USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 917 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 33 HIS : no HD1:sc= -1.36! C(o=2.3!,f=-13!) USER MOD Set 1.2: A 78 ASN : amide:sc= 2.42 K(o=2.3,f=-4.5) USER MOD Set 1.3: A 81 THR OG1 : rot -173:sc= 1.26 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.5!) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0893 (180deg=-0.103) USER MOD Single : A 3 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.31) USER MOD Single : A 5 SER OG : rot 51:sc= 0.0414 USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 0.0888 (180deg=-0.479) USER MOD Single : A 9 SER OG : rot -160:sc= -0.237 USER MOD Single : A 11 HIS : no HE2:sc= -1.5! C(o=-1.5!,f=-6!) USER MOD Single : A 16 SER OG : rot -150:sc= 0 USER MOD Single : A 17 TYR OH : rot -116:sc= 0.124 USER MOD Single : A 18 MET CE :methyl -130:sc= -0.286 (180deg=-0.968) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -91:sc= 1.27 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0945 X(o=-0.094,f=-0.31) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.00806 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= 0.823 (180deg=-1.55!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.619 USER MOD Single : A 48 GLN : amide:sc= -0.0569 K(o=-0.057,f=-0.65) USER MOD Single : A 50 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.00014) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 150:sc= -0.0351 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 139:sc= -2.6! (180deg=-5.91!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 148:sc= 0.13 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.907 K(o=0.91,f=-2.3!) USER MOD Single : A 73 SER OG : rot 180:sc= 0.713 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00873 USER MOD Single : A 76 GLN : amide:sc= -1.35 K(o=-1.4,f=-5.8!) USER MOD Single : A 80 SER OG : rot -79:sc= 0.34 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 101:sc= 1.76 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 161:sc= -0.573 (180deg=-0.968) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.00043) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-6.6e-06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.981 -5.007 5.532 1.00 51.22 N ATOM 2 CA MET A 1 28.763 -4.130 4.625 1.00 61.00 C ATOM 3 C MET A 1 27.850 -3.369 3.663 1.00 22.40 C ATOM 4 O MET A 1 28.330 -2.686 2.757 1.00 21.53 O ATOM 5 CB MET A 1 29.771 -4.957 3.816 1.00 4.34 C ATOM 6 CG MET A 1 29.123 -5.895 2.810 1.00 64.31 C ATOM 7 SD MET A 1 30.326 -6.755 1.779 1.00 74.43 S ATOM 8 CE MET A 1 29.236 -7.658 0.681 1.00 52.51 C ATOM 0 H1 MET A 1 28.631 -5.548 6.138 1.00 51.22 H new ATOM 0 H2 MET A 1 27.358 -4.424 6.126 1.00 51.22 H new ATOM 0 H3 MET A 1 27.406 -5.665 4.968 1.00 51.22 H new ATOM 0 HA MET A 1 29.295 -3.410 5.246 1.00 61.00 H new ATOM 0 HB2 MET A 1 30.443 -4.280 3.288 1.00 4.34 H new ATOM 0 HB3 MET A 1 30.383 -5.542 4.503 1.00 4.34 H new ATOM 0 HG2 MET A 1 28.517 -6.629 3.342 1.00 64.31 H new ATOM 0 HG3 MET A 1 28.447 -5.325 2.173 1.00 64.31 H new ATOM 0 HE1 MET A 1 29.830 -8.243 -0.021 1.00 52.51 H new ATOM 0 HE2 MET A 1 28.603 -8.326 1.265 1.00 52.51 H new ATOM 0 HE3 MET A 1 28.611 -6.955 0.130 1.00 52.51 H new ATOM 20 N ASN A 2 26.543 -3.479 3.863 1.00 20.42 N ATOM 21 CA ASN A 2 25.573 -2.859 2.966 1.00 50.41 C ATOM 22 C ASN A 2 24.682 -1.890 3.723 1.00 54.13 C ATOM 23 O ASN A 2 24.719 -1.825 4.954 1.00 11.22 O ATOM 24 CB ASN A 2 24.693 -3.923 2.294 1.00 1.31 C ATOM 25 CG ASN A 2 25.390 -4.664 1.167 1.00 24.21 C ATOM 26 OD1 ASN A 2 26.609 -4.839 1.174 1.00 35.32 O ATOM 27 ND2 ASN A 2 24.617 -5.107 0.188 1.00 54.21 N ATOM 0 H ASN A 2 26.128 -3.993 4.640 1.00 20.42 H new ATOM 0 HA ASN A 2 26.132 -2.317 2.203 1.00 50.41 H new ATOM 0 HB2 ASN A 2 24.370 -4.643 3.046 1.00 1.31 H new ATOM 0 HB3 ASN A 2 23.795 -3.445 1.903 1.00 1.31 H new ATOM 0 HD21 ASN A 2 25.027 -5.613 -0.597 1.00 54.21 H new ATOM 0 HD22 ASN A 2 23.611 -4.942 0.218 1.00 54.21 H new ATOM 34 N ASN A 3 23.894 -1.128 2.985 1.00 73.22 N ATOM 35 CA ASN A 3 22.871 -0.288 3.584 1.00 65.13 C ATOM 36 C ASN A 3 21.567 -1.076 3.642 1.00 54.43 C ATOM 37 O ASN A 3 21.276 -1.853 2.730 