 4.711 1.00 73.51 H new ATOM 0 HB3 LYS A 34 -3.098 8.212 4.642 1.00 73.51 H new ATOM 0 HG2 LYS A 34 -5.311 9.123 6.522 1.00 54.34 H new ATOM 0 HG3 LYS A 34 -4.090 7.947 6.967 1.00 54.34 H new ATOM 0 HD2 LYS A 34 -2.308 9.655 6.451 1.00 53.22 H new ATOM 0 HD3 LYS A 34 -3.566 10.828 6.115 1.00 53.22 H new ATOM 0 HE2 LYS A 34 -4.413 10.633 8.427 1.00 30.03 H new ATOM 0 HE3 LYS A 34 -3.239 9.380 8.777 1.00 30.03 H new ATOM 0 HZ1 LYS A 34 -2.506 11.521 9.597 1.00 41.54 H new ATOM 0 HZ2 LYS A 34 -1.456 10.977 8.378 1.00 41.54 H new ATOM 0 HZ3 LYS A 34 -2.594 12.191 8.039 1.00 41.54 H new ATOM 507 N VAL A 35 -5.264 8.195 1.855 1.00 34.02 N ATOM 508 CA VAL A 35 -5.105 7.738 0.476 1.00 0.02 C ATOM 509 C VAL A 35 -5.197 8.905 -0.512 1.00 52.31 C ATOM 510 O VAL A 35 -4.278 9.142 -1.295 1.00 21.54 O ATOM 511 CB VAL A 35 -6.159 6.655 0.110 1.00 21.34 C ATOM 512 CG1 VAL A 35 -6.209 6.420 -1.401 1.00 22.14 C ATOM 513 CG2 VAL A 35 -5.863 5.346 0.844 1.00 0.24 C ATOM 0 H VAL A 35 -6.100 7.842 2.320 1.00 34.02 H new ATOM 0 HA VAL A 35 -4.112 7.295 0.402 1.00 0.02 H new ATOM 0 HB VAL A 35 -7.136 7.019 0.427 1.00 21.34 H new ATOM 0 HG11 VAL A 35 -6.955 5.658 -1.626 1.00 22.14 H new ATOM 0 HG12 VAL A 35 -6.476 7.349 -1.905 1.00 22.14 H new ATOM 0 HG13 VAL A 35 -5.232 6.086 -1.750 1.00 22.14 H new ATOM 0 HG21 VAL A 35 -6.611 4.601 0.575 1.00 0.24 H new ATOM 0 HG22 VAL A 35 -4.874 4.986 0.561 1.00 0.24 H new ATOM 0 HG23 VAL A 35 -5.892 5.518 1.920 1.00 0.24 H new ATOM 523 N THR A 36 -6.301 9.642 -0.472 1.00 14.54 N ATOM 524 CA THR A 36 -6.531 10.713 -1.442 1.00 63.23 C ATOM 525 C THR A 36 -5.889 12.041 -1.003 1.00 20.13 C ATOM 526 O THR A 36 -5.975 13.040 -1.716 1.00 4.31 O ATOM 527 CB THR A 36 -8.046 10.905 -1.719 1.00 25.01 C ATOM 528 OG1 THR A 36 -8.263 11.970 -2.659 1.00 33.44 O ATOM 529 CG2 THR A 36 -8.809 11.189 -0.437 1.00 3.01 C ATOM 0 H THR A 36 -7.046 9.522 0.214 1.00 14.54 H new ATOM 0 HA THR A 36 -6.047 10.406 -2.369 1.00 63.23 H new ATOM 0 HB THR A 36 -8.419 9.974 -2.145 1.00 25.01 H new ATOM 0 HG1 THR A 36 -7.483 12.564 -2.666 1.00 33.44 H new ATOM 0 HG21 THR A 36 -9.867 11.319 -0.664 1.00 3.01 H new ATOM 0 HG22 THR A 36 -8.686 10.354 0.252 1.00 3.01 H new ATOM 0 HG23 THR A 36 -8.423 12.099 0.022 1.00 3.01 H new ATOM 537 N SER A 37 -5.237 12.047 0.161 1.00 34.01 N ATOM 538 CA SER A 37 -4.504 13.227 0.637 1.00 51.45 C ATOM 539 C SER A 37 -3.232 13.459 -0.190 1.00 50.40 C ATOM 540 O SER A 37 -2.533 14.460 -0.010 1.00 34.14 O ATOM 541 CB SER A 37 -4.147 13.060 2.123 1.00 71.21 C ATOM 542 OG SER A 37 -3.500 14.214 2.640 1.00 72.15 O ATOM 0 H SER A 37 -5.200 11.248 0.794 1.00 34.01 H new ATOM 0 HA SER A 37 -5.147 14.099 0.518 1.00 51.45 H new ATOM 0 HB2 SER A 37 -5.054 12.864 2.695 1.00 71.21 H new ATOM 0 HB3 SER A 37 -3.498 12.193 2.246 1.00 71.21 H new ATOM 0 HG SER A 37 -2.958 14.628 1.936 1.00 72.15 H new ATOM 548 N CYS A 38 -2.942 12.522 -1.085 1.00 13.44 N ATOM 549 CA CYS A 38 -1.756 12.583 -1.932 1.00 63.33 C ATOM 550 C CYS A 38 -1.821 13.758 -2.918 1.00 72.52 C ATOM 551 O CYS A 38 -2.903 14.263 -3.235 1.00 40.30 O ATOM 552 CB CYS A 38 -1.623 11.264 -2.691 1.00 43.23 C ATOM 553 SG CYS A 38 -3.138 10.769 -3.541 1.00 11.31 S ATOM 0 H CYS A 38 -3.522 11.698 -1.244 1.00 13.44 H new ATOM 0 HA CYS A 38 -0.884 12.742 -1.298 1.00 63.33 H new ATOM 0 HB2 CYS A 38 -0.818 11.353 -3.421 1.00 43.23 H new ATOM 0 HB3 CYS A 38 -1.334 10.479 -1.992 1.00 43.23 H new ATOM 0 HG CYS A 38 -3.861 10.036 -2.748 1.00 11.31 H new ATOM 559 N ASN A 39 -0.651 14.178 -3.402 1.00 51.12 N ATOM 560 CA ASN A 39 -0.547 15.283 -4.359 1.00 21.31 C ATOM 561 C ASN A 39 -0.927 14.816 -5.763 1.00 12.52 C ATOM 562 O ASN A 39 -2.044 15.056 -6.225 1.00 52.45 O ATOM 563 CB ASN A 39 0.879 15.857 -4.363 1.00 15.31 C ATOM 564 CG ASN A 39 1.282 16.451 -3.024 1.00 5.45 C ATOM 565 OD1 ASN A 39 0.450 16.990 -2.293 1.00 63.31 O ATOM 566 ND2 ASN A 39 2.558 16.346 -2.693 1.00 30.45 N ATOM 0 H ASN A 39 0.246 13.766 -3.145 1.00 51.12 H new ATOM 0 HA ASN A 39 -1.241 16.066 -4.053 1.00 21.31 H new ATOM 0 HB2 ASN A 39 1.582 15.068 -4.631 1.00 15.31 H new ATOM 0 HB3 ASN A 39 0.954 16.625 -5.133 1.00 15.31 H new ATOM 0 HD21 ASN A 39 2.886 16.719 -1.802 1.00 30.45 H new ATOM 0 HD22 ASN A 39 3.214 15.892 -3.328 1.00 30.45 H new ATOM 573 N ASP A 40 0.012 14.152 -6.437 1.00 63.35 N ATOM 574 CA ASP A 40 -0.230 13.579 -7.759 1.00 43.31 C ATOM 575 C ASP A 40 0.828 12.530 -8.073 1.00 72.11 C ATOM 576 O ASP A 40 1.962 12.629 -7.600 1.00 24.44 O ATOM 577 CB ASP A 40 -0.241 14.660 -8.851 1.00 73.43 C ATOM 578 CG ASP A 40 -0.345 14.068 -10.252 1.00 32.30 C ATOM 579 OD1 ASP A 40 -1.233 13.219 -10.483 1.00 13.54 O ATOM 580 OD2 ASP A 40 0.472 14.435 -11.122 1.00 15.24 O ATOM 0 H ASP A 40 0.956 13.997 -6.084 1.00 63.35 H new ATOM 0 HA ASP A 40 -1.214 13.110 -7.745 1.00 43.31 H new ATOM 0 HB2 ASP A 40 -1.079 15.336 -8.682 1.00 73.43 H new ATOM 0 HB3 ASP A 40 0.669 15.256 -8.778 1.00 73.43 H new ATOM 585 N ASN A 41 0.437 11.516 -8.846 1.00 71.32 N ATOM 586 CA ASN A 41 1.330 10.417 -9.242 1.00 42.31 C ATOM 587 C ASN A 41 1.797 9.610 -8.023 1.00 62.13 C ATOM 588 O ASN A 41 2.562 8.654 -8.154 1.00 34.32 O ATOM 589 CB ASN A 41 2.541 10.960 -10.028 1.00 51.41 C ATOM 590 CG ASN A 41 3.373 9.871 -10.702 1.00 5.30 C ATOM 591 OD1 ASN A 41 4.598 9.977 -10.798 1.00 12.42 O ATOM 592 ND2 ASN A 41 2.712 8.835 -11.211 1.00 23.33 N ATOM 0 H ASN A 41 -0.509 11.430 -9.218 1.00 71.32 H new ATOM 0 HA ASN A 41 0.766 9.746 -9.890 1.00 42.31 H new ATOM 0 HB2 ASN A 41 2.187 11.657 -10.788 1.00 51.41 H new ATOM 0 HB3 ASN A 41 3.180 11.525 -9.349 1.00 51.41 H new ATOM 0 HD21 ASN A 41 3.219 8.097 -11.699 1.00 23.33 H new ATOM 0 HD22 ASN A 41 1.698 8.779 -11.113 1.00 23.33 H new ATOM 599 N ILE A 42 1.305 9.980 -6.840 1.00 61.24 N ATOM 600 CA ILE A 42 1.691 9.317 -5.601 1.00 3.35 C ATOM 601 C ILE A 42 1.014 7.958 -5.497 1.00 61.15 C ATOM 602 O ILE A 42 -0.203 7.869 -5.306 1.00 34.52 O ATOM 603 CB ILE A 42 1.328 10.157 -4.348 1.00 42.50 C ATOM 604 CG1 ILE A 42 1.986 11.546 -4.409 1.00 45.11 C ATOM 605 CG2 ILE A 42 1.740 9.424 -3.066 1.00 52.21 C ATOM 606 CD1 ILE A 42 3.500 11.514 -4.363 1.00 12.53 C ATOM 0 H ILE A 42 0.635 10.739 -6.717 1.00 61.24 H new ATOM 0 HA ILE A 42 2.774 9.198 -5.630 1.00 3.35 H new ATOM 0 HB ILE A 42 0.247 10.292 -4.335 1.00 42.50 H new ATOM 0 HG12 ILE A 42 1.671 12.046 -5.325 1.00 45.11 H new ATOM 0 HG13 ILE A 42 1.620 12.147 -3.576 1.00 45.11 H new ATOM 0 HG21 ILE A 42 1.476 10.030 -2.199 1.00 52.21 H new ATOM 0 HG22 ILE A 42 1.221 8.467 -3.011 1.00 52.21 H new ATOM 0 HG23 ILE A 42 2.816 9.252 -3.075 1.00 52.21 H new ATOM 0 HD11 ILE A 42 3.887 12.532 -4.411 1.00 12.53 H new ATOM 0 HD12 ILE A 42 3.826 11.045 -3.435 1.00 12.53 H new ATOM 0 HD13 ILE A 42 3.878 10.942 -5.211 1.00 12.53 H new ATOM 618 N LEU A 43 1.804 6.913 -5.657 1.00 72.14 N ATOM 619 CA LEU A 43 1.333 5.557 -5.474 1.00 64.11 C ATOM 620 C LEU A 43 1.299 5.212 -3.989 1.00 0.10 C ATOM 621 O LEU A 43 2.343 5.073 -3.338 1.00 21.11 O ATOM 622 CB LEU A 43 2.227 4.571 -6.235 1.00 43.24 C ATOM 623 CG LEU A 43 1.907 3.086 -6.001 1.00 73.04 C ATOM 624 CD1 LEU A 43 0.437 2.793 -6.283 1.00 53.41 C ATOM 625 CD2 LEU A 43 2.807 2.205 -6.855 1.00 54.32 C ATOM 0 H LEU A 43 2.788 6.982 -5.917 1.00 72.14 H new ATOM 0 HA LEU A 43 0.322 5.480 -5.874 1.00 64.11 H new ATOM 0 HB2 LEU A 43 2.146 4.780 -7.302 1.00 43.24 H new ATOM 0 HB3 LEU A 43 3.264 4.752 -5.952 1.00 43.24 H new ATOM 0 HG LEU A 43 2.099 2.858 -4.952 1.00 73.04 H new ATOM 0 HD11 LEU A 43 0.237 1.736 -6.110 1.00 53.41 H new ATOM 0 HD12 LEU A 43 -0.187 3.393 -5.621 1.00 53.41 H new ATOM 0 HD13 LEU A 43 0.209 3.040 -7.320 1.00 53.41 H new ATOM 0 HD21 LEU A 43 2.566 1.157 -6.676 1.00 54.32 H new ATOM 0 HD22 LEU A 43 2.651 2.438 -7.908 1.00 54.32 H new ATOM 0 HD23 LEU A 43 3.849 2.387 -6.593 1.00 54.32 H new ATOM 637 N ILE A 44 0.093 5.104 -3.457 1.00 42.42 N ATOM 638 CA ILE A 44 -0.111 4.738 -2.069 1.00 21.43 C ATOM 639 C ILE A 44 -0.535 3.278 -1.962 1.00 33.15 C ATOM 640 O ILE A 44 -1.577 2.879 -2.487 1.00 25.34 O ATOM 641 CB ILE A 44 -1.159 5.658 -1.393 1.00 11.13 C ATOM 642 CG1 ILE A 44 -0.570 7.070 -1.211 1.00 64.31 C ATOM 643 CG2 ILE A 44 -1.626 5.079 -0.057 1.00 32.41 C ATOM 644 CD1 ILE A 44 -1.486 8.040 -0.498 1.00 53.03 C ATOM 0 H ILE A 44 -0.770 5.268 -3.976 1.00 42.42 H new ATOM 0 HA ILE A 44 0.836 4.868 -1.544 1.00 21.43 H new ATOM 0 HB ILE A 44 -2.035 5.723 -2.039 1.00 11.13 H new ATOM 0 HG12 ILE A 44 0.363 6.992 -0.653 1.00 64.31 H new ATOM 0 HG13 ILE A 44 -0.322 7.477 -2.191 1.00 64.31 H new ATOM 0 HG21 ILE A 44 -2.361 5.747 0.392 1.00 32.41 H new ATOM 0 HG22 ILE A 44 -2.078 4.101 -0.222 1.00 32.41 H new ATOM 0 HG23 ILE A 44 -0.772 4.975 0.613 1.00 32.41 H new ATOM 0 HD11 ILE A 44 -0.994 9.009 -0.412 1.00 53.03 H new ATOM 0 HD12 ILE A 44 -2.410 8.151 -1.065 1.00 53.03 H new ATOM 0 HD13 ILE A 44 -1.715 7.660 0.498 1.00 53.03 H new ATOM 656 N LEU A 45 0.307 2.484 -1.313 1.00 63.21 N ATOM 657 CA LEU A 45 0.014 1.081 -1.047 1.00 23.23 C ATOM 658 C LEU A 45 -0.472 0.950 0.388 1.00 14.03 C ATOM 659 O LEU A 45 -0.126 1.775 1.236 1.00 3.52 O ATOM 660 CB LEU A 45 1.263 0.198 -1.243 1.00 51.15 C ATOM 661 CG LEU A 45 1.939 0.254 -2.628 1.00 33.25 C ATOM 662 CD1 LEU A 45 2.674 1.578 -2.830 1.00 54.13 C ATOM 663 CD2 LEU A 45 2.896 -0.925 -2.806 1.00 10.54 C ATOM 0 H LEU A 45 1.211 2.794 -0.957 1.00 63.21 H new ATOM 0 HA LEU A 45 -0.750 0.745 -1.748 1.00 23.23 H new ATOM 0 HB2 LEU A 45 2.001 0.481 -0.492 1.00 51.15 H new ATOM 0 HB3 LEU A 45 0.984 -0.836 -1.042 1.00 51.15 H new ATOM 0 HG LEU A 45 1.159 0.185 -3.386 1.00 33.25 H new ATOM 0 HD11 LEU A 45 3.141 1.589 -3.815 1.00 54.13 H new ATOM 0 HD12 LEU A 45 1.965 2.403 -2.755 1.00 54.13 H new ATOM 0 HD13 LEU A 45 3.441 1.689 -2.064 1.00 54.13 H new ATOM 0 HD21 LEU A 45 3.364 -0.869 -3.789 1.00 10.54 H new ATOM 0 HD22 LEU A 45 3.666 -0.888 -2.035 1.00 10.54 H new ATOM 0 HD23 LEU A 45 2.342 -1.860 -2.721 1.00 10.54 H new ATOM 675 N VAL A 46 -1.278 -0.064 0.664 1.00 23.01 N ATOM 676 CA VAL A 46 -1.727 -0.325 2.026 1.00 32.42 C ATOM 677 C VAL A 46 -1.627 -1.813 2.340 1.00 13.45 C ATOM 678 O VAL A 46 -2.450 -2.608 1.877 1.00 32.51 O ATOM 679 CB VAL A 46 -3.190 0.150 2.258 1.00 72.43 C ATOM 680 CG1 VAL A 46 -3.623 -0.109 3.702 1.00 11.43 C ATOM 681 CG2 VAL A 46 -3.349 1.631 1.909 1.00 1.14 C ATOM 0 H VAL A 46 -1.634 -0.718 -0.033 1.00 23.01 H new ATOM 0 HA VAL A 46 -1.075 0.241 2.692 1.00 32.42 H new ATOM 0 HB VAL A 46 -3.836 -0.426 1.596 1.00 72.43 H new ATOM 0 HG11 VAL A 46 -4.649 0.231 3.841 1.00 11.43 H new ATOM 0 HG12 VAL A 46 -3.563 -1.176 3.914 