1.00 22.11 O ATOM 38 CB ASN A 3 22.687 0.987 2.747 1.00 63.30 C ATOM 39 CG ASN A 3 21.813 2.035 3.416 1.00 64.01 C ATOM 40 OD1 ASN A 3 20.593 2.050 3.250 1.00 53.35 O ATOM 41 ND2 ASN A 3 22.439 2.928 4.167 1.00 55.33 N ATOM 0 H ASN A 3 23.943 -1.073 1.968 1.00 73.22 H new ATOM 0 HA ASN A 3 23.168 0.003 4.592 1.00 65.13 H new ATOM 0 HB2 ASN A 3 23.666 1.420 2.541 1.00 63.30 H new ATOM 0 HB3 ASN A 3 22.248 0.720 1.786 1.00 63.30 H new ATOM 0 HD21 ASN A 3 21.908 3.664 4.634 1.00 55.33 H new ATOM 0 HD22 ASN A 3 23.452 2.880 4.279 1.00 55.33 H new ATOM 48 N PRO A 4 20.771 -0.915 4.711 1.00 75.00 N ATOM 49 CA PRO A 4 19.481 -1.597 4.841 1.00 14.43 C ATOM 50 C PRO A 4 18.441 -1.032 3.876 1.00 22.34 C ATOM 51 O PRO A 4 17.512 -0.339 4.285 1.00 43.53 O ATOM 52 CB PRO A 4 19.062 -1.334 6.297 1.00 71.04 C ATOM 53 CG PRO A 4 20.270 -0.764 6.967 1.00 73.12 C ATOM 54 CD PRO A 4 21.069 -0.093 5.890 1.00 42.01 C ATOM 0 HA PRO A 4 19.558 -2.658 4.603 1.00 14.43 H new ATOM 0 HB2 PRO A 4 18.223 -0.639 6.344 1.00 71.04 H new ATOM 0 HB3 PRO A 4 18.741 -2.254 6.785 1.00 71.04 H new ATOM 0 HG2 PRO A 4 19.986 -0.052 7.742 1.00 73.12 H new ATOM 0 HG3 PRO A 4 20.852 -1.548 7.452 1.00 73.12 H new ATOM 0 HD2 PRO A 4 20.767 0.945 5.748 1.00 42.01 H new ATOM 0 HD3 PRO A 4 22.134 -0.086 6.120 1.00 42.01 H new ATOM 62 N SER A 5 18.613 -1.322 2.593 1.00 13.43 N ATOM 63 CA SER A 5 17.715 -0.812 1.575 1.00 43.52 C ATOM 64 C SER A 5 17.604 -1.776 0.401 1.00 73.05 C ATOM 65 O SER A 5 18.536 -1.924 -0.389 1.00 42.15 O ATOM 66 CB SER A 5 18.196 0.557 1.078 1.00 52.01 C ATOM 67 OG SER A 5 17.317 1.097 0.099 1.00 50.24 O ATOM 0 H SER A 5 19.368 -1.908 2.236 1.00 13.43 H new ATOM 0 HA SER A 5 16.728 -0.706 2.026 1.00 43.52 H new ATOM 0 HB2 SER A 5 18.270 1.245 1.920 1.00 52.01 H new ATOM 0 HB3 SER A 5 19.196 0.461 0.656 1.00 52.01 H new ATOM 0 HG SER A 5 16.397 1.071 0.436 1.00 50.24 H new ATOM 73 N ASP A 6 16.467 -2.447 0.313 1.00 2.21 N ATOM 74 CA ASP A 6 16.117 -3.211 -0.878 1.00 4.14 C ATOM 75 C ASP A 6 14.953 -2.522 -1.562 1.00 11.30 C ATOM 76 O ASP A 6 14.458 -2.952 -2.608 1.00 52.25 O ATOM 77 CB ASP A 6 15.740 -4.650 -0.513 1.00 44.21 C ATOM 78 CG ASP A 6 15.878 -5.611 -1.681 1.00 41.02 C ATOM 79 OD1 ASP A 6 17.000 -6.109 -1.919 1.00 12.42 O ATOM 80 OD2 ASP A 6 14.865 -5.887 -2.358 1.00 74.41 O ATOM 0 H ASP A 6 15.767 -2.479 1.054 1.00 2.21 H new ATOM 0 HA ASP A 6 16.976 -3.255 -1.548 1.00 4.14 H new ATOM 0 HB2 ASP A 6 16.373 -4.989 0.307 1.00 44.21 H new ATOM 0 HB3 ASP A 6 14.712 -4.670 -0.152 1.00 44.21 H new ATOM 85 N PHE A 7 14.574 -1.399 -0.982 1.00 31.23 N ATOM 86 CA PHE A 7 13.408 -0.663 -1.415 1.00 31.41 C ATOM 87 C PHE A 7 13.740 0.503 -2.315 1.00 2.53 C ATOM 88 O PHE A 7 14.408 1.461 -1.929 1.00 70.42 O ATOM 89 CB PHE A 7 12.549 -0.219 -0.231 1.00 44.23 C ATOM 90 CG PHE A 7 13.261 -0.178 1.088 1.00 15.23 C ATOM 91 CD1 PHE A 7 13.978 0.935 1.493 1.00 74.11 C ATOM 92 CD2 PHE A 7 13.191 -1.272 1.935 1.00 53.23 C ATOM 93 CE1 PHE A 7 14.612 0.951 2.724 1.00 61.31 C ATOM 94 CE2 PHE A 7 13.815 -1.260 3.160 1.00 23.40 C ATOM 95 CZ PHE A 7 14.526 -0.152 3.557 1.00 74.12 C ATOM 0 H PHE A 7 15.068 -0.974 -0.197 1.00 31.23 H new ATOM 0 HA PHE A 7 12.823 -1.359 -2.016 1.00 31.41 H new ATOM 0 HB2 PHE A 7 12.150 0.773 -0.443 1.00 44.23 H new ATOM 0 HB3 PHE A 7 11.697 -0.894 -0.146 1.00 44.23 H new ATOM 0 HD1 PHE A 7 14.043 1.796 0.845 1.00 74.11 H new ATOM 0 HD2 PHE A 7 12.638 -2.147 1.628 1.00 53.23 H new ATOM 0 HE1 PHE A 7 15.172 1.821 3.034 1.00 61.31 H new ATOM 0 HE2 PHE A 7 13.747 -2.120 3.810 1.00 23.40 H new ATOM 0 HZ PHE A 7 15.017 -0.142 4.519 1.00 74.12 H new ATOM 105 N LYS A 8 13.251 0.378 -3.530 1.00 30.13 N ATOM 106 CA LYS A 8 13.384 1.387 -4.548 1.00 22.44 C ATOM 107 C LYS A 8 12.037 2.063 -4.735 1.00 70.35 C ATOM 108 O LYS A 8 11.940 3.199 -5.195 1.00 24.34 O ATOM 109 CB LYS A 8 13.811 0.704 -5.838 1.00 51.43 C ATOM 110 CG LYS A 8 14.837 -0.393 -5.610 1.00 75.34 C ATOM 111 CD LYS A 8 15.062 -1.225 -6.854 1.00 23.31 C ATOM 112 CE LYS A 8 15.753 -2.540 -6.524 1.00 12.21 C ATOM 113 NZ LYS A 8 14.907 -3.399 -5.650 1.00 14.41 N ATOM 0 H LYS A 8 12.739 -0.448 -3.840 1.00 30.13 H new ATOM 0 HA LYS A 8 14.125 