1.00 11.43 H new ATOM 0 HG13 VAL A 46 -2.966 0.434 4.382 1.00 11.43 H new ATOM 0 HG21 VAL A 46 -4.381 1.936 2.080 1.00 1.14 H new ATOM 0 HG22 VAL A 46 -2.686 2.226 2.537 1.00 1.14 H new ATOM 0 HG23 VAL A 46 -3.094 1.787 0.861 1.00 1.14 H new ATOM 691 N ASP A 47 -0.613 -2.171 3.117 1.00 11.12 N ATOM 692 CA ASP A 47 -0.448 -3.529 3.622 1.00 14.12 C ATOM 693 C ASP A 47 -1.216 -3.638 4.928 1.00 14.14 C ATOM 694 O ASP A 47 -0.718 -3.228 5.977 1.00 32.44 O ATOM 695 CB ASP A 47 1.040 -3.859 3.864 1.00 72.54 C ATOM 696 CG ASP A 47 1.906 -3.760 2.613 1.00 61.44 C ATOM 697 OD1 ASP A 47 1.762 -2.774 1.857 1.00 23.02 O ATOM 698 OD2 ASP A 47 2.731 -4.672 2.385 1.00 70.42 O ATOM 0 H ASP A 47 0.120 -1.527 3.416 1.00 11.12 H new ATOM 0 HA ASP A 47 -0.827 -4.238 2.886 1.00 14.12 H new ATOM 0 HB2 ASP A 47 1.434 -3.181 4.621 1.00 72.54 H new ATOM 0 HB3 ASP A 47 1.117 -4.868 4.268 1.00 72.54 H new ATOM 703 N PHE A 48 -2.440 -4.153 4.856 1.00 12.22 N ATOM 704 CA PHE A 48 -3.347 -4.135 6.008 1.00 13.13 C ATOM 705 C PHE A 48 -2.722 -4.770 7.251 1.00 13.03 C ATOM 706 O PHE A 48 -2.276 -4.060 8.157 1.00 65.53 O ATOM 707 CB PHE A 48 -4.682 -4.806 5.657 1.00 23.02 C ATOM 708 CG PHE A 48 -5.603 -3.893 4.890 1.00 21.01 C ATOM 709 CD1 PHE A 48 -5.416 -3.674 3.536 1.00 44.40 C ATOM 710 CD2 PHE A 48 -6.647 -3.240 5.534 1.00 73.30 C ATOM 711 CE1 PHE A 48 -6.248 -2.823 2.839 1.00 64.04 C ATOM 712 CE2 PHE A 48 -7.484 -2.389 4.838 1.00 21.22 C ATOM 713 CZ PHE A 48 -7.285 -2.181 3.490 1.00 32.23 C ATOM 0 H PHE A 48 -2.829 -4.587 4.019 1.00 12.22 H new ATOM 0 HA PHE A 48 -3.537 -3.090 6.252 1.00 13.13 H new ATOM 0 HB2 PHE A 48 -4.490 -5.702 5.067 1.00 23.02 H new ATOM 0 HB3 PHE A 48 -5.175 -5.127 6.574 1.00 23.02 H new ATOM 0 HD1 PHE A 48 -4.610 -4.175 3.020 1.00 44.40 H new ATOM 0 HD2 PHE A 48 -6.806 -3.399 6.590 1.00 73.30 H new ATOM 0 HE1 PHE A 48 -6.089 -2.658 1.784 1.00 64.04 H new ATOM 0 HE2 PHE A 48 -8.293 -1.888 5.349 1.00 21.22 H new ATOM 0 HZ PHE A 48 -7.938 -1.517 2.943 1.00 32.23 H new ATOM 723 N TRP A 49 -2.682 -6.094 7.290 1.00 65.21 N ATOM 724 CA TRP A 49 -2.160 -6.809 8.448 1.00 12.22 C ATOM 725 C TRP A 49 -0.814 -7.441 8.104 1.00 61.20 C ATOM 726 O TRP A 49 -0.685 -8.122 7.087 1.00 22.32 O ATOM 727 CB TRP A 49 -3.159 -7.882 8.909 1.00 44.22 C ATOM 728 CG TRP A 49 -4.491 -7.325 9.333 1.00 25.12 C ATOM 729 CD1 TRP A 49 -5.524 -6.955 8.518 1.00 71.43 C ATOM 730 CD2 TRP A 49 -4.935 -7.085 10.675 1.00 20.34 C ATOM 731 NE1 TRP A 49 -6.576 -6.492 9.270 1.00 41.13 N ATOM 732 CE2 TRP A 49 -6.240 -6.562 10.595 1.00 64.25 C ATOM 733 CE3 TRP A 49 -4.354 -7.256 11.935 1.00 74.04 C ATOM 734 CZ2 TRP A 49 -6.973 -6.214 11.725 1.00 35.22 C ATOM 735 CZ3 TRP A 49 -5.082 -6.910 13.057 1.00 62.02 C ATOM 736 CH2 TRP A 49 -6.380 -6.394 12.945 1.00 63.05 C ATOM 0 H TRP A 49 -3.005 -6.696 6.533 1.00 65.21 H new ATOM 0 HA TRP A 49 -2.017 -6.103 9.266 1.00 12.22 H new ATOM 0 HB2 TRP A 49 -3.314 -8.594 8.098 1.00 44.22 H new ATOM 0 HB3 TRP A 49 -2.725 -8.436 9.741 1.00 44.22 H new ATOM 0 HD1 TRP A 49 -5.514 -7.018 7.440 1.00 71.43 H new ATOM 0 HE1 TRP A 49 -7.464 -6.151 8.901 1.00 41.13 H new ATOM 0 HE3 TRP A 49 -3.354 -7.652 12.030 1.00 74.04 H new ATOM 0 HZ2 TRP A 49 -7.974 -5.816 11.642 1.00 35.22 H new ATOM 0 HZ3 TRP A 49 -4.644 -7.039 14.036 1.00 62.02 H new ATOM 0 HH2 TRP A 49 -6.924 -6.133 13.841 1.00 63.05 H new ATOM 747 N ALA A 50 0.188 -7.198 8.946 1.00 53.33 N ATOM 748 CA ALA A 50 1.533 -7.714 8.718 1.00 42.21 C ATOM 749 C ALA A 50 1.722 -9.062 9.415 1.00 11.55 C ATOM 750 O ALA A 50 1.761 -9.124 10.647 1.00 72.14 O ATOM 751 CB ALA A 50 2.573 -6.709 9.205 1.00 13.03 C ATOM 0 H ALA A 50 0.091 -6.644 9.797 1.00 53.33 H new ATOM 0 HA ALA A 50 1.668 -7.865 7.647 1.00 42.21 H new ATOM 0 HB1 ALA A 50 3.573 -7.106 9.029 1.00 13.03 H new ATOM 0 HB2 ALA A 50 2.454 -5.771 8.663 1.00 13.03 H new ATOM 0 HB3 ALA A 50 2.436 -6.531 10.272 1.00 13.03 H new ATOM 757 N PRO A 51 1.819 -10.161 8.640 1.00 21.22 N ATOM 758 CA PRO A 51 2.064 -11.492 9.181 1.00 42.15 C ATOM 759 C PRO A 51 3.556 -11.813 9.264 1.00 33.42 C ATOM 760 O PRO A 51 4.370 -11.226 8.546 1.00 42.24 O ATOM 761 CB PRO A 51 1.370 -12.388 8.152 1.00 11.33 C ATOM 762 CG PRO A 51 1.561 -11.677 6.848 1.00 40.02 C ATOM 763 CD PRO A 51 1.679 -10.198 7.168 1.00 4.21 C ATOM 0 HA PRO A 51 1.698 -11.614 10.201 1.00 42.15 H new ATOM 0 HB2 PRO A 51 1.813 -13.384 8.130 1.00 11.33 H new ATOM 0 HB3 PRO A 51 0.313 -12.514 8.384 1.00 11.33 H new ATOM 0 HG2 PRO A 51 2.456 -12.035 6.340 1.00 40.02 H new ATOM 0 HG3 PRO A 51 0.720 -11.862 6.180 1.00 40.02 H new ATOM 0 HD2 PRO A 51 2.541 -9.750 6.674 1.00 4.21 H new ATOM 0 HD3 PRO A 51 0.799 -9.646 6.837 1.00 4.21 H new ATOM 771 N TRP A 52 3.916 -12.736 10.147 1.00 52.45 N ATOM 772 CA TRP A 52 5.298 -13.186 10.257 1.00 0.11 C ATOM 773 C TRP A 52 5.465 -14.481 9.465 1.00 25.52 C ATOM 774 O TRP A 52 4.806 -15.481 9.757 1.00 62.15 O ATOM 775 CB TRP A 52 5.689 -13.404 11.729 1.00 63.12 C ATOM 776 CG TRP A 52 7.176 -13.389 11.956 1.00 53.23 C ATOM 777 CD1 TRP A 52 7.928 -12.317 12.347 1.00 33.42 C ATOM 778 CD2 TRP A 52 8.089 -14.483 11.797 1.00 73.41 C ATOM 779 NE1 TRP A 52 9.248 -12.678 12.444 1.00 43.23 N ATOM 780 CE2 TRP A 52 9.374 -14.001 12.112 1.00 60.52 C ATOM 781 CE3 TRP A 52 7.948 -15.824 11.421 1.00 3.11 C ATOM 782 CZ2 TRP A 52 10.505 -14.809 12.063 1.00 74.15 C ATOM 783 CZ3 TRP A 52 9.073 -16.625 11.374 1.00 1.22 C ATOM 784 CH2 TRP A 52 10.338 -16.115 11.694 1.00 24.21 C ATOM 0 H TRP A 52 3.272 -13.187 10.796 1.00 52.45 H new ATOM 0 HA TRP A 52 5.956 -12.419 9.849 1.00 0.11 H new ATOM 0 HB2 TRP A 52 5.227 -12.628 12.340 1.00 63.12 H new ATOM 0 HB3 TRP A 52 5.286 -14.358 12.068 1.00 63.12 H new ATOM 0 HD1 TRP A 52 7.540 -11.330 12.550 1.00 33.42 H new ATOM 0 HE1 TRP A 52 10.012 -12.061 12.719 1.00 43.23 H new ATOM 0 HE3 TRP A 52 6.977 -16.226 11.172 1.00 3.11 H new ATOM 0 HZ2 TRP A 52 11.482 -14.418 12.308 1.00 74.15 H new ATOM 0 HZ3 TRP A 52 8.975 -17.661 11.086 1.00 1.22 H new ATOM 0 HH2 TRP A 52 11.198 -16.766 11.648 1.00 24.21 H new ATOM 795 N CYS A 53 6.337 -14.460 8.462 1.00 25.10 N ATOM 796 CA CYS A 53 6.553 -15.625 7.608 1.00 33.43 C ATOM 797 C CYS A 53 7.916 -15.537 6.924 1.00 43.35 C ATOM 798 O CYS A 53 8.609 -14.518 7.032 1.00 22.02 O ATOM 799 CB CYS A 53 5.448 -15.725 6.545 1.00 30.23 C ATOM 800 SG CYS A 53 5.636 -14.559 5.149 1.00 71.20 S ATOM 0 H CYS A 53 6.906 -13.649 8.220 1.00 25.10 H new ATOM 0 HA CYS A 53 6.525 -16.517 8.234 1.00 33.43 H new ATOM 0 HB2 CYS A 53 5.428 -16.742 6.153 1.00 30.23 H new ATOM 0 HB3 CYS A 53 4.484 -15.549 7.023 1.00 30.23 H new ATOM 805 N GLY A 54 8.283 -16.602 6.210 1.00 75.13 N ATOM 806 CA GLY A 54 9.541 -16.634 5.479 1.00 53.22 C ATOM 807 C GLY A 54 9.674 -15.482 4.496 1.00 21.44 C ATOM 808 O GLY A 54 10.568 -14.648 4.636 1.00 20.45 O ATOM 0 H GLY A 54 7.724 -17.451 6.125 1.00 75.13 H new ATOM 0 HA2 GLY A 54 10.369 -16.601 6.187 1.00 53.22 H new ATOM 0 HA3 GLY A 54 9.620 -17.578 4.940 1.00 53.22 H new ATOM 812 N PRO A 55 8.793 -15.403 3.482 1.00 13.14 N ATOM 813 CA PRO A 55 8.787 -14.285 2.530 1.00 74.35 C ATOM 814 C PRO A 55 8.658 -12.929 3.232 1.00 74.52 C ATOM 815 O PRO A 55 9.250 -11.939 2.805 1.00 0.34 O ATOM 816 CB PRO A 55 7.556 -14.565 1.652 1.00 10.43 C ATOM 817 CG PRO A 55 7.343 -16.039 1.760 1.00 41.50 C ATOM 818 CD PRO A 55 7.755 -16.407 3.162 1.00 5.00 C ATOM 0 HA PRO A 55 9.717 -14.223 1.965 1.00 74.35 H new ATOM 0 HB2 PRO A 55 6.685 -14.012 2.003 1.00 10.43 H new ATOM 0 HB3 PRO A 55 7.729 -14.264 0.619 1.00 10.43 H new ATOM 0 HG2 PRO A 55 6.300 -16.299 1.577 1.00 41.50 H new ATOM 0 HG3 PRO A 55 7.939 -16.576 1.023 1.00 41.50 H new ATOM 0 HD2 PRO A 55 6.916 -16.354 3.856 1.00 5.00 H new ATOM 0 HD3 PRO A 55 8.147 -17.423 3.213 1.00 5.00 H new ATOM 826 N CYS A 56 7.904 -12.907 4.331 1.00 52.52 N ATOM 827 CA CYS A 56 7.628 -11.672 5.069 1.00 41.24 C ATOM 828 C CYS A 56 8.920 -10.964 5.497 1.00 42.44 C ATOM 829 O CYS A 56 9.084 -9.770 5.245 1.00 20.13 O ATOM 830 CB CYS A 56 6.761 -11.968 6.300 1.00 62.03 C ATOM 831 SG CYS A 56 5.151 -12.744 5.919 1.00 72.20 S ATOM 0 H CYS A 56 7.470 -13.738 4.733 1.00 52.52 H new ATOM 0 HA CYS A 56 7.087 -11.005 4.398 1.00 41.24 H new ATOM 0 HB2 CYS A 56 7.316 -12.623 6.972 1.00 62.03 H new ATOM 0 HB3 CYS A 56 6.584 -11.036 6.837 1.00 62.03 H new ATOM 836 N ARG A 57 9.844 -11.705 6.118 1.00 73.24 N ATOM 837 CA ARG A 57 11.085 -11.106 6.627 1.00 51.50 C ATOM 838 C ARG A 57 11.891 -10.482 5.488 1.00 14.34 C ATOM 839 O ARG A 57 12.695 -9.580 5.708 1.00 32.20 O ATOM 840 CB ARG A 57 11.924 -12.143 7.409 1.00 31.40 C ATOM 841 CG ARG A 57 12.414 -13.344 6.592 1.00 3.12 C ATOM 842 CD ARG A 57 13.753 -13.087 5.898 1.00 30.33 C ATOM 843 NE ARG A 57 14.829 -12.832 6.862 1.00 61.13 N ATOM 844 CZ ARG A 57 16.118 -13.113 6.647 1.00 23.02 C ATOM 845 NH1 ARG A 57 16.501 -13.686 5.512 1.00 40.44 N ATOM 846 NH2 ARG A 57 17.022 -12.833 7.579 1.00 32.51 N ATOM 0 H ARG A 57 9.759 -12.709 6.280 1.00 73.24 H new ATOM 0 HA ARG A 57 10.818 -10.310 7.323 1.00 51.50 H new ATOM 0 HB2 ARG A 57 12.791 -11.637 7.835 1.00 31.40 H new ATOM 0 HB3 ARG A 57 11.328 -12.512 8.244 1.00 31.40 H new ATOM 0 HG2 ARG A 57 12.511 -14.208 7.249 1.00 3.12 H new ATOM 0 HG3 ARG A 57 11.665 -13.597 5.842 1.00 3.12 H new ATOM 0 HD2 ARG A 57 14.014 -13.948 5.282 1.00 30.33 H new ATOM 0 HD3 ARG A 57 13.656 -12.233 5.228 1.00 30.33 H new ATOM 0 HE ARG A 57 14.577 -12.412 7.757 1.00 61.13 H new ATOM 0 HH11 ARG A 57 15.810 -13.915 4.797 1.00 40.44 H new ATOM 0 HH12 ARG A 57 17.486 -13.898 5.355 1.00 40.44 H new ATOM 0 HH21 ARG A 57 16.732 -12.404 8.458 1.00 32.51 H new ATOM 0 HH22 ARG A 57 18.006 -13.047 7.416 1.00 32.51 H new ATOM 860 N SER A 58 11.703 -11.002 4.281 1.00 30.11 N ATOM 861 CA SER A 58 12.279 -10.406 3.078 1.00 73.41 C ATOM 862 C SER A 58 11.498 -9.147 2.675 1.00 1.23 C ATOM 863 O SER A 58 12.070 -8.069 2.444 1.00 43.25 O ATOM 864 CB SER A 58 12.278 -11.435 1.939 1.00 73.33 C ATOM 865 OG SER A 58 12.810 -10.894 0.741 1.00 14.23 O ATOM 0 H SER A 58 11.152 -11.842 4.107 1.00 30.11 H new ATOM 0 HA SER A 58 13.308 -10.112 3.284 1.00 73.41 H new ATOM 0 HB2 SER A 58 12.862 -12.306 2.235 1.00 73.33 H new ATOM 0 HB3 SER A 58 11.259 -11.780 1.761 1.00 73.33 H new ATOM 0 HG SER A 58 12.795 -11.577 0.038 1.00 14.23 H new ATOM 871 N LEU A 59 10.178 -9.293 2.621 1.00 11.23 N ATOM 872 CA LEU A 59 9.293 -8.245 2.127 1.00 3.10 C ATOM 873 C LEU A 59 9.423 -6.953 2.927 1.00 64.24 C ATOM 874 O LEU A 59 9.464 -5.883 2.339 1.00 42.30 O ATOM 875 CB LEU A 59 7.833 -8.732 2.134 1.00 73.01 C ATOM 876 CG LEU A 59 7.313 -9.316 0.805 1.00 12.12 C ATOM 877 CD1 LEU A 59 7.143 -8.213 -0.237 1.00 35.32 C ATOM 878 CD2 LEU A 59 8.244 -10.409 0.280 1.00 1.23 C ATOM 0 H LEU A 59 9.693 -10.140 2.918 1.00 11.23 H new ATOM 0 HA LEU A 59 9.595 -8.023 1.104 1.00 3.10 H new ATOM 0 HB2 LEU A 59 7.727 -9.491 2.909 1.00 73.01 H new ATOM 0 HB3 LEU A 59 7.193 -7.897 2.417 1.00 73.01 H new ATOM 0 HG LEU A 59 6.339 -9.766 0.996 1.00 12.12 H new ATOM 0 HD11 LEU A 59 6.775 -8.645 -1.168 1.00 35.32 H new ATOM 0 HD12 LEU A 59 6.428 -7.475 0.128 1.00 35.32 H new ATOM 0 HD13 LEU A 59 8.104 -7.730 -0.416 1.00 35.32 H new ATOM 0 HD21 LEU A 59 7.851 -10.802 -0.658 1.00 1.23 H new ATOM 0 HD22 LEU A 59 9.237 -9.991 0.111 1.00 1.23 H new ATOM 0 HD23 LEU A 59 8.309 -11.214 1.012 1.00 1.23 H new ATOM 890 N GLU A 60 9.492 -7.048 4.254 1.00 63.31 N ATOM 891 CA GLU A 60 9.562 -5.851 5.099 1.00 53.20 C ATOM 892 C GLU A 60 10.708 -4.918 4.647 1.00 30.35 C ATOM 893 O GLU A 60 10.451 -3.772 4.250 1.00 2.32 O ATOM 894 CB GLU A 60 9.701 -6.232 6.584 1.00 13.11 C ATOM 895 CG GLU A 60 8.531 -7.043 7.130 1.00 61.32 C ATOM 896 CD GLU A 60 8.756 -7.489 8.565 1.00 54.43 C ATOM 897 OE1 GLU A 60 8.576 -6.666 9.485 1.00 34.31 O ATOM 898 OE2 GLU A 60 9.141 -8.662 8.783 1.00 72.12 O ATOM 0 H GLU A 60 9.501 -7.930 4.766 1.00 63.31 H new ATOM 0 HA GLU A 60 8.627 -5.303 4.984 1.00 53.20 H new ATOM 0 HB2 GLU A 60 10.619 -6.804 6.717 1.00 13.11 H new ATOM 0 HB3 GLU A 60 9.805 -5.321 7.174 1.00 13.11 H new ATOM 0 HG2 GLU A 60 7.621 -6.445 7.077 1.00 61.32 H new ATOM 0 HG3 GLU A 60 8.374 -7.919 6.500 1.00 61.32 H new ATOM 905 N PRO A 61 11.986 -5.384 4.663 1.00 75.31 N ATOM 906 CA PRO A 61 13.108 -4.564 4.201 1.00 44.35 C ATOM 907 C PRO A 61 13.010 -4.235 2.709 1.00 63.01 C ATOM 908 O PRO A 61 13.396 -3.143 2.294 1.00 25.53 O ATOM 909 CB PRO A 61 14.351 -5.418 4.495 1.00 63.12 C ATOM 910 CG PRO A 61 13.843 -6.812 4.599 1.00 32.14 C ATOM 911 CD PRO A 61 12.444 -6.705 5.139 1.00 14.30 C ATOM 0 HA PRO A 61 13.131 -3.597 4.703 1.00 44.35 H new ATOM 0 HB2 PRO A 61 15.091 -5.326 3.700 1.00 63.12 H new ATOM 0 HB3 PRO A 61 14.836 -5.104 5.419 1.00 63.12 H new ATOM 0 HG2 PRO A 61 13.849 -7.303 3.626 1.00 32.14 H new ATOM 0 HG3 PRO A 61 14.472 -7.408 5.260 1.00 32.14 H new ATOM 0 HD2 PRO A 61 11.808 -7.508 4.766 1.00 14.30 H new ATOM 0 HD3 PRO A 61 12.429 -6.766 6.227 1.00 14.30 H new ATOM 919 N GLN A 62 12.493 -5.170 1.898 1.00 14.12 N ATOM 920 CA GLN A 62 12.325 -4.900 0.463 1.00 5.31 C ATOM 921 C GLN A 62 11.372 -3.722 0.231 1.00 63.11 C ATOM 922 O GLN A 62 11.638 -2.848 -0.597 1.00 31.10 O ATOM 923 CB GLN A 62 11.823 -6.137 -0.302 1.00 32.30 C ATOM 924 CG GLN A 62 12.824 -7.290 -0.334 1.00 74.23 C ATOM 925 CD GLN A 62 12.657 -8.193 -1.547 1.00 3.40 C ATOM 926 OE1 GLN A 62 13.239 -7.940 -2.602 1.00 61.34 O ATOM 927 NE2 GLN A 62 11.885 -9.259 -1.402 1.00 34.25 N ATOM 0 H GLN A 62 12.191 -6.096 2.201 1.00 14.12 H new ATOM 0 HA GLN A 62 13.310 -4.641 0.076 1.00 5.31 H new ATOM 0 HB2 GLN A 62 10.897 -6.485 0.156 1.00 32.30 H new ATOM 0 HB3 GLN A 62 11.584 -5.847 -1.325 1.00 32.30 H new ATOM 0 HG2 GLN A 62 13.836 -6.885 -0.327 1.00 74.23 H new ATOM 0 HG3 GLN A 62 12.713 -7.885 0.572 1.00 74.23 H new ATOM 0 HE21 GLN A 62 11.419 -9.434 -0.512 1.00 34.25 H new ATOM 0 HE22 GLN A 62 11.756 -9.905 -2.181 1.00 34.25 H new ATOM 936 N LEU A 63 10.281 -3.691 0.988 1.00 35.41 N ATOM 937 CA LEU A 63 9.268 -2.654 0.838 1.00 11.52 C ATOM 938 C LEU A 63 9.793 -1.325 1.354 1.00 54.41 C ATOM 939 O LEU A 63 9.589 -0.293 0.720 1.00 45.31 O ATOM 940 CB LEU A 63 7.973 -3.033 1.570 1.00 13.32 C ATOM 941 CG LEU A 63 7.232 -4.254 0.999 1.00 42.32 C ATOM 942 CD1 LEU A 63 5.994 -4.573 1.830 1.00 73.31 C ATOM 943 CD2 LEU A 63 6.858 -4.024 -0.464 1.00 11.52 C ATOM 0 H LEU A 63 10.075 -4.376 1.715 1.00 35.41 H new ATOM 0 HA LEU A 63 9.040 -2.557 -0.224 1.00 11.52 H new ATOM 0 HB2 LEU A 63 8.209 -3.228 2.616 1.00 13.32 H new ATOM 0 HB3 LEU A 63 7.299 -2.177 1.550 1.00 13.32 H new ATOM 0 HG LEU A 63 7.903 -5.112 1.048 1.00 42.32 H new ATOM 0 HD11 LEU A 63 5.486 -5.440 1.408 1.00 73.31 H new ATOM 0 HD12 LEU A 63 6.291 -4.790 2.856 1.00 73.31 H new ATOM 0 HD13 LEU A 63 5.319 -3.717 1.821 1.00 73.31 H new ATOM 0 HD21 LEU A 63 6.335 -4.900 -0.848 1.00 11.52 H new ATOM 0 HD22 LEU A 63 6.209 -3.151 -0.541 1.00 11.52 H new ATOM 0 HD23 LEU A 63 7.762 -3.856 -1.049 1.00 11.52 H new ATOM 955 N GLU A 64 10.472 -1.347 2.504 1.00 15.54 N ATOM 956 CA GLU A 64 11.081 -0.131 3.038 1.00 45.42 C ATOM 957 C GLU A 64 12.167 0.382 2.091 1.00 5.30 C ATOM 958 O GLU A 64 12.318 1.589 1.910 1.00 51.10 O ATOM 959 CB GLU A 64 11.647 -0.353 4.447 1.00 62.52 C ATOM 960 CG GLU A 64 10.572 -0.588 5.508 1.00 74.10 C ATOM 961 CD GLU A 64 11.079 -0.354 6.923 1.00 11.03 C ATOM 962 OE1 GLU A 64 11.083 0.816 7.367 1.00 43.20 O ATOM 963 OE2 GLU A 64 11.477 -1.326 7.598 1.00 22.32 O ATOM 0 H GLU A 64 10.612 -2.181 3.074 1.00 15.54 H new ATOM 0 HA GLU A 64 10.300 0.626 3.116 1.00 45.42 H new ATOM 0 HB2 GLU A 64 12.321 -1.210 4.428 1.00 62.52 H new ATOM 0 HB3 GLU A 64 12.243 0.515 4.731 1.00 62.52 H new ATOM 0 HG2 GLU A 64 9.727 0.074 5.316 1.00 74.10 H new ATOM 0 HG3 GLU A 64 10.202 -1.610 5.424 1.00 74.10 H new ATOM 970 N LYS A 65 12.897 -0.543 1.470 1.00 64.33 N ATOM 971 CA LYS A 65 13.900 -0.194 0.463 1.00 42.43 C ATOM 972 C LYS A 65 13.250 0.601 -0.658 1.00 45.11 C ATOM 973 O LYS A 65 13.646 1.737 -0.960 1.00 75.10 O ATOM 974 CB LYS A 65 14.528 -1.465 -0.122 1.00 53.52 C ATOM 975 CG LYS A 65 15.429 -1.221 -1.333 1.00 22.15 C ATOM 976 CD LYS A 65 16.773 -0.609 -0.941 1.00 11.32 C ATOM 977 CE LYS A 65 17.777 -0.662 -2.089 1.00 33.04 C ATOM 978 NZ LYS A 65 17.292 0.053 -3.298 1.00 52.10 N ATOM 0 H LYS A 65 12.813 -1.544 1.647 1.00 64.33 H new ATOM 0 HA LYS A 65 14.676 0.406 0.938 1.00 42.43 H new ATOM 0 HB2 LYS A 65 15.110 -1.960 0.656 1.00 53.52 H new ATOM 0 HB3 LYS A 65 13.731 -2.151 -0.409 1.00 53.52 H new ATOM 0 HG2 LYS A 65 15.599 -2.164 -1.852 1.00 22.15 H new ATOM 0 HG3 LYS A 65 14.921 -0.558 -2.034 1.00 22.15 H new ATOM 0 HD2 LYS A 65 16.625 0.427 -0.635 1.00 11.32 H new ATOM 0 HD3 LYS A 65 17.177 -1.141 -0.080 1.00 11.32 H new ATOM 0 HE2 LYS A 65 18.720 -0.223 -1.764 1.00 33.04 H new ATOM 0 HE3 LYS A 65 17.981 -1.702 -2.342 1.00 33.04 H new ATOM 0 HZ1 LYS A 65 18.057 0.107 -4.000 1.00 52.10 H new ATOM 0 HZ2 LYS A 65 16.484 -0.461 -3.705 1.00 52.10 H new ATOM 0 HZ3 LYS A 65 16.994 1.015 -3.037 1.00 52.10 H new ATOM 992 N LEU A 66 12.237 -0.006 -1.263 1.00 15.24 N ATOM 993 CA LEU A 66 11.526 0.619 -2.359 1.00 11.44 C ATOM 994 C LEU A 66 10.873 1.918 -1.883 1.00 40.11 C ATOM 995 O LEU A 66 10.839 2.907 -2.608 1.00 33.31 O ATOM 996 CB LEU A 66 10.471 -0.338 -2.943 1.00 13.00 C ATOM 997 CG LEU A 66 11.010 -1.682 -3.457 1.00 5.05 C ATOM 998 CD1 LEU A 66 9.925 -2.441 -4.213 1.00 15.20 C ATOM 999 CD2 LEU A 66 12.246 -1.481 -4.329 1.00 63.24 C ATOM 0 H LEU A 66 11.893 -0.932 -1.009 1.00 15.24 H new ATOM 0 HA LEU A 66 12.239 0.853 -3.149 1.00 11.44 H new ATOM 0 HB2 LEU A 66 9.722 -0.536 -2.177 1.00 13.00 H new ATOM 0 HB3 LEU A 66 9.962 0.167 -3.764 1.00 13.00 H new ATOM 0 HG LEU A 66 11.307 -2.280 -2.595 1.00 5.05 H new ATOM 0 HD11 LEU A 66 10.326 -3.390 -4.569 1.00 15.20 H new ATOM 0 HD12 LEU A 66 9.082 -2.630 -3.548 1.00 15.20 H new ATOM 0 HD13 LEU A 66 9.590 -1.847 -5.063 1.00 15.20 H new ATOM 0 HD21 LEU A 66 12.606 -2.449 -4.679 1.00 63.24 H new ATOM 0 HD22 LEU A 66 11.989 -0.858 -5.186 1.00 63.24 H new ATOM 0 HD23 LEU A 66 13.027 -0.993 -3.746 1.00 63.24 H new ATOM 1011 N ALA A 67 10.389 1.909 -0.646 1.00 21.41 N ATOM 1012 CA ALA A 67 9.751 3.079 -0.051 1.00 14.45 C ATOM 1013 C ALA A 67 10.761 4.202 0.160 1.00 25.44 C ATOM 1014 O ALA A 67 10.400 5.372 0.160 1.00 23.21 O ATOM 1015 CB ALA A 67 9.082 2.710 1.271 1.00 33.53 C ATOM 0 H ALA A 67 10.427 1.097 -0.030 1.00 21.41 H new ATOM 0 HA ALA A 67 8.986 3.434 -0.741 1.00 14.45 H new ATOM 0 HB1 ALA A 67 8.612 3.595 1.700 1.00 33.53 H new ATOM 0 HB2 ALA A 67 8.325 1.946 1.095 1.00 33.53 H new ATOM 0 HB3 ALA A 67 9.831 2.326 1.963 1.00 33.53 H new ATOM 1021 N GLN A 68 12.027 3.840 0.349 1.00 4.44 N ATOM 1022 CA GLN A 68 13.095 4.824 0.516 1.00 44.53 C ATOM 1023 C GLN A 68 13.488 5.437 -0.827 1.00 64.35 C ATOM 1024 O GLN A 68 13.586 6.660 -0.960 1.00 4.55 O ATOM 1025 CB GLN A 68 14.323 4.183 1.180 1.00 52.13 C ATOM 1026 CG GLN A 68 14.137 3.887 2.662 1.00 54.01 C ATOM 1027 CD GLN A 68 15.316 3.150 3.273 1.00 62.02 C ATOM 1028 OE1 GLN A 68 15.989 2.356 2.611 1.00 65.20 O ATOM 1029 NE2 GLN A 68 15.587 3.421 4.540 1.00 51.45 N ATOM 0 H GLN A 68 12.340 2.870 0.391 1.00 4.44 H new ATOM 0 HA GLN A 68 12.720 5.618 1.162 1.00 44.53 H new ATOM 0 HB2 GLN A 68 14.562 3.255 0.661 1.00 52.13 H new ATOM 0 HB3 GLN A 68 15.179 4.847 1.056 1.00 52.13 H new ATOM 0 HG2 GLN A 68 13.984 4.824 3.198 1.00 54.01 H new ATOM 0 HG3 GLN A 68 13.234 3.292 2.797 1.00 54.01 H new ATOM 0 HE21 GLN A 68 15.007 4.084 5.055 1.00 51.45 H new ATOM 0 HE22 GLN A 68 16.375 2.967 5.001 1.00 51.45 H new ATOM 1038 N GLN A 69 13.705 4.584 -1.820 1.00 22.31 N ATOM 1039 CA GLN A 69 14.166 5.037 -3.133 1.00 14.22 C ATOM 1040 C GLN A 69 13.037 5.753 -3.886 1.00 60.31 C ATOM 1041 O GLN A 69 13.259 6.758 -4.563 1.00 32.43 O ATOM 1042 CB GLN A 69 14.699 3.832 -3.936 1.00 52.52 C ATOM 1043 CG GLN A 69 15.566 4.200 -5.143 1.00 22.13 C ATOM 1044 CD GLN A 69 14.768 4.709 -6.331 1.00 64.14 C ATOM 1045 OE1 GLN A 69 13.632 4.302 -6.547 1.00 33.30 O ATOM 1046 NE2 GLN A 69 15.356 5.605 -7.103 1.00 64.24 N ATOM 0 H GLN A 69 13.570 3.576 -1.745 1.00 22.31 H new ATOM 0 HA GLN A 69 14.977 5.754 -3.002 1.00 14.22 H new ATOM 0 HB2 GLN A 69 15.281 3.197 -3.268 1.00 52.52 H new ATOM 0 HB3 GLN A 69 13.852 3.240 -4.282 1.00 52.52 H new ATOM 0 HG2 GLN A 69 16.285 4.963 -4.845 1.00 22.13 H new ATOM 0 HG3 GLN A 69 16.139 3.325 -5.449 1.00 22.13 H new ATOM 0 HE21 GLN A 69 16.303 5.919 -6.890 1.00 64.24 H new ATOM 0 HE22 GLN A 69 14.863 5.983 -7.912 1.00 64.24 H new ATOM 1055 N TYR A 70 11.824 5.239 -3.731 1.00 33.45 N ATOM 1056 CA TYR A 70 10.650 5.735 -4.453 1.00 23.11 C ATOM 1057 C TYR A 70 9.830 6.715 -3.606 1.00 43.24 C ATOM 1058 O TYR A 70 8.758 7.140 -4.023 1.00 10.23 O ATOM 1059 CB TYR A 70 9.773 4.569 -4.930 1.00 22.04 C ATOM 1060 CG TYR A 70 10.450 3.671 -5.952 1.00 72.14 C ATOM 1061 CD1 TYR A 70 10.687 4.116 -7.249 1.00 52.31 C ATOM 1062 CD2 TYR A 70 10.852 2.382 -5.620 1.00 52.24 C ATOM 1063 CE1 TYR A 70 11.310 3.304 -8.181 1.00 45.23 C ATOM 1064 CE2 TYR A 70 11.473 1.567 -6.547 1.00 13.41 C ATOM 1065 CZ TYR A 70 11.699 2.032 -7.824 1.00 33.22 C ATOM 1066 OH TYR A 70 12.323 1.222 -8.747 1.00 71.34 O ATOM 0 H