2.135 -4.268 1.00 22.44 H new ATOM 0 HB2 LYS A 8 12.934 0.279 -6.327 1.00 51.43 H new ATOM 0 HB3 LYS A 8 14.226 1.448 -6.518 1.00 51.43 H new ATOM 0 HG2 LYS A 8 15.781 0.053 -5.296 1.00 75.34 H new ATOM 0 HG3 LYS A 8 14.503 -1.038 -4.797 1.00 75.34 H new ATOM 0 HD2 LYS A 8 14.106 -1.426 -7.337 1.00 23.31 H new ATOM 0 HD3 LYS A 8 15.667 -0.663 -7.565 1.00 23.31 H new ATOM 0 HE2 LYS A 8 15.982 -3.073 -7.447 1.00 12.21 H new ATOM 0 HE3 LYS A 8 16.702 -2.338 -6.028 1.00 12.21 H new ATOM 0 HZ1 LYS A 8 15.207 -4.390 -5.743 1.00 14.41 H new ATOM 0 HZ2 LYS A 8 15.011 -3.097 -4.660 1.00 14.41 H new ATOM 0 HZ3 LYS A 8 13.911 -3.311 -5.936 1.00 14.41 H new ATOM 127 N SER A 9 10.995 1.331 -4.369 1.00 3.23 N ATOM 128 CA SER A 9 9.626 1.801 -4.507 1.00 44.13 C ATOM 129 C SER A 9 8.824 1.483 -3.245 1.00 72.30 C ATOM 130 O SER A 9 9.315 0.793 -2.346 1.00 22.55 O ATOM 131 CB SER A 9 8.972 1.138 -5.720 1.00 21.23 C ATOM 132 OG SER A 9 9.821 1.195 -6.856 1.00 40.23 O ATOM 0 H SER A 9 11.075 0.396 -3.969 1.00 3.23 H new ATOM 0 HA SER A 9 9.638 2.882 -4.650 1.00 44.13 H new ATOM 0 HB2 SER A 9 8.739 0.099 -5.488 1.00 21.23 H new ATOM 0 HB3 SER A 9 8.027 1.634 -5.943 1.00 21.23 H new ATOM 0 HG SER A 9 9.289 1.066 -7.669 1.00 40.23 H new ATOM 138 N PHE A 10 7.583 1.968 -3.195 1.00 5.15 N ATOM 139 CA PHE A 10 6.709 1.766 -2.040 1.00 11.15 C ATOM 140 C PHE A 10 6.486 0.279 -1.753 1.00 20.22 C ATOM 141 O PHE A 10 6.474 -0.137 -0.597 1.00 10.12 O ATOM 142 CB PHE A 10 5.366 2.484 -2.258 1.00 24.12 C ATOM 143 CG PHE A 10 4.601 2.025 -3.471 1.00 65.13 C ATOM 144 CD1 PHE A 10 4.894 2.531 -4.727 1.00 72.23 C ATOM 145 CD2 PHE A 10 3.583 1.089 -3.351 1.00 54.31 C ATOM 146 CE1 PHE A 10 4.190 2.112 -5.840 1.00 74.40 C ATOM 147 CE2 PHE A 10 2.877 0.667 -4.461 1.00 34.11 C ATOM 148 CZ PHE A 10 3.181 1.178 -5.706 1.00 21.44 C ATOM 0 H PHE A 10 7.158 2.508 -3.949 1.00 5.15 H new ATOM 0 HA PHE A 10 7.202 2.196 -1.168 1.00 11.15 H new ATOM 0 HB2 PHE A 10 4.743 2.339 -1.375 1.00 24.12 H new ATOM 0 HB3 PHE A 10 5.551 3.555 -2.345 1.00 24.12 H new ATOM 0 HD1 PHE A 10 5.682 3.261 -4.838 1.00 72.23 H new ATOM 0 HD2 PHE A 10 3.340 0.686 -2.379 1.00 54.31 H new ATOM 0 HE1 PHE A 10 4.428 2.514 -6.813 1.00 74.40 H new ATOM 0 HE2 PHE A 10 2.088 -0.062 -4.354 1.00 34.11 H new ATOM 0 HZ PHE A 10 2.631 0.848 -6.575 1.00 21.44 H new ATOM 158 N HIS A 11 6.347 -0.518 -2.813 1.00 72.04 N ATOM 159 CA HIS A 11 6.128 -1.962 -2.681 1.00 42.42 C ATOM 160 C HIS A 11 7.236 -2.605 -1.859 1.00 33.21 C ATOM 161 O HIS A 11 6.989 -3.476 -1.024 1.00 10.13 O ATOM 162 CB HIS A 11 6.071 -2.614 -4.078 1.00 15.21 C ATOM 163 CG HIS A 11 6.440 -4.078 -4.098 1.00 51.43 C ATOM 164 ND1 HIS A 11 7.733 -4.526 -4.300 1.00 65.23 N ATOM 165 CD2 HIS A 11 5.687 -5.191 -3.935 1.00 44.31 C ATOM 166 CE1 HIS A 11 7.752 -5.843 -4.263 1.00 34.44 C ATOM 167 NE2 HIS A 11 6.525 -6.275 -4.040 1.00 71.54 N ATOM 0 H HIS A 11 6.382 -0.188 -3.777 1.00 72.04 H new ATOM 0 HA HIS A 11 5.180 -2.120 -2.167 1.00 42.42 H new ATOM 0 HB2 HIS A 11 5.063 -2.500 -4.478 1.00 15.21 H new ATOM 0 HB3 HIS A 11 6.742 -2.073 -4.746 1.00 15.21 H new ATOM 0 HD1 HIS A 11 8.546 -3.929 -4.454 1.00 65.23 H new ATOM 0 HD2 HIS A 11 4.622 -5.221 -3.755 1.00 44.31 H new ATOM 0 HE1 HIS A 11 8.625 -6.465 -4.393 1.00 34.44 H new ATOM 176 N ASP A 12 8.447 -2.158 -2.105 1.00 21.32 N ATOM 177 CA ASP A 12 9.625 -2.780 -1.540 1.00 45.33 C ATOM 178 C ASP A 12 9.737 -2.449 -0.061 1.00 71.13 C ATOM 179 O ASP A 12 10.056 -3.308 0.764 1.00 14.31 O ATOM 180 CB ASP A 12 10.869 -2.289 -2.270 1.00 41.14 C ATOM 181 CG ASP A 12 10.727 -2.259 -3.780 1.00 60.05 C ATOM 182 OD1 ASP A 12 9.949 -3.059 -4.350 1.00 12.14 O ATOM 183 OD2 ASP A 12 11.394 -1.417 -4.415 1.00 21.41 O ATOM 0 H ASP A 12 8.644 -1.354 -2.701 1.00 21.32 H new ATOM 0 HA ASP A 12 9.540 -3.861 -1.655 1.00 45.33 H new ATOM 0 HB2 ASP A 12 11.112 -1.286 -1.918 1.00 41.14 H new ATOM 0 HB3 ASP A 12 11.709 -2.932 -2.007 1.00 41.14 H new ATOM 188 N PHE A 13 9.463 -1.194 0.264 1.00 11.34 N ATOM 189 CA PHE A 13 9.537 -0.721 1.641 1.00 74.23 C ATOM 190 C PHE A 13 8.476 -1.408 2.498 1.00 61.54 C ATOM 191 O PHE A 13 8.747 -1.815 3.630 1.00 63.03 O ATOM 192 CB PHE A 13 9.352 