TYR A 70 11.621 4.464 -3.100 1.00 33.45 H new ATOM 0 HA TYR A 70 11.012 6.280 -5.325 1.00 23.11 H new ATOM 0 HB2 TYR A 70 9.483 3.968 -4.068 1.00 22.04 H new ATOM 0 HB3 TYR A 70 8.856 4.969 -5.363 1.00 22.04 H new ATOM 0 HD1 TYR A 70 10.380 5.112 -7.533 1.00 52.31 H new ATOM 0 HD2 TYR A 70 10.676 2.012 -4.621 1.00 52.24 H new ATOM 0 HE1 TYR A 70 11.490 3.666 -9.183 1.00 45.23 H new ATOM 0 HE2 TYR A 70 11.780 0.569 -6.271 1.00 13.41 H new ATOM 0 HH TYR A 70 12.533 0.358 -8.335 1.00 71.34 H new ATOM 1076 N THR A 71 10.339 7.066 -2.425 1.00 72.02 N ATOM 1077 CA THR A 71 9.593 7.863 -1.432 1.00 1.24 C ATOM 1078 C THR A 71 9.024 9.166 -2.020 1.00 24.34 C ATOM 1079 O THR A 71 8.090 9.747 -1.458 1.00 72.52 O ATOM 1080 CB THR A 71 10.504 8.234 -0.228 1.00 24.40 C ATOM 1081 OG1 THR A 71 9.746 8.902 0.792 1.00 53.13 O ATOM 1082 CG2 THR A 71 11.660 9.128 -0.669 1.00 15.12 C ATOM 0 H THR A 71 11.279 6.810 -2.123 1.00 72.02 H new ATOM 0 HA THR A 71 8.762 7.235 -1.109 1.00 1.24 H new ATOM 0 HB THR A 71 10.911 7.307 0.175 1.00 24.40 H new ATOM 0 HG1 THR A 71 10.335 9.127 1.543 1.00 53.13 H new ATOM 0 HG21 THR A 71 12.281 9.372 0.193 1.00 15.12 H new ATOM 0 HG22 THR A 71 12.261 8.605 -1.413 1.00 15.12 H new ATOM 0 HG23 THR A 71 11.265 10.046 -1.103 1.00 15.12 H new ATOM 1090 N GLU A 72 9.571 9.622 -3.140 1.00 70.41 N ATOM 1091 CA GLU A 72 9.085 10.842 -3.783 1.00 43.25 C ATOM 1092 C GLU A 72 7.683 10.630 -4.362 1.00 1.42 C ATOM 1093 O GLU A 72 6.872 11.558 -4.400 1.00 33.33 O ATOM 1094 CB GLU A 72 10.054 11.286 -4.889 1.00 40.51 C ATOM 1095 CG GLU A 72 11.479 11.534 -4.398 1.00 74.12 C ATOM 1096 CD GLU A 72 11.558 12.595 -3.309 1.00 15.40 C ATOM 1097 OE1 GLU A 72 11.391 12.252 -2.121 1.00 72.05 O ATOM 1098 OE2 GLU A 72 11.785 13.780 -3.632 1.00 40.51 O ATOM 0 H GLU A 72 10.348 9.170 -3.622 1.00 70.41 H new ATOM 0 HA GLU A 72 9.030 11.626 -3.028 1.00 43.25 H new ATOM 0 HB2 GLU A 72 10.076 10.524 -5.668 1.00 40.51 H new ATOM 0 HB3 GLU A 72 9.674 12.199 -5.347 1.00 40.51 H new ATOM 0 HG2 GLU A 72 11.894 10.600 -4.018 1.00 74.12 H new ATOM 0 HG3 GLU A 72 12.099 11.839 -5.241 1.00 74.12 H new ATOM 1105 N ASN A 73 7.405 9.397 -4.786 1.00 54.13 N ATOM 1106 CA ASN A 73 6.154 9.068 -5.476 1.00 64.53 C ATOM 1107 C ASN A 73 5.483 7.820 -4.890 1.00 42.20 C ATOM 1108 O ASN A 73 4.445 7.392 -5.385 1.00 63.21 O ATOM 1109 CB ASN A 73 6.434 8.842 -6.972 1.00 62.14 C ATOM 1110 CG ASN A 73 6.855 10.112 -7.697 1.00 35.10 C ATOM 1111 OD1 ASN A 73 6.343 11.200 -7.427 1.00 41.24 O ATOM 1112 ND2 ASN A 73 7.816 9.990 -8.604 1.00 11.44 N ATOM 0 H ASN A 73 8.034 8.603 -4.663 1.00 54.13 H new ATOM 0 HA ASN A 73 5.472 9.908 -5.340 1.00 64.53 H new ATOM 0 HB2 ASN A 73 7.217 8.092 -7.080 1.00 62.14 H new ATOM 0 HB3 ASN A 73 5.539 8.439 -7.447 1.00 62.14 H new ATOM 0 HD21 ASN A 73 8.154 10.813 -9.103 1.00 11.44 H new ATOM 0 HD22 ASN A 73 8.217 9.073 -8.802 1.00 11.44 H new ATOM 1119 N VAL A 74 6.072 7.229 -3.848 1.00 24.44 N ATOM 1120 CA VAL A 74 5.538 5.994 -3.256 1.00 23.34 C ATOM 1121 C VAL A 74 5.443 6.097 -1.736 1.00 22.54 C ATOM 1122 O VAL A 74 6.381 6.552 -1.080 1.00 74.13 O ATOM 1123 CB VAL A 74 6.419 4.769 -3.621 1.00 22.02 C ATOM 1124 CG1 VAL A 74 5.975 3.506 -2.878 1.00 54.34 C ATOM 1125 CG2 VAL A 74 6.410 4.533 -5.125 1.00 4.12 C ATOM 0 H VAL A 74 6.916 7.582 -3.396 1.00 24.44 H new ATOM 0 HA VAL A 74 4.538 5.858 -3.668 1.00 23.34 H new ATOM 0 HB VAL A 74 7.438 4.994 -3.305 1.00 22.02 H new ATOM 0 HG11 VAL A 74 6.617 2.672 -3.162 1.00 54.34 H new ATOM 0 HG12 VAL A 74 6.049 3.671 -1.803 1.00 54.34 H new ATOM 0 HG13 VAL A 74 4.943 3.274 -3.139 1.00 54.34 H new ATOM 0 HG21 VAL A 74 7.033 3.670 -5.362 1.00 4.12 H new ATOM 0 HG22 VAL A 74 5.389 4.346 -5.458 1.00 4.12 H new ATOM 0 HG23 VAL A 74 6.802 5.414 -5.634 1.00 4.12 H new ATOM 1135 N LYS A 75 4.301 5.674 -1.187 1.00 70.14 N ATOM 1136 CA LYS A 75 4.089 5.619 0.262 1.00 1.22 C ATOM 1137 C LYS A 75 3.176 4.445 0.615 1.00 3.23 C ATOM 1138 O LYS A 75 2.183 4.203 -0.067 1.00 62.45 O ATOM 1139 CB LYS A 75 3.491 6.942 0.782 1.00 74.44 C ATOM 1140 CG LYS A 75 4.505 8.084 0.842 1.00 41.52 C ATOM 1141 CD LYS A 75 5.664 7.760 1.787 1.00 15.14 C ATOM 1142 CE LYS A 75 6.846 8.701 1.581 1.00 53.32 C ATOM 1143 NZ LYS A 75 6.500 10.116 1.866 1.00 64.44 N ATOM 0 H LYS A 75 3.499 5.361 -1.733 1.00 70.14 H new ATOM 0 HA LYS A 75 5.055 5.473 0.745 1.00 1.22 H new ATOM 0 HB2 LYS A 75 2.662 7.235 0.138 1.00 74.44 H new ATOM 0 HB3 LYS A 75 3.079 6.779 1.778 1.00 74.44 H new ATOM 0 HG2 LYS A 75 4.894 8.279 -0.158 1.00 41.52 H new ATOM 0 HG3 LYS A 75 4.008 8.995 1.174 1.00 41.52 H new ATOM 0 HD2 LYS A 75 5.321 7.829 2.819 1.00 15.14 H new ATOM 0 HD3 LYS A 75 5.987 6.731 1.626 1.00 15.14 H new ATOM 0 HE2 LYS A 75 7.668 8.394 2.227 1.00 53.32 H new ATOM 0 HE3 LYS A 75 7.199 8.616 0.553 1.00 53.32 H new ATOM 0 HZ1 LYS A 75 7.344 10.711 1.744 1.00 64.44 H new ATOM 0 HZ2 LYS A 75 5.757 10.431 1.210 1.00 64.44 H new ATOM 0 HZ3 LYS A 75 6.156 10.199 2.844 1.00 64.44 H new ATOM 1157 N ILE A 76 3.529 3.708 1.670 1.00 73.45 N ATOM 1158 CA ILE A 76 2.762 2.530 2.085 1.00 0.44 C ATOM 1159 C ILE A 76 2.149 2.746 3.474 1.00 1.14 C ATOM 1160 O ILE A 76 2.740 3.418 4.320 1.00 72.22 O ATOM 1161 CB ILE A 76 3.640 1.242 2.113 1.00 34.43 C ATOM 1162 CG1 ILE A 76 4.314 0.976 0.750 1.00 20.15 C ATOM 1163 CG2 ILE A 76 2.804 0.033 2.525 1.00 12.14 C ATOM 1164 CD1 ILE A 76 5.553 1.810 0.491 1.00 51.04 C ATOM 0 H ILE A 76 4.342 3.906 2.254 1.00 73.45 H new ATOM 0 HA ILE A 76 1.971 2.394 1.347 1.00 0.44 H new ATOM 0 HB ILE A 76 4.427 1.403 2.850 1.00 34.43 H new ATOM 0 HG12 ILE A 76 4.582 -0.079 0.691 1.00 20.15 H new ATOM 0 HG13 ILE A 76 3.590 1.166 -0.043 1.00 20.15 H new ATOM 0 HG21 ILE A 76 3.433 -0.857 2.539 1.00 12.14 H new ATOM 0 HG22 ILE A 76 2.389 0.199 3.519 1.00 12.14 H new ATOM 0 HG23 ILE A 76 1.992 -0.108 1.812 1.00 12.14 H new ATOM 0 HD11 ILE A 76 5.962 1.559 -0.488 1.00 51.04 H new ATOM 0 HD12 ILE A 76 5.291 2.868 0.515 1.00 51.04 H new ATOM 0 HD13 ILE A 76 6.298 1.603 1.259 1.00 51.04 H new ATOM 1176 N TYR A 77 0.963 2.171 3.694 1.00 64.14 N ATOM 1177 CA TYR A 77 0.248 2.276 4.970 1.00 43.40 C ATOM 1178 C TYR A 77 -0.073 0.881 5.523 1.00 32.12 C ATOM 1179 O TYR A 77 0.006 -0.110 4.800 1.00 11.42 O ATOM 1180 CB TYR A 77 -1.056 3.072 4.791 1.00 4.44 C ATOM 1181 CG TYR A 77 -0.857 4.542 4.448 1.00 75.14 C ATOM 1182 CD1 TYR A 77 -0.437 4.934 3.180 1.00 21.51 C ATOM 1183 CD2 TYR A 77 -1.101 5.537 5.388 1.00 11.13 C ATOM 1184 CE1 TYR A 77 -0.268 6.270 2.864 1.00 33.32 C ATOM 1185 CE2 TYR A 77 -0.932 6.873 5.078 1.00 74.25 C ATOM 1186 CZ TYR A 77 -0.517 7.234 3.815 1.00 41.25 C ATOM 1187 OH TYR A 77 -0.357 8.567 3.499 1.00 61.12 O ATOM 0 H TYR A 77 0.471 1.619 2.992 1.00 64.14 H new ATOM 0 HA TYR A 77 0.891 2.799 5.677 1.00 43.40 H new ATOM 0 HB2 TYR A 77 -1.647 2.605 4.003 1.00 4.44 H new ATOM 0 HB3 TYR A 77 -1.638 3.002 5.710 1.00 4.44 H new ATOM 0 HD1 TYR A 77 -0.240 4.182 2.430 1.00 21.51 H new ATOM 0 HD2 TYR A 77 -1.429 5.260 6.379 1.00 11.13 H new ATOM 0 HE1 TYR A 77 0.058 6.556 1.875 1.00 33.32 H new ATOM 0 HE2 TYR A 77 -1.124 7.631 5.823 1.00 74.25 H new ATOM 0 HH TYR A 77 -0.574 9.117 4.281 1.00 61.12 H new ATOM 1197 N LYS A 78 -0.430 0.818 6.811 1.00 1.51 N ATOM 1198 CA LYS A 78 -0.810 -0.441 7.473 1.00 41.10 C ATOM 1199 C LYS A 78 -1.934 -0.187 8.480 1.00 44.54 C ATOM 1200 O LYS A 78 -2.345 0.957 8.677 1.00 54.41 O ATOM 1201 CB LYS A 78 0.385 -1.062 8.222 1.00 33.40 C ATOM 1202 CG LYS A 78 1.604 -1.358 7.355 1.00 73.34 C ATOM 1203 CD LYS A 78 2.729 -2.005 8.163 1.00 43.41 C ATOM 1204 CE LYS A 78 3.114 -1.168 9.381 1.00 0.21 C ATOM 1205 NZ LYS A 78 3.500 0.222 9.012 1.00 1.12 N ATOM 0 H LYS A 78 -0.464 1.633 7.424 1.00 1.51 H new ATOM 0 HA LYS A 78 -1.144 -1.131 6.698 1.00 41.10 H new ATOM 0 HB2 LYS A 78 0.683 -0.386 9.024 1.00 33.40 H new ATOM 0 HB3 LYS A 78 0.058 -1.990 8.692 1.00 33.40 H new ATOM 0 HG2 LYS A 78 1.317 -2.019 6.537 1.00 73.34 H new ATOM 0 HG3 LYS A 78 1.964 -0.433 6.906 1.00 73.34 H new ATOM 0 HD2 LYS A 78 2.417 -2.997 8.489 1.00 43.41 H new ATOM 0 HD3 LYS A 78 3.602 -2.139 7.525 1.00 43.41 H new ATOM 0 HE2 LYS A 78 2.276 -1.137 10.078 1.00 0.21 H new ATOM 0 HE3 LYS A 78 3.943 -1.647 9.901 1.00 0.21 H new ATOM 0 HZ1 LYS A 78 3.769 0.747 9.869 1.00 1.12 H new ATOM 0 HZ2 LYS A 78 4.305 0.196 8.355 1.00 1.12 H new ATOM 0 HZ3 LYS A 78 2.695 0.696 8.555 1.00 1.12 H new ATOM 1219 N ILE A 79 -2.399 -1.252 9.142 1.00 64.52 N ATOM 1220 CA ILE A 79 -3.397 -1.138 10.210 1.00 20.01 C ATOM 1221 C ILE A 79 -3.226 -2.293 11.209 1.00 0.52 C ATOM 1222 O ILE A 79 -2.614 -3.309 10.879 1.00 11.02 O ATOM 1223 CB ILE A 79 -4.841 -1.138 9.632 1.00 51.24 C ATOM 1224 CG1 ILE A 79 -5.875 -0.835 10.732 1.00 72.23 C ATOM 1225 CG2 ILE A 79 -5.151 -2.471 8.947 1.00 5.13 C ATOM 1226 CD1 ILE A 79 -7.300 -0.741 10.228 1.00 3.01 C ATOM 0 H ILE A 79 -2.097 -2.208 8.955 1.00 64.52 H new ATOM 0 HA ILE A 79 -3.241 -0.190 10.724 1.00 20.01 H new ATOM 0 HB ILE A 79 -4.905 -0.348 8.884 1.00 51.24 H new ATOM 0 HG12 ILE A 79 -5.820 -1.614 11.493 1.00 72.23 H new ATOM 0 HG13 ILE A 79 -5.609 0.104 11.217 1.00 72.23 H new ATOM 0 HG21 ILE A 79 -6.166 -2.449 8.550 1.00 5.13 H new ATOM 0 HG22 ILE A 79 -4.446 -2.634 8.132 1.00 5.13 H new ATOM 0 HG23 ILE A 79 -5.062 -3.281 9.671 1.00 5.13 H new ATOM 0 HD11 ILE A 79 -7.968 -0.526 11.062 1.00 3.01 H new ATOM 0 HD12 ILE A 79 -7.373 0.057 9.489 1.00 3.01 H new ATOM 0 HD13 ILE A 79 -7.587 -1.687 9.769 1.00 3.01 H new ATOM 1238 N ASN A 80 -3.726 -2.124 12.437 1.00 32.12 N ATOM 1239 CA ASN A 80 -3.651 -3.189 13.449 1.00 53.21 C ATOM 1240 C ASN A 80 -4.916 -3.236 14.309 1.00 43.12 C ATOM 1241 O ASN A 80 -5.058 -4.109 15.165 1.00 23.31 O ATOM 1242 CB ASN A 80 -2.422 -3.006 14.364 1.00 33.11 C ATOM 1243 CG ASN A 80 -2.573 -1.850 15.348 1.00 2.05 C ATOM 1244 OD1 ASN A 80 -3.146 -2.008 16.427 1.00 73.44 O ATOM 1245 ND2 ASN A 80 -2.035 -0.690 15.004 1.00 13.11 N ATOM 0 H ASN A 80 -4.183 -1.270 12.755 1.00 32.12 H new ATOM 0 HA ASN A 80 -3.557 -4.130 12.908 1.00 53.21 H new ATOM 0 HB2 ASN A 80 -2.250 -3.928 14.920 1.00 33.11 H new ATOM 0 HB3 ASN A 80 -1.540 -2.837 13.747 1.00 33.11 H new ATOM 0 HD21 ASN A 80 -2.088 0.106 15.640 1.00 13.11 H new ATOM 0 HD22 ASN A 80 -1.567 -0.592 14.103 1.00 13.11 H new ATOM 1252 N ILE A 81 -5.836 -2.305 14.078 1.00 15.22 N ATOM 1253 CA ILE A 81 -7.022 -2.178 14.922 1.00 2.12 C ATOM 1254 C ILE A 81 -8.120 -3.141 14.460 1.00 53.12 C ATOM 1255 O ILE A 81 -8.710 -2.960 13.392 1.00 74.52 O ATOM 1256 CB ILE A 81 -7.559 -0.726 14.922 1.00 4.34 C ATOM 1257 CG1 ILE A 81 -6.421 0.267 15.225 1.00 0.15 C ATOM 1258 CG2 ILE A 81 -8.694 -0.576 15.937 1.00 21.53 C ATOM 1259 CD1 ILE A 81 -6.840 1.722 15.160 1.00 23.12 C ATOM 0 H ILE A 81 -5.785 -1.629 13.316 1.00 15.22 H new ATOM 0 HA ILE A 81 -6.730 -2.435 15.940 1.00 2.12 H new ATOM 0 HB ILE A 81 -7.955 -0.501 13.932 1.00 4.34 H new ATOM 0 HG12 ILE A 81 -6.025 0.058 16.219 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -5.609 0.101 14.517 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -9.060 0.451 15.924 1.00 21.53 H new ATOM 0 HG22 ILE A 81 -9.507 -1.254 15.677 1.00 21.53 H new ATOM 0 HG23 ILE A 81 -8.325 -0.817 16.934 1.00 21.53 H new ATOM 0 HD11 ILE A 81 -5.984 2.358 15.385 1.00 23.12 H new ATOM 0 HD12 ILE A 81 -7.208 1.950 14.160 1.00 23.12 H new ATOM 0 HD13 ILE A 81 -7.630 1.906 15.888 1.00 23.12 H new ATOM 1271 N GLU A 82 -8.382 -4.156 15.284 1.00 32.04 N ATOM 1272 CA GLU A 82 -9.345 -5.219 14.975 1.00 43.54 C ATOM 1273 C GLU A 82 -10.687 -4.653 14.506 1.00 72.21 C ATOM 1274 O GLU A 82 -11.163 -4.974 13.414 1.00 25.14 O ATOM 1275 CB GLU A 82 -9.549 -6.101 16.219 1.00 11.20 C ATOM 1276 CG GLU A 82 -10.617 -7.180 16.064 1.00 71.04 C ATOM 1277 CD GLU A 82 -10.882 -7.925 17.363 1.00 34.22 C ATOM 1278 OE1 GLU A 82 -11.567 -7.365 18.248 1.00 72.01 O ATOM 1279 OE2 GLU A 82 -10.396 -9.064 17.516 1.00 20.42 O ATOM 0 H GLU A 82 -7.930 -4.266 16.192 1.00 32.04 H new ATOM 0 HA GLU A 82 -8.940 -5.816 14.158 1.00 43.54 H new ATOM 0 HB2 GLU A 82 -8.602 -6.579 16.469 1.00 11.20 H new ATOM 0 HB3 GLU A 82 -9.816 -5.463 17.061 1.00 11.20 H new ATOM 0 HG2 GLU A 82 -11.543 -6.723 15.715 1.00 71.04 H new ATOM 0 HG3 GLU A 82 -10.304 -7.890 15.299 1.00 71.04 H new ATOM 1286 N ASP A 83 -11.281 -3.789 15.323 1.00 70.01 N ATOM 1287 CA ASP A 83 -12.621 -3.262 15.049 1.00 65.22 C ATOM 1288 C ASP A 83 -12.599 -2.186 13.962 1.00 50.03 C ATOM 1289 O ASP A 83 -13.616 -1.548 13.695 1.00 62.24 O ATOM 1290 CB ASP A 83 -13.253 -2.701 16.329 1.00 45.24 C ATOM 1291 CG ASP A 83 -12.508 -1.495 16.873 1.00 33.02 C ATOM 1292 OD1 ASP A 83 -11.509 -1.688 17.597 1.00 4.20 O ATOM 1293 OD2 ASP A 83 -12.925 -0.350 16.594 1.00 10.30 O ATOM 0 H ASP A 83 -10.858 -3.436 16.182 1.00 70.01 H new ATOM 0 HA ASP A 83 -13.226 -4.093 14.685 1.00 65.22 H new ATOM 0 HB2 ASP A 83 -14.287 -2.422 16.126 1.00 45.24 H new ATOM 0 HB3 ASP A 83 -13.276 -3.481 17.090 1.00 45.24 H new ATOM 1298 N ASN A 84 -11.443 -1.983 13.338 1.00 43.31 N ATOM 1299 CA ASN A 84 -11.315 -1.038 12.225 1.00 61.43 C ATOM 1300 C ASN A 84 -11.157 -1.800 10.912 1.00 11.31 C ATOM 1301 O ASN A 84 -10.653 -1.266 9.925 1.00 74.32 O ATOM 1302 CB ASN A 84 -10.114 -0.102 12.447 1.00 53.05 C ATOM 1303 CG ASN A 84 -10.396 1.058 13.397 1.00 24.10 C ATOM 1304 OD1 ASN A 84 -9.817 2.136 13.252 1.00 54.12 O ATOM 1305 ND2 ASN A 84 -11.272 0.857 14.373 1.00 61.02 N ATOM 0 H ASN A 84 -10.576 -2.461 13.583 1.00 43.31 H new ATOM 0 HA ASN A 84 -12.219 -0.430 12.176 1.00 61.43 H new ATOM 0 HB2 ASN A 84 -9.281 -0.685 12.839 1.00 53.05 H new ATOM 0 HB3 ASN A 84 -9.797 0.299 11.484 1.00 53.05 H new ATOM 0 HD21 ASN A 84 -11.483 1.607 15.031 1.00 61.02 H new ATOM 0 HD22 ASN A 84 -11.734 -0.048 14.465 1.00 61.02 H new ATOM 1312 N GLN A 85 -11.605 -3.052 10.907 1.00 24.52 N ATOM 1313 CA GLN A 85 -11.453 -3.922 9.745 1.00 24.13 C ATOM 1314 C GLN A 85 -12.535 -3.648 8.692 1.00 43.11 C ATOM 1315 O GLN A 85 -12.434 -4.127 7.560 1.00 21.34 O ATOM 1316 CB GLN A 85 -11.495 -5.395 10.187 1.00 34.22 C ATOM 1317 CG GLN A 85 -11.071 -6.382 9.103 1.00 63.54 C ATOM 1318 CD GLN A 85 -11.150 -7.828 9.561 1.00 64.44 C ATOM 1319 OE1 GLN A 85 -12.176 -8.489 9.399 1.00 4.51 O ATOM 1320 NE2 GLN A 85 -10.069 -8.329 10.144 1.00 5.30 N ATOM 0 H GLN A 85 -12.078 -3.488 11.698 1.00 24.52 H new ATOM 0 HA GLN A 85 -10.487 -3.711 9.286 1.00 24.13 H new ATOM 0 HB2 GLN A 85 -10.846 -5.522 11.053 1.00 34.22 H new ATOM 0 HB3 GLN A 85 -12.508 -5.638 10.509 1.00 34.22 H new ATOM 0 HG2 GLN A 85 -11.706 -6.248 8.227 1.00 63.54 H new ATOM 0 HG3 GLN A 85 -10.050 -6.159 8.794 1.00 63.54 H new ATOM 0 HE21 GLN A 85 -9.237 -7.750 10.260 1.00 5.30 H new ATOM 0 HE22 GLN A 85 -10.069 -9.293 10.476 1.00 5.30 H new ATOM 1329 N ASP A 86 -13.551 -2.859 9.062 1.00 22.31 N ATOM 1330 CA ASP A 86 -14.682 -2.569 8.165 1.00 43.20 C ATOM 1331 C ASP A 86 -14.199 -2.229 6.761 1.00 1.55 C ATOM 1332 O ASP A 86 -14.577 -2.888 5.787 1.00 71.20 O ATOM 1333 CB ASP A 86 -15.537 -1.404 8.693 1.00 31.44 C ATOM 1334 CG ASP A 86 -16.393 -1.775 9.892 1.00 63.11 C ATOM 1335 OD1 ASP A 86 -17.208 -2.714 9.782 1.00 24.34 O ATOM 1336 OD2 ASP A 86 -16.265 -1.117 10.948 1.00 54.02 O ATOM 0 H ASP A 86 -13.615 -2.409 9.975 1.00 22.31 H new ATOM 0 HA ASP A 86 -15.292 -3.472 8.130 1.00 43.20 H new ATOM 0 HB2 ASP A 86 -14.881 -0.577 8.967 1.00 31.44 H new ATOM 0 HB3 ASP A 86 -16.184 -1.046 7.892 1.00 31.44 H new ATOM 1341 N VAL A 87 -13.349 -1.212 6.671 1.00 32.34 N ATOM 1342 CA VAL A 87 -12.825 -0.751 5.389 1.00 11.34 C ATOM 1343 C VAL A 87 -12.204 -1.909 4.600 1.00 70.13 C ATOM 1344 O VAL A 87 -12.312 -1.972 3.374 1.00 62.41 O ATOM 1345 CB VAL A 87 -11.784 0.384 5.585 1.00 31.35 C ATOM 1346 CG1 VAL A 87 -10.501 -0.136 6.227 1.00 64.21 C ATOM 1347 CG2 VAL A 87 -11.483 1.088 4.269 1.00 13.51 C ATOM 0 H VAL A 87 -13.006 -0.688 7.476 1.00 32.34 H new ATOM 0 HA VAL A 87 -13.663 -0.353 4.816 1.00 11.34 H new ATOM 0 HB VAL A 87 -12.224 1.112 6.266 1.00 31.35 H new ATOM 0 HG11 VAL A 87 -9.796 0.686 6.349 1.00 64.21 H new ATOM 0 HG12 VAL A 87 -10.730 -0.565 7.203 1.00 64.21 H new ATOM 0 HG13 VAL A 87 -10.059 -0.901 5.589 1.00 64.21 H new ATOM 0 HG21 VAL A 87 -10.751 1.878 4.438 1.00 13.51 H new ATOM 0 HG22 VAL A 87 -11.082 0.369 3.555 1.00 13.51 H new ATOM 0 HG23 VAL A 87 -12.400 1.522 3.871 1.00 13.51 H new ATOM 1357 N ALA A 88 -11.597 -2.853 5.318 1.00 62.32 N ATOM 1358 CA ALA A 88 -10.953 -3.999 4.689 1.00 70.11 C ATOM 1359 C ALA A 88 -12.005 -4.900 4.045 1.00 15.21 C ATOM 1360 O ALA A 88 -11.906 -5.254 2.865 1.00 62.21 O ATOM 1361 CB ALA A 88 -10.134 -4.773 5.717 1.00 1.45 C ATOM 0 H ALA A 88 -11.539 -2.844 6.336 1.00 62.32 H new ATOM 0 HA ALA A 88 -10.277 -3.645 3.910 1.00 70.11 H new ATOM 0 HB1 ALA A 88 -9.658 -5.627 5.235 1.00 1.45 H new ATOM 0 HB2 ALA A 88 -9.369 -4.121 6.138 1.00 1.45 H new ATOM 0 HB3 ALA A 88 -10.789 -5.125 6.514 1.00 1.45 H new ATOM 1367 N THR A 89 -13.024 -5.243 4.827 1.00 62.12 N ATOM 1368 CA THR A 89 -14.123 -6.077 4.356 1.00 32.11 C ATOM 1369 C THR A 89 -14.845 -5.403 3.182 1.00 11.04 C ATOM 1370 O THR A 89 -15.392 -6.074 2.298 1.00 60.04 O ATOM 1371 CB THR A 89 -15.125 -6.357 5.505 1.00 0.10 C ATOM 1372 OG1 THR A 89 -14.422 -6.833 6.665 1.00 65.15 O ATOM 1373 CG2 THR A 89 -16.170 -7.390 5.093 1.00 1.41 C ATOM 0 H THR A 89 -13.111 -4.952 5.801 1.00 62.12 H new ATOM 0 HA THR A 89 -13.708 -7.025 4.014 1.00 32.11 H new ATOM 0 HB THR A 89 -15.635 -5.422 5.736 1.00 0.10 H new ATOM 0 HG1 THR A 89 -15.062 -7.006 7.387 1.00 65.15 H new ATOM 0 HG21 THR A 89 -16.857 -7.563 5.921 1.00 1.41 H new ATOM 0 HG22 THR A 89 -16.726 -7.021 4.231 1.00 1.41 H new ATOM 0 HG23 THR A 89 -15.674 -8.325 4.831 1.00 1.41 H new ATOM 1381 N GLN A 90 -14.830 -4.070 3.178 1.00 34.31 N ATOM 1382 CA GLN A 90 -15.447 -3.282 2.113 1.00 22.20 C ATOM 1383 C GLN A 90 -14.670 -3.414 0.802 1.00 23.22 C ATOM 1384 O GLN A 90 -15.230 -3.807 -0.223 1.00 12.34 O ATOM 1385 CB GLN A 90 -15.538 -1.806 2.530 1.00 52.43 C ATOM 1386 CG GLN A 90 -16.498 -1.556 3.689 1.00 51.42 C ATOM 1387 CD GLN A 90 -17.952 -1.777 3.307 1.00 43.12 C ATOM 1388 OE1 GLN A 90 -18.470 -2.890 3.397 1.00 50.04 O ATOM 1389 NE2 GLN A 90 -18.617 -0.720 2.874 1.00 25.14 N ATOM 0 H GLN A 90 -14.392 -3.509 3.909 1.00 34.31 H new ATOM 0 HA GLN A 90 -16.453 -3.669 1.948 1.00 22.20 H new ATOM 0 HB2 GLN A 90 -14.545 -1.454 2.810 1.00 52.43 H new ATOM 0 HB3 GLN A 90 -15.856 -1.214 1.672 1.00 52.43 H new ATOM 0 HG2 GLN A 90 -16.240 -2.216 4.517 1.00 51.42 H new ATOM 0 HG3 GLN A 90 -16.372 -0.534 4.045 1.00 51.42 H new ATOM 0 HE21 GLN A 90 -18.152 0.186 2.814 1.00 25.14 H new ATOM 0 HE22 GLN A 90 -19.595 -0.810 2.600 1.00 25.14 H new ATOM 1398 N TYR A 91 -13.374 -3.100 0.838 1.00 43.54 N ATOM 1399 CA TYR A 91 -12.549 -3.127 -0.375 1.00 63.13 C ATOM 1400 C TYR A 91 -12.166 -4.555 -0.767 1.00 2.12 C ATOM 1401 O TYR A 91 -11.616 -4.778 -1.847 1.00 44.45 O ATOM 1402 CB TYR A 91 -11.299 -2.253 -0.204 1.00 53.13 C ATOM 1403 CG TYR A 91 -11.607 -0.764 -0.169 1.00 53.03 C ATOM 1404 CD1 TYR A 91 -11.934 -0.133 1.024 1.00 45.44 C ATOM 1405 CD2 TYR A 91 -11.588 0.005 -1.330 1.00 11.30 C ATOM 1406 CE1 TYR A 91 -12.235 1.214 1.065 1.00 12.35 C ATOM 1407 CE2 TYR A 91 -11.883 1.357 -1.296 1.00 52.14 C ATOM 1408 CZ TYR A 91 -12.210 1.958 -0.095 1.00 71.43 C ATOM 1409 OH TYR A 91 -12.519 3.302 -0.059 1.00 72.10 O ATOM 0 H TYR A 91 -12.875 -2.826 1.684 1.00 43.54 H new ATOM 0 HA TYR A 91 -13.148 -2.715 -1.187 1.00 63.13 H new ATOM 0 HB2 TYR A 91 -10.791 -2.534 0.719 1.00 53.13 H new ATOM 0 HB3 TYR A 91 -10.608 -2.455 -1.022 1.00 53.13 H new ATOM 0 HD1 TYR A 91 -11.953 -0.707 1.938 1.00 45.44 H new ATOM 0 HD2 TYR A 91 -11.339 -0.461 -2.272 1.00 11.30 H new ATOM 0 HE1 TYR A 91 -12.489 1.683 2.004 1.00 12.35 H new ATOM 0 HE2 TYR A 91 -11.858 1.940 -2.205 1.00 52.14 H new ATOM 0 HH TYR A 91 -12.349 3.653 0.840 1.00 72.10 H new ATOM 1419 N GLY A 92 -12.439 -5.515 0.114 1.00 44.24 N ATOM 1420 CA GLY A 92 -12.308 -6.920 -0.249 1.00 32.11 C ATOM 1421 C GLY A 92 -11.013 -7.546 0.227 1.00 52.33 C ATOM 1422 O GLY A 92 -10.264 -8.128 -0.562 1.00 72.41 O ATOM 0 H GLY A 92 -12.748 -5.347 1.071 1.00 44.24 H new ATOM 0 HA2 GLY A 92 -13.147 -7.476 0.170 1.00 32.11 H new ATOM 0 HA3 GLY A 92 -12.372 -7.015 -1.333 1.00 32.11 H new ATOM 1426 N VAL A 93 -10.744 -7.425 1.517 1.00 52.15 N ATOM 1427 CA VAL A 93 -9.581 -8.053 2.125 1.00 43.32 C ATOM 1428 C VAL A 93 -9.965 -9.416 2.703 1.00 43.30 C ATOM 1429 O VAL A 93 -10.739 -9.498 3.658 1.00 41.01 O ATOM 1430 CB VAL A 93 -8.977 -7.156 3.234 1.00 13.23 C ATOM 1431 CG1 VAL A 93 -7.839 -7.867 3.966 1.00 43.23 C ATOM 1432 CG2 VAL A 93 -8.499 -5.829 2.645 1.00 20.02 C ATOM 0 H VAL A 93 -11.321 -6.893 2.169 1.00 52.15 H new ATOM 0 HA VAL A 93 -8.825 -8.190 1.352 1.00 43.32 H new ATOM 0 HB VAL A 93 -9.760 -6.949 3.964 1.00 13.23 H new ATOM 0 HG11 VAL A 93 -7.437 -7.211 4.738 1.00 43.23 H new ATOM 0 HG12 VAL A 93 -8.217 -8.780 4.427 1.00 43.23 H new ATOM 0 HG13 VAL A 93 -7.051 -8.118 3.256 1.00 43.23 H new ATOM 0 HG21 VAL A 93 -8.077 -5.210 3.437 1.00 20.02 H new ATOM 0 HG22 VAL A 93 -7.737 -6.020 1.889 1.00 20.02 H new ATOM 0 HG23 VAL A 93 -9.341 -5.309 2.188 1.00 20.02 H new ATOM 1442 N SER A 94 -9.449 -10.481 2.096 1.00 22.22 N ATOM 1443 CA SER A 94 -9.728 -11.850 2.536 1.00 73.11 C ATOM 1444 C SER A 94 -8.425 -12.565 2.880 1.00 72.52 C ATOM 1445 O SER A 94 -8.332 -13.793 2.821 1.00 62.30 O ATOM 1446 CB SER A 94 -10.473 -12.608 1.433 1.00 44.41 C ATOM 1447 OG SER A 94 -11.615 -11.884 1.004 1.00 20.21 O ATOM 0 H SER A 94 -8.828 -10.423 1.289 1.00 22.22 H new ATOM 0 HA SER A 94 -10.354 -11.818 3.428 1.00 73.11 H new ATOM 0 HB2 SER A 94 -9.806 -12.777 0.588 1.00 44.41 H new ATOM 0 HB3 SER A 94 -10.776 -13.588 1.801 1.00 44.41 H new ATOM 0 HG SER A 94 -11.952 -12.270 0.169 1.00 20.21 H new ATOM 1453 N ALA A 95 -7.420 -11.776 3.232 1.00 21.14 N ATOM 1454 CA ALA A 95 -6.107 -12.293 3.578 1.00 14.15 C ATOM 1455 C ALA A 95 -5.420 -11.340 4.542 1.00 12.10 C ATOM 1456 O ALA A 95 -5.732 -10.148 4.568 1.00 43.34 O ATOM 1457 CB ALA A 95 -5.262 -12.476 2.321 1.00 51.24 C ATOM 0 H ALA A 95 -7.493 -10.760 3.285 1.00 21.14 H new ATOM 0 HA ALA A 95 -6.222 -13.264 4.059 1.00 14.15 H new ATOM 0 HB1 ALA A 95 -4.281 -12.864 2.595 1.00 51.24 H new ATOM 0 HB2 ALA A 95 -5.756 -13.179 1.650 1.00 51.24 H new ATOM 0 HB3 ALA A 95 -5.145 -11.516 1.818 1.00 51.24 H new ATOM 1463 N ILE A 96 -4.499 -11.861 5.338 1.00 45.00 N ATOM 1464 CA ILE A 96 -3.714 -11.030 6.238 1.00 21.10 C ATOM 1465 C ILE A 96 -2.778 -10.121 5.423 1.00 51.33 C ATOM 1466 O ILE A 96 -2.852 -8.895 5.539 1.00 1.43 O ATOM 1467 CB ILE A 96 -2.918 -11.890 7.263 1.00 12.45 C ATOM 1468 CG1 ILE A 96 -3.886 -12.698 8.147 1.00 15.15 C ATOM 1469 CG2 ILE A 96 -2.002 -11.021 8.123 1.00 24.11 C ATOM 1470 CD1 ILE A 96 -4.844 -11.845 8.958 1.00 32.32 C ATOM 0 H ILE A 96 -4.277 -12.856 5.379 1.00 45.00 H new ATOM 0 HA ILE A 96 -4.396 -10.404 6.814 1.00 21.10 H new ATOM 0 HB ILE A 96 -2.289 -12.584 6.706 1.00 12.45 H new ATOM 0 HG12 ILE A 96 -4.463 -13.371 7.513 1.00 15.15 H new ATOM 0 HG13 ILE A 96 -3.305 -13.321 8.828 1.00 15.15 H new ATOM 0 HG21 ILE A 96 -1.460 -11.651 8.829 1.00 24.11 H new ATOM 0 HG22 ILE A 96 -1.291 -10.498 7.483 1.00 24.11 H new ATOM 0 HG23 ILE A 96 -2.600 -10.294 8.672 1.00 24.11 H new ATOM 0 HD11 ILE A 96 -5.491 -12.490 9.553 1.00 32.32 H new ATOM 0 HD12 ILE A 96 -4.277 -11.190 9.620 1.00 32.32 H new ATOM 0 HD13 ILE A 96 -5.453 -11.242 8.285 1.00 32.32 H new ATOM 1482 N PRO A 97 -1.916 -10.693 4.544 1.00 13.41 N ATOM 1483 CA PRO A 97 -1.021 -9.895 3.704 1.00 11.53 C ATOM 1484 C PRO A 97 -1.732 -9.369 2.455 1.00 23.41 C ATOM 1485 O PRO A 97 -1.452 -9.797 1.330 1.00 30.51 O ATOM 1486 CB PRO A 97 0.079 -10.897 3.338 1.00 52.31 C ATOM 1487 CG PRO A 97 -0.629 -12.207 3.265 1.00 42.33 C ATOM 1488 CD PRO A 97 -1.739 -12.143 4.289 1.00 62.21 C ATOM 0 HA PRO A 97 -0.647 -9.003 4.206 1.00 11.53 H new ATOM 0 HB2 PRO A 97 0.548 -10.644 2.387 1.00 52.31 H new ATOM 0 HB3 PRO A 97 0.869 -10.913 4.089 1.00 52.31 H new ATOM 0 HG2 PRO A 97 -1.030 -12.378 2.266 1.00 42.33 H new ATOM 0 HG3 PRO A 97 0.052 -13.030 3.480 1.00 42.33 H new ATOM 0 HD2 PRO A 97 -2.656 -12.596 3.911 1.00 62.21 H new ATOM 0 HD3 PRO A 97 -1.471 -12.678 5.200 1.00 62.21 H new ATOM 1496 N THR A 98 -2.680 -8.462 2.666 1.00 33.41 N ATOM 1497 CA THR A 98 -3.402 -7.834 1.566 1.00 52.42 C ATOM 1498 C THR A 98 -2.922 -6.399 1.363 1.00 43.51 C ATOM 1499 O THR A 98 -2.990 -5.571 2.283 1.00 55.22 O ATOM 1500 CB THR A 98 -4.926 -7.833 1.810 1.00 24.13 C ATOM 1501 OG1 THR A 98 -5.388 -9.173 2.021 1.00 15.24 O ATOM 1502 CG2 THR A 98 -5.675 -7.221 0.630 1.00 11.30 C ATOM 0 H THR A 98 -2.967 -8.145 3.592 1.00 33.41 H new ATOM 0 HA THR A 98 -3.198 -8.420 0.670 1.00 52.42 H new ATOM 0 HB THR A 98 -5.123 -7.229 2.696 1.00 24.13 H new ATOM 0 HG1 THR A 98 -5.404 -9.366 2.982 1.00 15.24 H new ATOM 0 HG21 THR A 98 -6.746 -7.235 0.832 1.00 11.30 H new ATOM 0 HG22 THR A 98 -5.346 -6.192 0.485 1.00 11.30 H new ATOM 0 HG23 THR A 98 -5.468 -7.798 -0.271 1.00 11.30 H new ATOM 1510 N ILE A 99 -2.432 -6.123 0.158 1.00 40.33 N ATOM 1511 CA ILE A 99 -1.931 -4.804 -0.201 1.00 3.14 C ATOM 1512 C ILE A 99 -2.871 -4.141 -1.205 1.00 15.22 C ATOM 1513 O ILE A 99 -3.011 -4.607 -2.338 1.00 13.44 O ATOM 1514 CB ILE A 99 -0.504 -4.869 -0.822 1.00 31.54 C ATOM 1515 CG1 ILE A 99 0.512 -5.478 0.164 1.00 43.04 C ATOM 1516 CG2 ILE A 99 -0.043 -3.476 -1.261 1.00 13.14 C ATOM 1517 CD1 ILE A 99 0.392 -6.976 0.362 1.00 51.32 C ATOM 0 H ILE A 99 -2.372 -6.808 -0.595 1.00 40.33 H new ATOM 0 HA ILE A 99 -1.881 -4.221 0.719 1.00 3.14 H new ATOM 0 HB ILE A 99 -0.555 -5.516 -1.697 1.00 31.54 H new ATOM 0 HG12 ILE A 99 1.518 -5.253 -0.189 1.00 43.04 H new ATOM 0 HG13 ILE A 99 0.396 -4.988 1.131 1.00 43.04 H new ATOM 0 HG21 ILE A 99 0.956 -3.542 -1.692 1.00 13.14 H new ATOM 0 HG22 ILE A 99 -0.734 -3.082 -2.006 1.00 13.14 H new ATOM 0 HG23 ILE A 99 -0.022 -2.811 -0.398 1.00 13.14 H new ATOM 0 HD11 ILE A 99 1.148 -7.311 1.072 1.00 51.32 H new ATOM 0 HD12 ILE A 99 -0.599 -7.214 0.748 1.00 51.32 H new ATOM 0 HD13 ILE A 99 0.541 -7.482 -0.592 1.00 51.32 H new ATOM 1529 N LEU A 100 -3.536 -3.073 -0.781 1.00 44.23 N ATOM 1530 CA LEU A 100 -4.349 -2.271 -1.693 1.00 34.51 C ATOM 1531 C LEU A 100 -3.495 -1.167 -2.294 1.00 5.43 C ATOM 1532 O LEU A 100 -2.782 -0.469 -1.575 1.00 64.02 O ATOM 1533 CB LEU A 100 -5.564 -1.656 -0.981 1.00 45.41 C ATOM 1534 CG LEU A 100 -6.714 -2.626 -0.665 1.00 32.53 C ATOM 1535 CD1 LEU A 100 -7.865 -1.885 0.010 1.00 53.42 C ATOM 1536 CD2 LEU A 100 -7.201 -3.324 -1.935 1.00 2.15 C ATOM 0 H LEU A 100 -3.530 -2.742 0.184 1.00 44.23 H new ATOM 0 HA LEU A 100 -4.721 -2.928 -2.479 1.00 34.51 H new ATOM 0 HB2 LEU A 100 -5.226 -1.207 -0.047 1.00 45.41 H new ATOM 0 HB3 LEU A 100 -5.954 -0.848 -1.600 1.00 45.41 H new ATOM 0 HG LEU A 100 -6.340 -3.387 0.020 1.00 32.53 H new ATOM 0 HD11 LEU A 100 -8.671 -2.586 0.227 1.00 53.42 H new ATOM 0 HD12 LEU A 100 -7.514 -1.437 0.939 1.00 53.42 H new ATOM 0 HD13 LEU A 100 -8.233 -1.103 -0.654 1.00 53.42 H new ATOM 0 HD21 LEU A 100 -8.015 -4.005 -1.687 1.00 2.15 H new ATOM 0 HD22 LEU A 100 -7.556 -2.579 -2.646 1.00 2.15 H new ATOM 0 HD23 LEU A 100 -6.380 -3.887 -2.379 1.00 2.15 H new ATOM 1548 N MET A 101 -3.556 -1.024 -3.609 1.00 54.03 N ATOM 1549 CA MET A 101 -2.777 -0.014 -4.305 1.00 21.54 C ATOM 1550 C MET A 101 -3.710 1.070 -4.840 1.00 41.12 C ATOM 1551 O MET A 101 -4.803 0.767 -5.312 1.00 0.52 O ATOM 1552 CB MET A 101 -1.988 -0.665 -5.458 1.00 23.14 C ATOM 1553 CG MET A 101 -1.243 -1.937 -5.057 1.00 72.35 C ATOM 1554 SD MET A 101 -0.032 -2.461 -6.283 1.00 43.21 S ATOM 1555 CE MET A 101 1.155 -1.125 -6.161 1.00 33.14 C ATOM 0 H MET A 101 -4.140 -1.598 -4.217 1.00 54.03 H new ATOM 0 HA MET A 101 -2.068 0.441 -3.613 1.00 21.54 H new ATOM 0 HB2 MET A 101 -2.677 -0.900 -6.270 1.00 23.14 H new ATOM 0 HB3 MET A 101 -1.270 0.057 -5.848 1.00 23.14 H new ATOM 0 HG2 MET A 101 -0.739 -1.771 -4.105 1.00 72.35 H new ATOM 0 HG3 MET A 101 -1.964 -2.739 -4.901 1.00 72.35 H new ATOM 0 HE1 MET A 101 1.077 -0.487 -7.042 1.00 33.14 H new ATOM 0 HE2 MET A 101 0.949 -0.536 -5.267 1.00 33.14 H new ATOM 0 HE3 MET A 101 2.162 -1.538 -6.100 1.00 33.14 H new ATOM 1565 N PHE A 102 -3.292 2.328 -4.728 1.00 45.31 N ATOM 1566 CA PHE A 102 -4.038 3.462 -5.287 1.00 32.14 C ATOM 1567 C PHE A 102 -3.060 4.509 -5.806 1.00 0.15 C ATOM 1568 O PHE A 102 -1.992 4.701 -5.225 1.00 11.41 O ATOM 1569 CB PHE A 102 -4.965 4.093 -4.231 1.00 31.35 C ATOM 1570 CG PHE A 102 -6.061 3.177 -3.747 1.00 34.12 C ATOM 1571 CD1 PHE A 102 -7.221 3.008 -4.494 1.00 72.13 C ATOM 1572 CD2 PHE A 102 -5.932 2.484 -2.552 1.00 40.44 C ATOM 1573 CE1 PHE A 102 -8.228 2.170 -4.054 1.00 53.01 C ATOM 1574 CE2 PHE A 102 -6.938 1.648 -2.110 1.00 1.32 C ATOM 1575 CZ PHE A 102 -8.086 1.490 -2.861 1.00 70.43 C ATOM 0 H PHE A 102 -2.431 2.594 -4.250 1.00 45.31 H new ATOM 0 HA PHE A 102 -4.657 3.096 -6.106 1.00 32.14 H new ATOM 0 HB2 PHE A 102 -4.365 4.406 -3.377 1.00 31.35 H new ATOM 0 HB3 PHE A 102 -5.416 4.992 -4.650 1.00 31.35 H new ATOM 0 HD1 PHE A 102 -7.337 3.537 -5.428 1.00 72.13 H new ATOM 0 HD2 PHE A 102 -5.035 2.600 -1.961 1.00 40.44 H new ATOM 0 HE1 PHE A 102 -9.125 2.047 -4.643 1.00 53.01 H new ATOM 0 HE2 PHE A 102 -6.827 1.117 -1.176 1.00 1.32 H new ATOM 0 HZ PHE A 102 -8.872 0.835 -2.515 1.00 70.43 H new ATOM 1585 N LYS A 103 -3.407 5.180 -6.902 1.00 31.21 N ATOM 1586 CA LYS A 103 -2.527 6.207 -7.464 1.00 41.32 C ATOM 1587 C LYS A 103 -3.220 7.565 -7.464 1.00 52.02 C ATOM 1588 O LYS A 103 -4.100 7.821 -8.286 1.00 45.02 O ATOM 1589 CB LYS A 103 -2.080 5.837 -8.889 1.00 2.42 C ATOM 1590 CG LYS A 103 -1.149 6.875 -9.520 1.00 35.50 C ATOM 1591 CD LYS A 103 -0.626 6.444 -10.890 1.00 62.05 C ATOM 1592 CE LYS A 103 -1.747 6.246 -11.905 1.00 15.11 C ATOM 1593 NZ LYS A 103 -1.218 5.890 -13.249 1.00 24.32 N ATOM 0 H LYS A 103 -4.277 5.036 -7.414 1.00 31.21 H new ATOM 0 HA LYS A 103 -1.639 6.266 -6.834 1.00 41.32 H new ATOM 0 HB2 LYS A 103 -1.574 4.872 -8.864 1.00 2.42 H new ATOM 0 HB3 LYS A 103 -2.961 5.718 -9.520 1.00 2.42 H new ATOM 0 HG2 LYS A 103 -1.681 7.821 -9.620 1.00 35.50 H new ATOM 0 HG3 LYS A 103 -0.305 7.053 -8.853 1.00 35.50 H new ATOM 0 HD2 LYS A 103 0.070 7.196 -11.263 1.00 62.05 H new ATOM 0 HD3 LYS A 103 -0.066 5.515 -10.786 1.00 62.05 H new ATOM 0 HE2 LYS A 103 -2.417 5.459 -11.558 1.00 15.11 H new ATOM 0 HE3 LYS A 103 -2.338 7.159 -11.977 1.00 15.11 H new ATOM 0 HZ1 LYS A 103 -2.010 5.764 -13.911 1.00 24.32 H new ATOM 0 HZ2 LYS A 103 -0.599 6.652 -13.591 1.00 24.32 H new ATOM 0 HZ3 LYS A 103 -0.675 5.005 -13.185 1.00 24.32 H new ATOM 1607 N ASN A 104 -2.813 8.430 -6.535 1.00 63.21 N ATOM 1608 CA ASN A 104 -3.378 9.776 -6.417 1.00 64.14 C ATOM 1609 C ASN A 104 -4.891 9.700 -6.166 1.00 40.44 C ATOM 1610 O ASN A 104 -5.656 10.587 -6.554 1.00 45.30 O ATOM 1611 CB ASN A 104 -3.062 10.593 -7.684 1.00 31.42 C ATOM 1612 CG ASN A 104 -3.473 12.054 -7.581 1.00 64.22 C ATOM 1613 OD1 ASN A 104 -3.483 12.635 -6.496 1.00 24.42 O ATOM 1614 ND2 ASN A 104 -3.807 12.657 -8.712 1.00 54.35 N ATOM 0 H ASN A 104 -2.089 8.221 -5.848 1.00 63.21 H new ATOM 0 HA ASN A 104 -2.924 10.281 -5.565 1.00 64.14 H new ATOM 0 HB2 ASN A 104 -1.992 10.538 -7.885 1.00 31.42 H new ATOM 0 HB3 ASN A 104 -3.570 10.140 -8.535 1.00 31.42 H new ATOM 0 HD21 ASN A 104 -4.085 13.638 -8.704 1.00 54.35 H new ATOM 0 HD22 ASN A 104 -3.786 12.140 -9.591 1.00 54.35 H new ATOM 1621 N GLY A 105 -5.316 8.631 -5.497 1.00 62.31 N ATOM 1622 CA GLY A 105 -6.728 8.434 -5.212 1.00 24.44 C ATOM 1623 C GLY A 105 -7.415 7.598 -6.279 1.00 73.42 C ATOM 1624 O GLY A 105 -8.508 7.078 -6.059 1.00 35.42 O ATOM 0 H GLY A 105 -4.704 7.894 -5.146 1.00 62.31 H new ATOM 0 HA2 GLY A 105 -6.837 7.946 -4.243 1.00 24.44 H new ATOM 0 HA3 GLY A 105 -7.221 9.403 -5.138 1.00 24.44 H new ATOM 1628 N LYS A 106 -6.763 7.466 -7.436 1.00 53.44 N ATOM 1629 CA LYS A 106 -7.307 6.699 -8.556 1.00 63.22 C ATOM 1630 C LYS A 106 -7.221 5.204 -8.260 1.00 14.41 C ATOM 1631 O LYS A 106 -6.241 4.735 -7.666 1.00 30.35 O ATOM 1632 CB LYS A 106 -6.548 7.026 -9.852 1.00 42.21 C ATOM 1633 CG LYS A 106 -7.154 6.404 -11.107 1.00 21.11 C ATOM 1634 CD LYS A 106 -6.317 6.705 -12.347 1.00 23.35 C ATOM 1635 CE LYS A 106 -7.023 6.274 -13.627 1.00 40.24 C ATOM 1636 NZ LYS A 106 -8.270 7.055 -13.857 1.00 3.13 N ATOM 0 H LYS A 106 -5.851 7.884 -7.621 1.00 53.44 H new ATOM 0 HA LYS A 106 -8.353 6.974 -8.688 1.00 63.22 H new ATOM 0 HB2 LYS A 106 -6.514 8.108 -9.977 1.00 42.21 H new ATOM 0 HB3 LYS A 106 -5.518 6.684 -9.752 1.00 42.21 H new ATOM 0 HG2 LYS A 106 -7.235 5.325 -10.976 1.00 21.11 H new ATOM 0 HG3 LYS A 106 -8.165 6.784 -11.250 1.00 21.11 H new ATOM 0 HD2 LYS A 106 -6.105 7.773 -12.391 1.00 23.35 H new ATOM 0 HD3 LYS A 106 -5.358 6.192 -12.271 1.00 23.35 H new ATOM 0 HE2 LYS A 106 -6.351 6.404 -14.475 1.00 40.24 H new ATOM 0 HE3 LYS A 106 -7.264 5.212 -13.570 1.00 40.24 H new ATOM 0 HZ1 LYS A 106 -8.567 6.951 -14.848 1.00 3.13 H new ATOM 0 HZ2 LYS A 106 -9.022 6.701 -13.232 1.00 3.13 H new ATOM 0 HZ3 LYS A 106 -8.094 8.059 -13.652 1.00 3.13 H new ATOM 1650 N LYS A 107 -8.247 4.474 -8.691 1.00 14.32 N ATOM 1651 CA LYS A 107 -8.375 3.048 -8.404 1.00 4.01 C ATOM 1652 C LYS A 107 -7.237 2.252 -9.042 1.00 42.21 C ATOM 1653 O LYS A 107 -6.770 2.572 -10.140 1.00 51.40 O ATOM 1654 CB LYS A 107 -9.744 2.542 -8.872 1.00 23.22 C ATOM 1655 CG LYS A 107 -10.905 3.343 -8.281 1.00 71.15 C ATOM 1656 CD LYS A 107 -10.945 3.255 -6.754 1.00 23.02 C ATOM 1657 CE LYS A 107 -11.842 4.330 -6.145 1.00 64.22 C ATOM 1658 NZ LYS A 107 -13.226 4.284 -6.686 1.00 15.43 N ATOM 0 H LYS A 107 -9.012 4.854 -9.248 1.00 14.32 H new ATOM 0 HA LYS A 107 -8.304 2.901 -7.326 1.00 4.01 H new ATOM 0 HB2 LYS A 107 -9.792 2.590 -9.960 1.00 23.22 H new ATOM 0 HB3 LYS A 107 -9.853 1.494 -8.594 1.00 23.22 H new ATOM 0 HG2 LYS A 107 -10.815 4.387 -8.582 1.00 71.15 H new ATOM 0 HG3 LYS A 107 -11.845 2.973 -8.690 1.00 71.15 H new ATOM 0 HD2 LYS A 107 -11.305 2.270 -6.456 1.00 23.02 H new ATOM 0 HD3 LYS A 107 -9.935 3.358 -6.358 1.00 23.02 H new ATOM 0 HE2 LYS A 107 -11.873 4.204 -5.063 1.00 64.22 H new ATOM 0 HE3 LYS A 107 -11.411 5.312 -6.339 1.00 64.22 H new ATOM 0 HZ1 LYS A 107 -13.830 4.938 -6.149 1.00 15.43 H new ATOM 0 HZ2 LYS A 107 -13.217 4.564 -7.688 1.00 15.43 H new ATOM 0 HZ3 LYS A 107 -13.600 3.318 -6.600 1.00 15.43 H new ATOM 1672 N LEU A 108 -6.825 1.200 -8.353 1.00 22.42 N ATOM 1673 CA LEU A 108 -5.567 0.529 -8.627 1.00 13.53 C ATOM 1674 C LEU A 108 -5.557 -0.867 -8.006 1.00 14.01 C ATOM 1675 O LEU A 108 -6.466 -1.232 -7.260 1.00 14.35 O ATOM 1676 CB LEU A 108 -4.346 1.339 -8.185 1.00 22.14 C ATOM 1677 CG LEU A 108 -3.139 1.222 -9.134 1.00 73.40 C ATOM 1678 CD1 LEU A 108 -3.253 2.219 -10.284 1.00 20.12 C ATOM 1679 CD2 LEU A 108 -1.830 1.378 -8.376 1.00 65.14 C ATOM 0 H LEU A 108 -7.356 0.787 -7.586 1.00 22.42 H new ATOM 0 HA LEU A 108 -5.491 0.434 -9.710 1.00 13.53 H new ATOM 0 HB2 LEU A 108 -4.630 2.388 -8.102 1.00 22.14 H new ATOM 0 HB3 LEU A 108 -4.046 1.011 -7.190 1.00 22.14 H new ATOM 0 HG LEU A 108 -3.142 0.222 -9.568 1.00 73.40 H new ATOM 0 HD11 LEU A 108 -2.389 2.117 -10.941 1.00 20.12 H new ATOM 0 HD12 LEU A 108 -4.164 2.020 -10.849 1.00 20.12 H new ATOM 0 HD13 LEU A 108 -3.288 3.233 -9.885 1.00 20.12 H new ATOM 0 HD21 LEU A 108 -0.995 1.291 -9.071 1.00 65.14 H new ATOM 0 HD22 LEU A 108 -1.802 2.356 -7.896 1.00 65.14 H new ATOM 0 HD23 LEU A 108 -1.754 0.599 -7.618 1.00 65.14 H new ATOM 1691 N SER A 109 -4.548 -1.651 -8.365 1.00 30.04 N ATOM 1692 CA SER A 109 -4.533 -3.093 -8.182 1.00 22.13 C ATOM 1693 C SER A 109 -4.427 -3.510 -6.711 1.00 24.00 C ATOM 1694 O SER A 109 -4.170 -2.694 -5.823 1.00 74.51 O ATOM 1695 CB SER A 109 -3.289 -3.618 -8.912 1.00 24.22 C ATOM 1696 OG SER A 109 -3.454 -3.601 -10.318 1.00 2.03 O ATOM 0 H SER A 109 -3.699 -1.291 -8.801 1.00 30.04 H new ATOM 0 HA SER A 109 -5.468 -3.499 -8.567 1.00 22.13 H new ATOM 0 HB2 SER A 109 -2.426 -3.010 -8.641 1.00 24.22 H new ATOM 0 HB3 SER A 109 -3.078 -4.636 -8.584 1.00 24.22 H new ATOM 0 HG SER A 109 -2.577 -3.660 -10.751 1.00 2.03 H new ATOM 1702 N GLN A 110 -4.662 -4.798 -6.481 1.00 24.25 N ATOM 1703 CA GLN A 110 -4.641 -5.386 -5.151 1.00 50.41 C ATOM 1704 C GLN A 110 -3.696 -6.585 -5.141 1.00 43.52 C ATOM 1705 O GLN A 110 -3.903 -7.551 -5.875 1.00 51.35 O ATOM 1706 CB GLN A 110 -6.061 -5.831 -4.767 1.00 64.30 C ATOM 1707 CG GLN A 110 -6.176 -6.452 -3.379 1.00 40.33 C ATOM 1708 CD GLN A 110 -7.556 -7.030 -3.112 1.00 34.43 C ATOM 1709 OE1 GLN A 110 -8.233 -7.505 -4.027 1.00 71.43 O ATOM 1710 NE2 GLN A 110 -7.987 -6.984 -1.862 1.00 31.44 N ATOM 0 H GLN A 110 -4.874 -5.467 -7.221 1.00 24.25 H new ATOM 0 HA GLN A 110 -4.290 -4.649 -4.428 1.00 50.41 H new ATOM 0 HB2 GLN A 110 -6.725 -4.969 -4.821 1.00 64.30 H new ATOM 0 HB3 GLN A 110 -6.414 -6.552 -5.504 1.00 64.30 H new ATOM 0 HG2 GLN A 110 -5.429 -7.239 -3.274 1.00 40.33 H new ATOM 0 HG3 GLN A 110 -5.950 -5.696 -2.627 1.00 40.33 H new ATOM 0 HE21 GLN A 110 -7.397 -6.583 -1.133 1.00 31.44 H new ATOM 0 HE22 GLN A 110 -8.910 -7.350 -1.627 1.00 31.44 H new ATOM 1719 N VAL A 111 -2.654 -6.515 -4.324 1.00 60.04 N ATOM 1720 CA VAL A 111 -1.689 -7.602 -4.217 1.00 34.53 C ATOM 1721 C VAL A 111 -2.053 -8.495 -3.030 1.00 64.44 C ATOM 1722 O VAL A 111 -1.913 -8.095 -1.874 1.00 22.21 O ATOM 1723 CB VAL A 111 -0.243 -7.054 -4.048 1.00 72.53 C ATOM 1724 CG1 VAL A 111 0.792 -8.178 -4.115 1.00 32.52 C ATOM 1725 CG2 VAL A 111 0.056 -5.981 -5.097 1.00 25.13 C ATOM 0 H VAL A 111 -2.455 -5.715 -3.724 1.00 60.04 H new ATOM 0 HA VAL A 111 -1.722 -8.185 -5.137 1.00 34.53 H new ATOM 0 HB VAL A 111 -0.175 -6.599 -3.060 1.00 72.53 H new ATOM 0 HG11 VAL A 111 1.791 -7.760 -3.993 1.00 32.52 H new ATOM 0 HG12 VAL A 111 0.600 -8.897 -3.319 1.00 32.52 H new ATOM 0 HG13 VAL A 111 0.723 -8.679 -5.081 1.00 32.52 H new ATOM 0 HG21 VAL A 111 1.072 -5.612 -4.960 1.00 25.13 H new ATOM 0 HG22 VAL A 111 -0.043 -6.410 -6.094 1.00 25.13 H new ATOM 0 HG23 VAL A 111 -0.648 -5.156 -4.985 1.00 25.13 H new ATOM 1735 N ILE A 112 -2.564 -9.690 -3.322 1.00 55.40 N ATOM 1736 CA ILE A 112 -2.916 -10.649 -2.278 1.00 30.42 C ATOM 1737 C ILE A 112 -1.774 -11.641 -2.089 1.00 22.13 C ATOM 1738 O ILE A 112 -1.607 -12.568 -2.889 1.00 64.33 O ATOM 1739 CB ILE A 112 -4.221 -11.441 -2.590 1.00 53.11 C ATOM 1740 CG1 ILE A 112 -5.402 -10.497 -2.893 1.00 61.21 C ATOM 1741 CG2 ILE A 112 -4.574 -12.369 -1.426 1.00 10.21 C ATOM 1742 CD1 ILE A 112 -5.387 -9.924 -4.294 1.00 35.41 C ATOM 0 H ILE A 112 -2.743 -10.016 -4.272 1.00 55.40 H new ATOM 0 HA ILE A 112 -3.091 -10.072 -1.370 1.00 30.42 H new ATOM 0 HB ILE A 112 -4.036 -12.040 -3.481 1.00 53.11 H new ATOM 0 HG12 ILE A 112 -6.335 -11.040 -2.743 1.00 61.21 H new ATOM 0 HG13 ILE A 112 -5.392 -9.676 -2.176 1.00 61.21 H new ATOM 0 HG21 ILE A 112 -5.488 -12.915 -1.660 1.00 10.21 H new ATOM 0 HG22 ILE A 112 -3.760 -13.076 -1.265 1.00 10.21 H new ATOM 0 HG23 ILE A 112 -4.726 -11.778 -0.523 1.00 10.21 H new ATOM 0 HD11 ILE A 112 -6.249 -9.271 -4.429 1.00 35.41 H new ATOM 0 HD12 ILE A 112 -4.471 -9.352 -4.443 1.00 35.41 H new ATOM 0 HD13 ILE A 112 -5.430 -10.736 -5.020 1.00 35.41 H new ATOM 1754 N GLY A 113 -0.985 -11.437 -1.042 1.00 62.51 N ATOM 1755 CA GLY A 113 0.153 -12.298 -0.780 1.00 31.22 C ATOM 1756 C GLY A 113 1.463 -11.571 -0.994 1.00 44.54 C ATOM 1757 O GLY A 113 1.492 -10.482 -1.571 1.00 73.14 O ATOM 0 H GLY A 113 -1.114 -10.685 -0.365 1.00 62.51 H new ATOM 0 HA2 GLY A 113 0.103 -12.666 0.245 1.00 31.22 H new ATOM 0 HA3 GLY A 113 0.109 -13.169 -1.434 1.00 31.22 H new ATOM 1761 N ALA A 114 2.553 -12.171 -0.538 1.00 25.35 N ATOM 1762 CA ALA A 114 3.865 -11.546 -0.626 1.00 2.24 C ATOM 1763 C ALA A 114 4.497 -11.784 -1.997 1.00 14.34 C ATOM 1764 O ALA A 114 5.235 -12.754 -2.188 1.00 60.25 O ATOM 1765 CB ALA A 114 4.770 -12.070 0.487 1.00 2.30 C ATOM 0 H ALA A 114 2.555 -13.093 -0.102 1.00 25.35 H new ATOM 0 HA ALA A 114 3.743 -10.470 -0.501 1.00 2.24 H new ATOM 0 HB1 ALA A 114 5.749 -11.597 0.413 1.00 2.30 H new ATOM 0 HB2 ALA A 114 4.327 -11.838 1.456 1.00 2.30 H new ATOM 0 HB3 ALA A 114 4.881 -13.150 0.388 1.00 2.30 H new ATOM 1771 N ASP A 115 4.179 -10.918 -2.960 1.00 62.34 N ATOM 1772 CA ASP A 115 4.802 -10.981 -4.282 1.00 3.32 C ATOM 1773 C ASP A 115 5.434 -9.631 -4.619 1.00 63.43 C ATOM 1774 O ASP A 115 4.811 -8.752 -5.243 1.00 60.14 O ATOM 1775 CB ASP A 115 3.793 -11.396 -5.364 1.00 32.31 C ATOM 1776 CG ASP A 115 4.480 -11.864 -6.642 1.00 21.45 C ATOM 1777 OD1 ASP A 115 4.825 -11.018 -7.489 1.00 63.13 O ATOM 1778 OD2 ASP A 115 4.697 -13.088 -6.795 1.00 60.12 O ATOM 0 H ASP A 115 3.497 -10.168 -2.850 1.00 62.34 H new ATOM 0 HA ASP A 115 5.580 -11.744 -4.258 1.00 3.32 H new ATOM 0 HB2 ASP A 115 3.159 -12.196 -4.980 1.00 32.31 H new ATOM 0 HB3 ASP A 115 3.140 -10.554 -5.592 1.00 32.31 H new ATOM 1783 N ILE A 116 6.678 -9.469 -4.176 1.00 22.44 N ATOM 1784 CA ILE A 116 7.396 -8.208 -4.308 1.00 14.04 C ATOM 1785 C ILE A 116 7.582 -7.862 -5.789 1.00 13.22 C ATOM 1786 O ILE A 116 7.649 -6.692 -6.156 1.00 54.00 O ATOM 1787 CB ILE A 116 8.774 -8.271 -3.568 1.00 20.40 C ATOM 1788 CG1 ILE A 116 9.135 -6.911 -2.917 1.00 4.14 C ATOM 1789 CG2 ILE A 116 9.895 -8.739 -4.501 1.00 2.44 C ATOM 1790 CD1 ILE A 116 9.377 -5.775 -3.891 1.00 25.43 C ATOM 0 H ILE A 116 7.214 -10.206 -3.717 1.00 22.44 H new ATOM 0 HA ILE A 116 6.806 -7.420 -3.840 1.00 14.04 H new ATOM 0 HB ILE A 116 8.672 -9.008 -2.771 1.00 20.40 H new ATOM 0 HG12 ILE A 116 8.329 -6.624 -2.241 1.00 4.14 H new ATOM 0 HG13 ILE A 116 10.029 -7.043 -2.308 1.00 4.14 H new ATOM 0 HG21 ILE A 116 10.836 -8.770 -3.952 1.00 2.44 H new ATOM 0 HG22 ILE A 116 9.662 -9.735 -4.879 1.00 2.44 H new ATOM 0 HG23 ILE A 116 9.986 -8.046 -5.337 1.00 2.44 H new ATOM 0 HD11 ILE A 116 9.622 -4.868 -3.338 1.00 25.43 H new ATOM 0 HD12 ILE A 116 10.205 -6.032 -4.552 1.00 25.43 H new ATOM 0 HD13 ILE A 116 8.478 -5.607 -4.484 1.00 25.43 H new ATOM 1802 N SER A 117 7.627 -8.890 -6.635 1.00 55.14 N ATOM 1803 CA SER A 117 7.795 -8.699 -8.069 1.00 24.10 C ATOM 1804 C SER A 117 6.601 -7.933 -8.642 1.00 51.22 C ATOM 1805 O SER A 117 6.773 -6.956 -9.373 1.00 61.24 O ATOM 1806 CB SER A 117 7.960 -10.053 -8.773 1.00 62.12 C ATOM 1807 OG SER A 117 8.242 -9.887 -10.154 1.00 34.24 O ATOM 0 H SER A 117 7.549 -9.866 -6.348 1.00 55.14 H new ATOM 0 HA SER A 117 8.697 -8.112 -8.242 1.00 24.10 H new ATOM 0 HB2 SER