0.795 1.688 1.00 72.04 C ATOM 193 CG PHE A 13 10.259 1.489 2.667 1.00 12.41 C ATOM 194 CD1 PHE A 13 10.629 0.876 3.852 1.00 0.45 C ATOM 195 CD2 PHE A 13 10.750 2.756 2.393 1.00 11.44 C ATOM 196 CE1 PHE A 13 11.466 1.511 4.746 1.00 64.43 C ATOM 197 CE2 PHE A 13 11.588 3.399 3.284 1.00 72.23 C ATOM 198 CZ PHE A 13 11.947 2.775 4.461 1.00 33.31 C ATOM 0 H PHE A 13 9.186 -0.481 -0.410 1.00 11.34 H new ATOM 0 HA PHE A 13 10.520 -0.968 2.041 1.00 74.23 H new ATOM 0 HB2 PHE A 13 9.527 1.204 0.693 1.00 72.04 H new ATOM 0 HB3 PHE A 13 8.317 1.017 1.946 1.00 72.04 H new ATOM 0 HD1 PHE A 13 10.257 -0.112 4.079 1.00 0.45 H new ATOM 0 HD2 PHE A 13 10.474 3.247 1.471 1.00 11.44 H new ATOM 0 HE1 PHE A 13 11.745 1.021 5.667 1.00 64.43 H new ATOM 0 HE2 PHE A 13 11.961 4.387 3.060 1.00 72.23 H new ATOM 0 HZ PHE A 13 12.603 3.274 5.159 1.00 33.31 H new ATOM 208 N VAL A 14 7.272 -1.546 1.946 1.00 64.11 N ATOM 209 CA VAL A 14 6.191 -2.241 2.635 1.00 63.00 C ATOM 210 C VAL A 14 6.586 -3.685 2.920 1.00 4.13 C ATOM 211 O VAL A 14 6.316 -4.215 4.000 1.00 72.45 O ATOM 212 CB VAL A 14 4.878 -2.218 1.812 1.00 52.11 C ATOM 213 CG1 VAL A 14 3.782 -3.006 2.515 1.00 61.30 C ATOM 214 CG2 VAL A 14 4.423 -0.788 1.563 1.00 60.45 C ATOM 0 H VAL A 14 7.022 -1.186 1.025 1.00 64.11 H new ATOM 0 HA VAL A 14 6.015 -1.716 3.574 1.00 63.00 H new ATOM 0 HB VAL A 14 5.078 -2.691 0.850 1.00 52.11 H new ATOM 0 HG11 VAL A 14 2.871 -2.975 1.917 1.00 61.30 H new ATOM 0 HG12 VAL A 14 4.100 -4.041 2.638 1.00 61.30 H new ATOM 0 HG13 VAL A 14 3.589 -2.567 3.494 1.00 61.30 H new ATOM 0 HG21 VAL A 14 3.500 -0.796 0.984 1.00 60.45 H new ATOM 0 HG22 VAL A 14 4.249 -0.290 2.517 1.00 60.45 H new ATOM 0 HG23 VAL A 14 5.194 -0.252 1.010 1.00 60.45 H new ATOM 224 N ALA A 15 7.253 -4.301 1.952 1.00 2.42 N ATOM 225 CA ALA A 15 7.694 -5.681 2.084 1.00 34.41 C ATOM 226 C ALA A 15 8.700 -5.836 3.223 1.00 34.10 C ATOM 227 O ALA A 15 8.656 -6.817 3.958 1.00 34.03 O ATOM 228 CB ALA A 15 8.294 -6.173 0.775 1.00 21.32 C ATOM 0 H ALA A 15 7.500 -3.864 1.064 1.00 2.42 H new ATOM 0 HA ALA A 15 6.822 -6.290 2.323 1.00 34.41 H new ATOM 0 HB1 ALA A 15 8.619 -7.207 0.890 1.00 21.32 H new ATOM 0 HB2 ALA A 15 7.544 -6.114 -0.014 1.00 21.32 H new ATOM 0 HB3 ALA A 15 9.149 -5.551 0.510 1.00 21.32 H new ATOM 234 N SER A 16 9.598 -4.860 3.371 1.00 33.32 N ATOM 235 CA SER A 16 10.612 -4.898 4.426 1.00 54.13 C ATOM 236 C SER A 16 9.951 -5.012 5.804 1.00 2.11 C ATOM 237 O SER A 16 10.391 -5.788 6.654 1.00 75.22 O ATOM 238 CB SER A 16 11.512 -3.650 4.356 1.00 32.31 C ATOM 239 OG SER A 16 12.568 -3.722 5.301 1.00 73.53 O ATOM 0 H SER A 16 9.644 -4.034 2.774 1.00 33.32 H new ATOM 0 HA SER A 16 11.236 -5.779 4.272 1.00 54.13 H new ATOM 0 HB2 SER A 16 11.926 -3.553 3.352 1.00 32.31 H new ATOM 0 HB3 SER A 16 10.915 -2.757 4.542 1.00 32.31 H new ATOM 0 HG SER A 16 12.816 -2.817 5.584 1.00 73.53 H new ATOM 245 N TYR A 17 8.880 -4.256 6.003 1.00 70.12 N ATOM 246 CA TYR A 17 8.148 -4.276 7.264 1.00 72.10 C ATOM 247 C TYR A 17 7.275 -5.524 7.364 1.00 24.11 C ATOM 248 O TYR A 17 7.243 -6.198 8.398 1.00 35.42 O ATOM 249 CB TYR A 17 7.291 -3.012 7.386 1.00 32.11 C ATOM 250 CG TYR A 17 6.389 -2.977 8.602 1.00 62.13 C ATOM 251 CD1 TYR A 17 6.901 -2.729 9.870 1.00 13.51 C ATOM 252 CD2 TYR A 17 5.021 -3.189 8.479 1.00 73.41 C ATOM 253 CE1 TYR A 17 6.075 -2.695 10.978 1.00 71.33 C ATOM 254 CE2 TYR A 17 4.192 -3.155 9.582 1.00 22.32 C ATOM 255 CZ TYR A 17 4.722 -2.908 10.828 1.00 41.40 C ATOM 256 OH TYR A 17 3.895 -2.873 11.929 1.00 71.32 O ATOM 0 H TYR A 17 8.497 -3.619 5.305 1.00 70.12 H new ATOM 0 HA TYR A 17 8.865 -4.300 8.084 1.00 72.10 H new ATOM 0 HB2 TYR A 17 7.949 -2.144 7.413 1.00 32.11 H new ATOM 0 HB3 TYR A 17 6.676 -2.918 6.491 1.00 32.11 H new ATOM 0 HD1 TYR A 17 7.961 -2.560 9.992 1.00 13.51 H new ATOM 0 HD2 TYR A 17 4.599 -3.384 7.504 1.00 73.41 H new ATOM 0 HE1 TYR A 17 6.488 -2.502 11.957 1.00 71.33 H new ATOM 0 HE2 TYR A 17 3.131 -3.322 9.468 1.00 22.32 H new ATOM 0 HH TYR A 17 3.492 -3.756 12.064 1.00 71.32 H new ATOM 266 N MET A 18 6.586 -5.839 6.276 1.00 45.21 N ATOM 267 CA MET A 18 5.641 -6.949 6.256 1.00 11.14 C ATOM 268 C MET A 18 6.342 -8.293 6.467 1.00 