A 117 8.766 -10.615 -8.300 1.00 62.12 H new ATOM 0 HB3 SER A 117 7.049 -10.640 -8.654 1.00 62.12 H new ATOM 0 HG SER A 117 8.343 -10.766 -10.575 1.00 34.24 H new ATOM 1813 N LYS A 118 5.388 -8.360 -8.289 1.00 75.23 N ATOM 1814 CA LYS A 118 4.188 -7.681 -8.761 1.00 12.30 C ATOM 1815 C LYS A 118 4.072 -6.307 -8.111 1.00 73.22 C ATOM 1816 O LYS A 118 3.688 -5.335 -8.766 1.00 62.05 O ATOM 1817 CB LYS A 118 2.918 -8.504 -8.485 1.00 31.32 C ATOM 1818 CG LYS A 118 1.651 -7.863 -9.056 1.00 41.34 C ATOM 1819 CD LYS A 118 1.685 -7.813 -10.587 1.00 15.15 C ATOM 1820 CE LYS A 118 0.928 -6.609 -11.144 1.00 32.13 C ATOM 1821 NZ LYS A 118 -0.492 -6.562 -10.699 1.00 75.32 N ATOM 0 H LYS A 118 5.214 -9.163 -7.685 1.00 75.23 H new ATOM 0 HA LYS A 118 4.279 -7.565 -9.841 1.00 12.30 H new ATOM 0 HB2 LYS A 118 3.038 -9.500 -8.911 1.00 31.32 H new ATOM 0 HB3 LYS A 118 2.801 -8.630 -7.409 1.00 31.32 H new ATOM 0 HG2 LYS A 118 0.778 -8.428 -8.729 1.00 41.34 H new ATOM 0 HG3 LYS A 118 1.544 -6.853 -8.661 1.00 41.34 H new ATOM 0 HD2 LYS A 118 2.721 -7.776 -10.924 1.00 15.15 H new ATOM 0 HD3 LYS A 118 1.252 -8.729 -10.988 1.00 15.15 H new ATOM 0 HE2 LYS A 118 1.432 -5.694 -10.833 1.00 32.13 H new ATOM 0 HE3 LYS A 118 0.962 -6.637 -12.233 1.00 32.13 H new ATOM 0 HZ1 LYS A 118 -0.899 -5.634 -10.933 1.00 75.32 H new ATOM 0 HZ2 LYS A 118 -1.032 -7.308 -11.182 1.00 75.32 H new ATOM 0 HZ3 LYS A 118 -0.539 -6.711 -9.671 1.00 75.32 H new ATOM 1835 N ILE A 119 4.410 -6.229 -6.822 1.00 33.42 N ATOM 1836 CA ILE A 119 4.387 -4.951 -6.105 1.00 71.55 C ATOM 1837 C ILE A 119 5.255 -3.910 -6.827 1.00 32.41 C ATOM 1838 O ILE A 119 4.776 -2.836 -7.213 1.00 3.44 O ATOM 1839 CB ILE A 119 4.880 -5.113 -4.641 1.00 11.25 C ATOM 1840 CG1 ILE A 119 3.929 -6.033 -3.855 1.00 4.03 C ATOM 1841 CG2 ILE A 119 5.009 -3.752 -3.956 1.00 43.05 C ATOM 1842 CD1 ILE A 119 4.353 -6.274 -2.420 1.00 3.14 C ATOM 0 H ILE A 119 4.700 -7.027 -6.257 1.00 33.42 H new ATOM 0 HA ILE A 119 3.353 -4.607 -6.086 1.00 71.55 H new ATOM 0 HB ILE A 119 5.868 -5.573 -4.660 1.00 11.25 H new ATOM 0 HG12 ILE A 119 2.930 -5.596 -3.860 1.00 4.03 H new ATOM 0 HG13 ILE A 119 3.860 -6.992 -4.369 1.00 4.03 H new ATOM 0 HG21 ILE A 119 5.356 -3.891 -2.932 1.00 43.05 H new ATOM 0 HG22 ILE A 119 5.725 -3.137 -4.501 1.00 43.05 H new ATOM 0 HG23 ILE A 119 4.038 -3.256 -3.946 1.00 43.05 H new ATOM 0 HD11 ILE A 119 3.633 -6.931 -1.933 1.00 3.14 H new ATOM 0 HD12 ILE A 119 5.338 -6.741 -2.405 1.00 3.14 H new ATOM 0 HD13 ILE A 119 4.394 -5.323 -1.888 1.00 3.14 H new ATOM 1854 N ILE A 120 6.526 -4.250 -7.032 1.00 70.11 N ATOM 1855 CA ILE A 120 7.474 -3.337 -7.673 1.00 42.01 C ATOM 1856 C ILE A 120 7.081 -3.091 -9.133 1.00 12.54 C ATOM 1857 O ILE A 120 7.276 -1.989 -9.664 1.00 3.05 O ATOM 1858 CB ILE A 120 8.941 -3.851 -7.596 1.00 31.42 C ATOM 1859 CG1 ILE A 120 9.915 -2.770 -8.101 1.00 13.24 C ATOM 1860 CG2 ILE A 120 9.115 -5.144 -8.388 1.00 75.40 C ATOM 1861 CD1 ILE A 120 11.374 -3.171 -8.026 1.00 14.01 C ATOM 0 H ILE A 120 6.924 -5.150 -6.764 1.00 70.11 H new ATOM 0 HA ILE A 120 7.428 -2.398 -7.122 1.00 42.01 H new ATOM 0 HB ILE A 120 9.170 -4.066 -6.552 1.00 31.42 H new ATOM 0 HG12 ILE A 120 9.668 -2.528 -9.135 1.00 13.24 H new ATOM 0 HG13 ILE A 120 9.768 -1.862 -7.517 1.00 13.24 H new ATOM 0 HG21 ILE A 120 10.150 -5.479 -8.316 1.00 75.40 H new ATOM 0 HG22 ILE A 120 8.456 -5.911 -7.981 1.00 75.40 H new ATOM 0 HG23 ILE A 120 8.863 -4.967 -9.434 1.00 75.40 H new ATOM 0 HD11 ILE A 120 11.995 -2.357 -8.399 1.00 14.01 H new ATOM 0 HD12 ILE A 120 11.640 -3.385 -6.991 1.00 14.01 H new ATOM 0 HD13 ILE A 120 11.538 -4.061 -8.634 1.00 14.01 H new ATOM 1873 N SER A 121 6.519 -4.121 -9.770 1.00 43.11 N ATOM 1874 CA SER A 121 6.025 -4.005 -11.134 1.00 34.42 C ATOM 1875 C SER A 121 5.029 -2.849 -11.224 1.00 23.15 C ATOM 1876 O SER A 121 5.175 -1.955 -12.060 1.00 44.31 O ATOM 1877 CB SER A 121 5.371 -5.317 -11.584 1.00 23.24 C ATOM 1878 OG SER A 121 4.905 -5.228 -12.919 1.00 23.02 O ATOM 0 H SER A 121 6.397 -5.046 -9.357 1.00 43.11 H new ATOM 0 HA SER A 121 6.865 -3.802 -11.799 1.00 34.42 H new ATOM 0 HB2 SER A 121 6.090 -6.132 -11.501 1.00 23.24 H new ATOM 0 HB3 SER A 121 4.540 -5.557 -10.921 1.00 23.24 H new ATOM 0 HG SER A 121 4.494 -6.079 -13.180 1.00 23.02 H new ATOM 1884 N GLU A 122 4.037 -2.860 -10.332 1.00 65.03 N ATOM 1885 CA GLU A 122 3.043 -1.794 -10.279 1.00 62.31 C ATOM 1886 C GLU A 122 3.704 -0.464 -9.927 1.00 24.04 C ATOM 1887 O GLU A 122 3.361 0.575 -10.496 1.00 72.12 O ATOM 1888 CB GLU A 122 1.944 -2.123 -9.262 1.00 40.02 C ATOM 1889 CG GLU A 122 1.012 -3.259 -9.680 1.00 74.22 C ATOM 1890 CD GLU A 122 0.052 -2.896 -10.813 1.00 1.51 C ATOM 1891 OE1 GLU A 122 0.023 -1.720 -11.244 1.00 45.32 O ATOM 1892 OE2 GLU A 122 -0.694 -3.795 -11.262 1.00 64.31 O ATOM 0 H GLU A 122 3.903 -3.596 -9.638 1.00 65.03 H new ATOM 0 HA GLU A 122 2.586 -1.709 -11.265 1.00 62.31 H new ATOM 0 HB2 GLU A 122 2.412 -2.385 -8.313 1.00 40.02 H new ATOM 0 HB3 GLU A 122 1.348 -1.227 -9.088 1.00 40.02 H new ATOM 0 HG2 GLU A 122 1.614 -4.113 -9.989 1.00 74.22 H new ATOM 0 HG3 GLU A 122 0.431 -3.575 -8.814 1.00 74.22 H new ATOM 1899 N ILE A 123 4.661 -0.495 -9.001 1.00 71.45 N ATOM 1900 CA ILE A 123 5.363 0.722 -8.598 1.00 41.31 C ATOM 1901 C ILE A 123 5.913 1.464 -9.818 1.00 72.53 C ATOM 1902 O ILE A 123 5.580 2.629 -10.050 1.00 32.54 O ATOM 1903 CB ILE A 123 6.502 0.437 -7.585 1.00 61.43 C ATOM 1904 CG1 ILE A 123 5.917 -0.054 -6.247 1.00 53.41 C ATOM 1905 CG2 ILE A 123 7.371 1.680 -7.371 1.00 30.12 C ATOM 1906 CD1 ILE A 123 6.961 -0.372 -5.195 1.00 31.33 C ATOM 0 H ILE A 123 4.966 -1.341 -8.520 1.00 71.45 H new ATOM 0 HA ILE A 123 4.631 1.356 -8.097 1.00 41.31 H new ATOM 0 HB ILE A 123 7.136 -0.348 -7.997 1.00 61.43 H new ATOM 0 HG12 ILE A 123 5.243 0.708 -5.856 1.00 53.41 H new ATOM 0 HG13 ILE A 123 5.318 -0.946 -6.430 1.00 53.41 H new ATOM 0 HG21 ILE A 123 8.162 1.452 -6.656 1.00 30.12 H new ATOM 0 HG22 ILE A 123 7.815 1.981 -8.320 1.00 30.12 H new ATOM 0 HG23 ILE A 123 6.755 2.492 -6.984 1.00 30.12 H new ATOM 0 HD11 ILE A 123 6.468 -0.711 -4.284 1.00 31.33 H new ATOM 0 HD12 ILE A 123 7.621 -1.157 -5.563 1.00 31.33 H new ATOM 0 HD13 ILE A 123 7.545 0.523 -4.980 1.00 31.33 H new ATOM 1918 N ASN A 124 6.727 0.780 -10.621 1.00 63.30 N ATOM 1919 CA ASN A 124 7.288 1.406 -11.820 1.00 33.51 C ATOM 1920 C ASN A 124 6.207 1.590 -12.892 1.00 0.30 C ATOM 1921 O ASN A 124 6.308 2.477 -13.738 1.00 33.50 O ATOM 1922 CB ASN A 124 8.489 0.619 -12.377 1.00 34.25 C ATOM 1923 CG ASN A 124 8.108 -0.699 -13.023 1.00 21.41 C ATOM 1924 OD1 ASN A 124 7.765 -0.745 -14.204 1.00 61.44 O ATOM 1925 ND2 ASN A 124 8.189 -1.782 -12.268 1.00 31.41 N ATOM 0 H ASN A 124 7.009 -0.188 -10.469 1.00 63.30 H new ATOM 0 HA ASN A 124 7.658 2.389 -11.529 1.00 33.51 H new ATOM 0 HB2 ASN A 124 9.008 1.236 -13.110 1.00 34.25 H new ATOM 0 HB3 ASN A 124 9.193 0.426 -11.567 1.00 34.25 H new ATOM 0 HD21 ASN A 124 7.963 -2.696 -12.661 1.00 31.41 H new ATOM 0 HD22 ASN A 124 8.477 -1.703 -11.293 1.00 31.41 H new ATOM 1932 N ASN A 125 5.168 0.754 -12.838 1.00 5.52 N ATOM 1933 CA ASN A 125 4.031 0.851 -13.765 1.00 54.40 C ATOM 1934 C ASN A 125 3.295 2.181 -13.587 1.00 62.13 C ATOM 1935 O ASN A 125 2.773 2.752 -14.546 1.00 42.01 O ATOM 1936 CB ASN A 125 3.048 -0.311 -13.531 1.00 72.31 C ATOM 1937 CG ASN A 125 1.810 -0.246 -14.418 1.00 31.44 C ATOM 1938 OD1 ASN A 125 1.876 0.155 -15.580 1.00 62.54 O ATOM 1939 ND2 ASN A 125 0.663 -0.629 -13.873 1.00 43.04 N ATOM 0 H ASN A 125 5.088 -0.003 -12.159 1.00 5.52 H new ATOM 0 HA ASN A 125 4.422 0.796 -14.781 1.00 54.40 H new ATOM 0 HB2 ASN A 125 3.564 -1.255 -13.709 1.00 72.31 H new ATOM 0 HB3 ASN A 125 2.738 -0.309 -12.486 1.00 72.31 H new ATOM 0 HD21 ASN A 125 -0.198 -0.596 -14.420 1.00 43.04 H new ATOM 0 HD22 ASN A 125 0.641 -0.956 -12.907 1.00 43.04 H new ATOM 1946 N ASN A 126 3.257 2.665 -12.350 1.00 64.15 N ATOM 1947 CA ASN A 126 2.522 3.888 -12.021 1.00 32.23 C ATOM 1948 C ASN A 126 3.425 5.120 -12.050 1.00 63.11 C ATOM 1949 O ASN A 126 2.995 6.198 -12.469 1.00 74.21 O ATOM 1950 CB ASN A 126 1.839 3.747 -10.653 1.00 25.32 C ATOM 1951 CG ASN A 126 0.613 2.847 -10.717 1.00 75.13 C ATOM 1952 OD1 ASN A 126 -0.496 3.314 -10.961 1.00 14.51 O ATOM 1953 ND2 ASN A 126 0.806 1.555 -10.502 1.00 13.50 N ATOM 0 H ASN A 126 3.726 2.231 -11.555 1.00 64.15 H new ATOM 0 HA ASN A 126 1.757 4.030 -12.785 1.00 32.23 H new ATOM 0 HB2 ASN A 126 2.550 3.341 -9.933 1.00 25.32 H new ATOM 0 HB3 ASN A 126 1.547 4.733 -10.291 1.00 25.32 H new ATOM 0 HD21 ASN A 126 0.017 0.909 -10.536 1.00 13.50 H new ATOM 0 HD22 ASN A 126 1.743 1.206 -10.302 1.00 13.50 H new ATOM 1960 N ILE A 127 4.669 4.969 -11.607 1.00 61.22 N ATOM 1961 CA ILE A 127 5.619 6.082 -11.611 1.00 62.40 C ATOM 1962 C ILE A 127 6.069 6.409 -13.036 1.00 4.04 C ATOM 1963 O ILE A 127 6.052 7.567 -13.452 1.00 44.52 O ATOM 1964 CB ILE A 127 6.866 5.781 -10.740 1.00 2.25 C ATOM 1965 CG1 ILE A 127 6.454 5.577 -9.274 1.00 64.14 C ATOM 1966 CG2 ILE A 127 7.899 6.904 -10.860 1.00 11.10 C ATOM 1967 CD1 ILE A 127 7.616 5.272 -8.356 1.00 34.22 C ATOM 0 H ILE A 127 5.044 4.093 -11.242 1.00 61.22 H new ATOM 0 HA ILE A 127 5.099 6.940 -11.186 1.00 62.40 H new ATOM 0 HB ILE A 127 7.326 4.862 -11.103 1.00 2.25 H new ATOM 0 HG12 ILE A 127 5.947 6.475 -8.919 1.00 64.14 H new ATOM 0 HG13 ILE A 127 5.733 4.761 -9.218 1.00 64.14 H new ATOM 0 HG21 ILE A 127 8.764 6.670 -10.240 1.00 11.10 H new ATOM 0 HG22 ILE A 127 8.213 7.000 -11.899 1.00 11.10 H new ATOM 0 HG23 ILE A 127 7.457 7.843 -10.526 1.00 11.10 H new ATOM 0 HD11 ILE A 127 7.250 5.140 -7.338 1.00 34.22 H new ATOM 0 HD12 ILE A 127 8.110 4.358 -8.685 1.00 34.22 H new ATOM 0 HD13 ILE A 127 8.327 6.098 -8.382 1.00 34.22 H new ATOM 1979 N ASN A 128 6.467 5.378 -13.775 1.00 62.51 N ATOM 1980 CA ASN A 128 6.981 5.548 -15.134 1.00 11.32 C ATOM 1981 C ASN A 128 5.824 5.652 -16.129 1.00 23.25 C ATOM 1982 O ASN A 128 5.410 4.609 -16.672 1.00 43.11 O ATOM 1983 CB ASN A 128 7.903 4.370 -15.518 1.00 63.13 C ATOM 1984 CG ASN A 128 9.216 4.327 -14.746 1.00 52.40 C ATOM 1985 OD1 ASN A 128 10.202 3.762 -15.220 1.00 52.34 O ATOM 1986 ND2 ASN A 128 9.253 4.922 -13.561 1.00 22.22 N ATOM 1987 OXT ASN A 128 5.334 6.776 -16.367 1.00 0.00 O ATOM 0 H ASN A 128 6.444 4.410 -13.455 1.00 62.51 H new ATOM 0 HA ASN A 128 7.562 6.470 -15.168 1.00 11.32 H new ATOM 0 HB2 ASN A 128 7.367 3.435 -15.354 1.00 63.13 H new ATOM 0 HB3 ASN A 128 8.123 4.428 -16.584 1.00 63.13 H new ATOM 0 HD21 ASN A 128 10.115 4.920 -13.016 1.00 22.22 H new ATOM 0 HD22 ASN A 128 8.419 5.382 -13.195 1.00 22.22 H new TER 1994 ASN A 128