13.55 C ATOM 269 O MET A 18 5.738 -9.226 6.990 1.00 41.32 O ATOM 270 CB MET A 18 4.835 -6.943 4.956 1.00 55.15 C ATOM 271 CG MET A 18 3.682 -7.938 4.943 1.00 35.23 C ATOM 272 SD MET A 18 2.533 -7.660 3.579 1.00 4.41 S ATOM 273 CE MET A 18 1.902 -6.031 3.987 1.00 72.14 C ATOM 0 H MET A 18 6.664 -5.339 5.390 1.00 45.21 H new ATOM 0 HA MET A 18 4.950 -6.814 7.088 1.00 11.14 H new ATOM 0 HB2 MET A 18 4.440 -5.941 4.789 1.00 55.15 H new ATOM 0 HB3 MET A 18 5.503 -7.165 4.124 1.00 55.15 H new ATOM 0 HG2 MET A 18 4.082 -8.950 4.875 1.00 35.23 H new ATOM 0 HG3 MET A 18 3.141 -7.872 5.887 1.00 35.23 H new ATOM 0 HE1 MET A 18 0.813 -6.044 3.952 1.00 72.14 H new ATOM 0 HE2 MET A 18 2.230 -5.754 4.989 1.00 72.14 H new ATOM 0 HE3 MET A 18 2.280 -5.304 3.268 1.00 72.14 H new ATOM 283 N LYS A 19 7.612 -8.391 6.059 1.00 22.44 N ATOM 284 CA LYS A 19 8.409 -9.598 6.311 1.00 61.31 C ATOM 285 C LYS A 19 8.300 -10.029 7.771 1.00 24.42 C ATOM 286 O LYS A 19 7.930 -11.161 8.070 1.00 53.22 O ATOM 287 CB LYS A 19 9.887 -9.372 5.973 1.00 11.42 C ATOM 288 CG LYS A 19 10.197 -9.333 4.486 1.00 21.30 C ATOM 289 CD LYS A 19 11.687 -9.133 4.251 1.00 25.52 C ATOM 290 CE LYS A 19 12.025 -9.068 2.771 1.00 71.50 C ATOM 291 NZ LYS A 19 13.483 -8.878 2.548 1.00 45.22 N ATOM 0 H LYS A 19 8.108 -7.655 5.556 1.00 22.44 H new ATOM 0 HA LYS A 19 8.010 -10.382 5.667 1.00 61.31 H new ATOM 0 HB2 LYS A 19 10.210 -8.433 6.423 1.00 11.42 H new ATOM 0 HB3 LYS A 19 10.477 -10.165 6.433 1.00 11.42 H new ATOM 0 HG2 LYS A 19 9.872 -10.262 4.017 1.00 21.30 H new ATOM 0 HG3 LYS A 19 9.638 -8.525 4.014 1.00 21.30 H new ATOM 0 HD2 LYS A 19 12.011 -8.213 4.738 1.00 25.52 H new ATOM 0 HD3 LYS A 19 12.240 -9.950 4.714 1.00 25.52 H new ATOM 0 HE2 LYS A 19 11.699 -9.986 2.282 1.00 71.50 H new ATOM 0 HE3 LYS A 19 11.476 -8.248 2.308 1.00 71.50 H new ATOM 0 HZ1 LYS A 19 13.676 -8.838 1.527 1.00 45.22 H new ATOM 0 HZ2 LYS A 19 13.789 -7.989 2.993 1.00 45.22 H new ATOM 0 HZ3 LYS A 19 14.005 -9.673 2.968 1.00 45.22 H new ATOM 305 N THR A 20 8.608 -9.112 8.676 1.00 44.12 N ATOM 306 CA THR A 20 8.559 -9.396 10.101 1.00 3.11 C ATOM 307 C THR A 20 7.115 -9.409 10.601 1.00 35.12 C ATOM 308 O THR A 20 6.757 -10.164 11.508 1.00 73.35 O ATOM 309 CB THR A 20 9.360 -8.340 10.891 1.00 52.22 C ATOM 310 OG1 THR A 20 10.626 -8.118 10.258 1.00 61.52 O ATOM 311 CG2 THR A 20 9.585 -8.781 12.328 1.00 25.11 C ATOM 0 H THR A 20 8.896 -8.161 8.446 1.00 44.12 H new ATOM 0 HA THR A 20 9.002 -10.379 10.260 1.00 3.11 H new ATOM 0 HB THR A 20 8.782 -7.416 10.900 1.00 52.22 H new ATOM 0 HG1 THR A 20 11.130 -7.446 10.762 1.00 61.52 H new ATOM 0 HG21 THR A 20 10.152 -8.016 12.859 1.00 25.11 H new ATOM 0 HG22 THR A 20 8.623 -8.926 12.819 1.00 25.11 H new ATOM 0 HG23 THR A 20 10.142 -9.718 12.338 1.00 25.11 H new ATOM 319 N TYR A 21 6.285 -8.591 9.972 1.00 62.24 N ATOM 320 CA TYR A 21 4.911 -8.390 10.413 1.00 21.32 C ATOM 321 C TYR A 21 4.014 -9.567 10.025 1.00 73.23 C ATOM 322 O TYR A 21 2.897 -9.695 10.525 1.00 43.01 O ATOM 323 CB TYR A 21 4.378 -7.087 9.815 1.00 43.41 C ATOM 324 CG TYR A 21 3.105 -6.591 10.456 1.00 24.43 C ATOM 325 CD1 TYR A 21 3.060 -6.302 11.813 1.00 13.11 C ATOM 326 CD2 TYR A 21 1.953 -6.410 9.706 1.00 12.44 C ATOM 327 CE1 TYR A 21 1.902 -5.846 12.405 1.00 4.33 C ATOM 328 CE2 TYR A 21 0.789 -5.950 10.288 1.00 41.00 C ATOM 329 CZ TYR A 21 0.768 -5.670 11.641 1.00 33.31 C ATOM 330 OH TYR A 21 -0.386 -5.208 12.233 1.00 1.53 O ATOM 0 H TYR A 21 6.542 -8.050 9.146 1.00 62.24 H new ATOM 0 HA TYR A 21 4.902 -8.326 11.501 1.00 21.32 H new ATOM 0 HB2 TYR A 21 5.144 -6.317 9.909 1.00 43.41 H new ATOM 0 HB3 TYR A 21 4.202 -7.234 8.749 1.00 43.41 H new ATOM 0 HD1 TYR A 21 3.947 -6.437 12.415 1.00 13.11 H new ATOM 0 HD2 TYR A 21 1.967 -6.633 8.649 1.00 12.44 H new ATOM 0 HE1 TYR A 21 1.883 -5.628 13.463 1.00 4.33 H new ATOM 0 HE2 TYR A 21 -0.099 -5.810 9.690 1.00 41.00 H new ATOM 0 HH TYR A 21 -1.094 -5.138 11.559 1.00 1.53 H new ATOM 340 N SER A 22 4.517 -10.435 9.151 1.00 44.23 N ATOM 341 CA SER A 22 3.762 -11.600 8.692 1.00 65.23 C ATOM 342 C SER A 22 3.456 -12.550 9.847 1.00 23.15 C ATOM 343 O SER A 22 2.568 -13.395 9.747 1.00 3.43 O ATOM 344 CB SER A 22 4.542 -12.336 7.603 1.00 60.13 C ATOM 345 OG SER A 22 5.821 -12.728 8.074 1.00 1.45 O ATOM 0 H SER A 22 5.449 -10.354 8.744 1.00 44.23 H new ATOM 0 HA SER A 22 2.815 -11.248 8.282 1.00 65.23 H new ATOM 0 HB2 SER A 22 3.984 -13.215 7.281 1.00 60.13 H new ATOM 0 HB3 SER A 22 4.653 -11.692 6.731 1.00 60.13 H new ATOM 0 HG SER A 22 6.474 -12.025 7.872 1.00 1.45 H new ATOM 351 N ARG A 23 4.197 -12.407 10.942 1.00 20.42 N ATOM 352 CA ARG A 23 3.955 -13.196 12.143 1.00 73.42 C ATOM 353 C ARG A 23 2.556 -12.935 12.690 1.00 54.32 C ATOM 354 O ARG A 23 1.947 -13.806 13.307 1.00 45.00 O ATOM 355 CB ARG A 23 4.991 -12.853 13.213 1.00 4.35 C ATOM 356 CG ARG A 23 6.410 -13.251 12.851 1.00 12.44 C ATOM 357 CD ARG A 23 7.397 -12.777 13.904 1.00 4.32 C ATOM 358 NE ARG A 23 7.378 -11.322 14.037 1.00 23.24 N ATOM 359 CZ ARG A 23 7.607 -10.667 15.176 1.00 3.20 C ATOM 360 NH1 ARG A 23 7.873 -11.329 16.297 1.00 3.23 N ATOM 361 NH2 ARG A 23 7.558 -9.343 15.193 1.00 21.22 N ATOM 0 H ARG A 23 4.973 -11.749 11.021 1.00 20.42 H new ATOM 0 HA ARG A 23 4.038 -14.250 11.879 1.00 73.42 H new ATOM 0 HB2 ARG A 23 4.963 -11.780 13.400 1.00 4.35 H new ATOM 0 HB3 ARG A 23 4.713 -13.346 14.144 1.00 4.35 H new ATOM 0 HG2 ARG A 23 6.473 -14.335 12.751 1.00 12.44 H new ATOM 0 HG3 ARG A 23 6.674 -12.826 11.883 1.00 12.44 H new ATOM 0 HD2 ARG A 23 7.155 -13.235 14.863 1.00 4.32 H new ATOM 0 HD3 ARG A 23 8.401 -13.106 13.638 1.00 4.32 H new ATOM 0 HE ARG A 23 7.176 -10.770 13.203 1.00 23.24 H new ATOM 0 HH11 ARG A 23 7.904 -12.349 16.292 1.00 3.23 H new ATOM 0 HH12 ARG A 23 8.047 -10.818 17.162 1.00 3.23 H new ATOM 0 HH21 ARG A 23 7.346 -8.829 14.338 1.00 21.22 H new ATOM 0 HH22 ARG A 23 7.732 -8.837 16.061 1.00 21.22 H new ATOM 375 N ARG A 24 2.050 -11.731 12.447 1.00 64.44 N ATOM 376 CA ARG A 24 0.748 -11.330 12.962 1.00 62.34 C ATOM 377 C ARG A 24 -0.296 -11.339 11.857 1.00 42.35 C ATOM 378 O ARG A 24 -1.420 -10.871 12.043 1.00 10.12 O ATOM 379 CB ARG A 24 0.834 -9.938 13.585 1.00 53.12 C ATOM 380 CG ARG A 24 1.874 -9.837 14.687 1.00 14.31 C ATOM 381 CD ARG A 24 1.839 -8.482 15.366 1.00 4.13 C ATOM 382 NE ARG A 24 0.553 -8.235 16.016 1.00 62.02 N ATOM 383 CZ ARG A 24 0.329 -8.421 17.314 1.00 22.33 C ATOM 384 NH1 ARG A 24 1.277 -8.927 18.091 1.00 25.03 N ATOM 385 NH2 ARG A 24 -0.854 -8.118 17.830 1.00 62.21 N ATOM 0 H ARG A 24 2.523 -11.015 11.896 1.00 64.44 H new ATOM 0 HA ARG A 24 0.448 -12.046 13.727 1.00 62.34 H new ATOM 0 HB2 ARG A 24 1.068 -9.213 12.806 1.00 53.12 H new ATOM 0 HB3 ARG A 24 -0.141 -9.667 13.989 1.00 53.12 H new ATOM 0 HG2 ARG A 24 1.699 -10.619 15.426 1.00 14.31 H new ATOM 0 HG3 ARG A 24 2.866 -10.009 14.269 1.00 14.31 H new ATOM 0 HD2 ARG A 24 2.637 -8.425 16.106 1.00 4.13 H new ATOM 0 HD3 ARG A 24 2.030 -7.701 14.630 1.00 4.13 H new ATOM 0 HE ARG A 24 -0.219 -7.900 15.440 1.00 62.02 H new ATOM 0 HH11 ARG A 24 2.183 -9.176 17.694 1.00 25.03 H new ATOM 0 HH12 ARG A 24 1.100 -9.068 19.086 1.00 25.03 H new ATOM 0 HH21 ARG A 24 -1.590 -7.743 17.232 1.00 62.21 H new ATOM 0 HH22 ARG A 24 -1.028 -8.260 18.825 1.00 62.21 H new ATOM 399 N LEU A 25 0.075 -11.884 10.709 1.00 73.12 N ATOM 400 CA LEU A 25 -0.820 -11.942 9.567 1.00 54.23 C ATOM 401 C LEU A 25 -1.161 -13.382 9.236 1.00 63.41 C ATOM 402 O LEU A 25 -0.269 -14.214 9.060 1.00 31.13 O ATOM 403 CB LEU A 25 -0.183 -11.275 8.344 1.00 52.41 C ATOM 404 CG LEU A 25 -0.848 -9.976 7.881 1.00 54.12 C ATOM 405 CD1 LEU A 25 -0.929 -8.967 9.016 1.00 44.21 C ATOM 406 CD2 LEU A 25 -0.090 -9.390 6.701 1.00 30.24 C ATOM 0 H LEU A 25 0.994 -12.294 10.545 1.00 73.12 H new ATOM 0 HA LEU A 25 -1.733 -11.406 9.827 1.00 54.23 H new ATOM 0 HB2 LEU A 25 0.863 -11.067 8.569 1.00 52.41 H new ATOM 0 HB3 LEU A 25 -0.196 -11.985 7.517 1.00 52.41 H new ATOM 0 HG LEU A 25 -1.865 -10.208 7.566 1.00 54.12 H new ATOM 0 HD11 LEU A 25 -1.406 -8.054 8.658 1.00 44.21 H new ATOM 0 HD12 LEU A 25 -1.515 -9.386 9.834 1.00 44.21 H new ATOM 0 HD13 LEU A 25 0.076 -8.737 9.370 1.00 44.21 H new ATOM 0 HD21 LEU A 25 -0.573 -8.467 6.381 1.00 30.24 H new ATOM 0 HD22 LEU A 25 0.937 -9.179 6.997 1.00 30.24 H new ATOM 0 HD23 LEU A 25 -0.091 -10.104 5.877 1.00 30.24 H new ATOM 418 N GLU A 26 -2.450 -13.681 9.177 1.00 12.24 N ATOM 419 CA GLU A 26 -2.908 -14.979 8.743 1.00 1.51 C ATOM 420 C GLU A 26 -2.456 -15.222 7.310 1.00 33.22 C ATOM 421 O GLU A 26 -2.269 -14.278 6.538 1.00 44.11 O ATOM 422 CB GLU A 26 -4.429 -15.021 8.839 1.00 43.05 C ATOM 423 CG GLU A 26 -5.001 -16.365 9.232 1.00 3.25 C ATOM 424 CD GLU A 26 -4.811 -17.427 8.172 1.00 52.34 C ATOM 425 OE1 GLU A 26 -5.521 -17.384 7.148 1.00 44.23 O ATOM 426 OE2 GLU A 26 -3.927 -18.293 8.346 1.00 20.33 O ATOM 0 H GLU A 26 -3.197 -13.033 9.427 1.00 12.24 H new ATOM 0 HA GLU A 26 -2.488 -15.760 9.377 1.00 1.51 H new ATOM 0 HB2 GLU A 26 -4.754 -14.277 9.566 1.00 43.05 H new ATOM 0 HB3 GLU A 26 -4.848 -14.731 7.876 1.00 43.05 H new ATOM 0 HG2 GLU A 26 -4.530 -16.696 10.157 1.00 3.25 H new ATOM 0 HG3 GLU A 26 -6.065 -16.253 9.438 1.00 3.25 H new ATOM 433 N ILE A 27 -2.287 -16.479 6.956 1.00 22.44 N ATOM 434 CA ILE A 27 -1.825 -16.836 5.628 1.00 1.45 C ATOM 435 C ILE A 27 -2.828 -16.370 4.578 1.00 24.13 C ATOM 436 O ILE A 27 -2.446 -15.925 3.501 1.00 53.45 O ATOM 437 CB ILE A 27 -1.601 -18.359 5.496 1.00 14.45 C ATOM 438 CG1 ILE A 27 -0.641 -18.855 6.584 1.00 35.33 C ATOM 439 CG2 ILE A 27 -1.064 -18.702 4.113 1.00 23.01 C ATOM 440 CD1 ILE A 27 0.729 -18.217 6.523 1.00 43.44 C ATOM 0 H ILE A 27 -2.463 -17.274 7.571 1.00 22.44 H new ATOM 0 HA ILE A 27 -0.870 -16.337 5.465 1.00 1.45 H new ATOM 0 HB ILE A 27 -2.559 -18.861 5.626 1.00 14.45 H new ATOM 0 HG12 ILE A 27 -1.081 -18.658 7.562 1.00 35.33 H new ATOM 0 HG13 ILE A 27 -0.533 -19.936 6.495 1.00 35.33 H new ATOM 0 HG21 ILE A 27 -0.912 -19.779 4.038 1.00 23.01 H new ATOM 0 HG22 ILE A 27 -1.780 -18.383 3.355 1.00 23.01 H new ATOM 0 HG23 ILE A 27 -0.115 -18.190 3.954 1.00 23.01 H new ATOM 0 HD11 ILE A 27 1.352 -18.617 7.323 1.00 43.44 H new ATOM 0 HD12 ILE A 27 1.190 -18.436 5.560 1.00 43.44 H new ATOM 0 HD13 ILE A 27 0.633 -17.138 6.643 1.00 43.44 H new ATOM 452 N GLY A 28 -4.110 -16.444 4.920 1.00 61.31 N ATOM 453 CA GLY A 28 -5.159 -16.028 4.007 1.00 31.31 C ATOM 454 C GLY A 28 -5.004 -14.594 3.537 1.00 43.14 C ATOM 455 O GLY A 28 -4.951 -14.339 2.333 1.00 1.20 O ATOM 0 H GLY A 28 -4.443 -16.788 5.821 1.00 61.31 H new ATOM 0 HA2 GLY A 28 -5.162 -16.690 3.141 1.00 31.31 H new ATOM 0 HA3 GLY A 28 -6.126 -16.141 4.498 1.00 31.31 H new ATOM 459 N THR A 29 -4.918 -13.652 4.474 1.00 53.41 N ATOM 460 CA THR A 29 -4.818 -12.239 4.119 1.00 1.35 C ATOM 461 C THR A 29 -3.520 -11.955 3.357 1.00 22.03 C ATOM 462 O THR A 29 -3.522 -11.221 2.365 1.00 11.22 O ATOM 463 CB THR A 29 -4.931 -11.312 5.359 1.00 15.14 C ATOM 464 OG1 THR A 29 -4.874 -9.937 4.957 1.00 44.15 O ATOM 465 CG2 THR A 29 -3.835 -11.587 6.378 1.00 44.23 C ATOM 0 H THR A 29 -4.916 -13.840 5.477 1.00 53.41 H new ATOM 0 HA THR A 29 -5.663 -12.018 3.467 1.00 1.35 H new ATOM 0 HB THR A 29 -5.891 -11.521 5.831 1.00 15.14 H new ATOM 0 HG1 THR A 29 -4.948 -9.362 5.747 1.00 44.15 H new ATOM 0 HG21 THR A 29 -3.953 -10.916 7.229 1.00 44.23 H new ATOM 0 HG22 THR A 29 -3.905 -12.620 6.718 1.00 44.23 H new ATOM 0 HG23 THR A 29 -2.861 -11.422 5.918 1.00 44.23 H new ATOM 473 N PHE A 30 -2.426 -12.564 3.805 1.00 51.22 N ATOM 474 CA PHE A 30 -1.132 -12.404 3.154 1.00 31.03 C ATOM 475 C PHE A 30 -1.177 -12.936 1.721 1.00 31.51 C ATOM 476 O PHE A 30 -0.683 -12.304 0.791 1.00 42.10 O ATOM 477 CB PHE A 30 -0.056 -13.144 3.959 1.00 23.33 C ATOM 478 CG PHE A 30 1.349 -12.881 3.495 1.00 20.15 C ATOM 479 CD1 PHE A 30 1.960 -11.664 3.747 1.00 11.53 C ATOM 480 CD2 PHE A 30 2.059 -13.854 2.811 1.00 33.41 C ATOM 481 CE1 PHE A 30 3.255 -11.423 3.327 1.00 62.52 C ATOM 482 CE2 PHE A 30 3.354 -13.618 2.388 1.00 54.24 C ATOM 483 CZ PHE A 30 3.952 -12.400 2.645 1.00 43.25 C ATOM 0 H PHE A 30 -2.412 -13.176 4.621 1.00 51.22 H new ATOM 0 HA PHE A 30 -0.888 -11.342 3.115 1.00 31.03 H new ATOM 0 HB2 PHE A 30 -0.140 -12.857 5.007 1.00 23.33 H new ATOM 0 HB3 PHE A 30 -0.250 -14.215 3.905 1.00 23.33 H new ATOM 0 HD1 PHE A 30 1.419 -10.895 4.278 1.00 11.53 H new ATOM 0 HD2 PHE A 30 1.596 -14.808 2.606 1.00 33.41 H new ATOM 0 HE1 PHE A 30 3.721 -10.471 3.532 1.00 62.52 H new ATOM 0 HE2 PHE A 30 3.897 -14.386 1.857 1.00 54.24 H new ATOM 0 HZ PHE A 30 4.962 -12.212 2.313 1.00 43.25 H new ATOM 493 N ARG A 31 -1.802 -14.093 1.557 1.00 44.31 N ATOM 494 CA ARG A 31 -1.840 -14.791 0.280 1.00 35.04 C ATOM 495 C ARG A 31 -2.768 -14.097 -0.720 1.00 70.53 C ATOM 496 O ARG A 31 -2.507 -14.116 -1.928 1.00 44.44 O ATOM 497 CB ARG A 31 -2.304 -16.224 0.520 1.00 42.45 C ATOM 498 CG ARG A 31 -1.883 -17.216 -0.546 1.00 34.32 C ATOM 499 CD ARG A 31 -2.323 -18.620 -0.170 1.00 21.45 C ATOM 500 NE ARG A 31 -1.925 -19.622 -1.157 1.00 54.13 N ATOM 501 CZ ARG A 31 -2.309 -20.898 -1.108 1.00 11.11 C ATOM 502 NH1 ARG A 31 -3.106 -21.321 -0.134 1.00 34.22 N ATOM 503 NH2 ARG A 31 -1.901 -21.753 -2.035 1.00 31.24 N ATOM 0 H ARG A 31 -2.298 -14.575 2.307 1.00 44.31 H new ATOM 0 HA ARG A 31 -0.839 -14.783 -0.151 1.00 35.04 H new ATOM 0 HB2 ARG A 31 -1.917 -16.560 1.482 1.00 42.45 H new ATOM 0 HB3 ARG A 31 -3.391 -16.231 0.594 1.00 42.45 H new ATOM 0 HG2 ARG A 31 -2.320 -16.936 -1.504 1.00 34.32 H new ATOM 0 HG3 ARG A 31 -0.800 -17.189 -0.669 1.00 34.32 H new ATOM 0 HD2 ARG A 31 -1.897 -18.882 0.799 1.00 21.45 H new ATOM 0 HD3 ARG A 31 -3.407 -18.638 -0.057 1.00 21.45 H new ATOM 0 HE ARG A 31 -1.321 -19.329 -1.925 1.00 54.13 H new ATOM 0 HH11 ARG A 31 -3.427 -20.669 0.581 1.00 34.22 H new ATOM 0 HH12 ARG A 31 -3.397 -22.298 -0.101 1.00 34.22 H new ATOM 0 HH21 ARG A 31 -1.291 -21.436 -2.789 1.00 31.24 H new ATOM 0 HH22 ARG A 31 -2.197 -22.728 -1.995 1.00 31.24 H new ATOM 517 N HIS A 32 -3.842 -13.485 -0.210 1.00 64.54 N ATOM 518 CA HIS A 32 -4.844 -12.821 -1.057 1.00 41.42 C ATOM 519 C HIS A 32 -4.203 -11.849 -2.039 1.00 0.13 C ATOM 520 O HIS A 32 -4.559 -11.812 -3.217 1.00 21.14 O ATOM 521 CB HIS A 32 -5.869 -12.052 -0.213 1.00 13.34 C ATOM 522 CG HIS A 32 -6.898 -12.904 0.464 1.00 4.25 C ATOM 523 ND1 HIS A 32 -7.155 -14.211 0.118 1.00 75.12 N ATOM 524 CD2 HIS A 32 -7.745 -12.612 1.478 1.00 3.42 C ATOM 525 CE1 HIS A 32 -8.115 -14.686 0.887 1.00 71.53 C ATOM 526 NE2 HIS A 32 -8.492 -13.736 1.722 1.00 11.02 N ATOM 0 H HIS A 32 -4.042 -13.435 0.789 1.00 64.54 H new ATOM 0 HA HIS A 32 -5.345 -13.614 -1.612 1.00 41.42 H new ATOM 0 HB2 HIS A 32 -5.336 -11.480 0.546 1.00 13.34 H new ATOM 0 HB3 HIS A 32 -6.379 -11.333 -0.854 1.00 13.34 H new ATOM 0 HD2 HIS A 32 -7.819 -11.669 1.999 1.00 3.42 H new ATOM 0 HE1 HIS A 32 -8.524 -15.685 0.841 1.00 71.53 H new ATOM 0 HE2 HIS A 32 -9.219 -13.823 2.432 1.00 11.02 H new ATOM 535 N HIS A 33 -3.256 -11.063 -1.552 1.00 14.30 N ATOM 536 CA HIS A 33 -2.650 -10.016 -2.360 1.00 33.50 C ATOM 537 C HIS A 33 -1.147 -10.252 -2.493 1.00 31.22 C ATOM 538 O HIS A 33 -0.387 -9.347 -2.844 1.00 55.32 O ATOM 539 CB HIS A 33 -2.938 -8.655 -1.715 1.00 63.32 C ATOM 540 CG HIS A 33 -2.737 -7.491 -2.633 1.00 25.53 C ATOM 541 ND1 HIS A 33 -2.010 -6.375 -2.287 1.00 75.42 N ATOM 542 CD2 HIS A 33 -3.184 -7.268 -3.891 1.00 15.44 C ATOM 543 CE1 HIS A 33 -2.014 -5.521 -3.290 1.00 42.12 C ATOM 544 NE2 HIS A 33 -2.717 -6.038 -4.275 1.00 41.13 N ATOM 0 H HIS A 33 -2.890 -11.130 -0.602 1.00 14.30 H new ATOM 0 HA HIS A 33 -3.078 -10.031 -3.362 1.00 33.50 H new ATOM 0 HB2 HIS A 33 -3.966 -8.646 -1.354 1.00 63.32 H new ATOM 0 HB3 HIS A 33 -2.293 -8.533 -0.845 1.00 63.32 H new ATOM 0 HD2 HIS A 33 -3.795 -7.935 -4.482 1.00 15.44 H new ATOM 0 HE1 HIS A 33 -1.523 -4.559 -3.302 1.00 42.12 H new ATOM 0 HE2 HIS A 33 -2.887 -5.595 -5.178 1.00 41.13 H new ATOM 553 N LYS A 34 -0.750 -11.493 -2.247 1.00 13.40 N ATOM 554 CA LYS A 34 0.658 -11.887 -2.203 1.00 32.34 C ATOM 555 C LYS A 34 1.350 -11.650 -3.543 1.00 33.42 C ATOM 556 O LYS A 34 2.204 -10.769 -3.669 1.00 71.40 O ATOM 557 CB LYS A 34 0.749 -13.368 -1.821 1.00 61.24 C ATOM 558 CG LYS A 34 1.993 -13.753 -1.032 1.00 64.34 C ATOM 559 CD LYS A 34 3.255 -13.744 -1.877 1.00 73.50 C ATOM 560 CE LYS A 34 4.452 -14.215 -1.066 1.00 50.32 C ATOM 561 NZ LYS A 34 5.702 -14.258 -1.873 1.00 24.34 N ATOM 0 H LYS A 34 -1.397 -12.262 -2.071 1.00 13.40 H new ATOM 0 HA LYS A 34 1.167 -11.274 -1.459 1.00 32.34 H new ATOM 0 HB2 LYS A 34 -0.131 -13.631 -1.234 1.00 61.24 H new ATOM 0 HB3 LYS A 34 0.715 -13.966 -2.732 1.00 61.24 H new ATOM 0 HG2 LYS A 34 2.116 -13.063 -0.197 1.00 64.34 H new ATOM 0 HG3 LYS A 34 1.854 -14.747 -0.606 1.00 64.34 H new ATOM 0 HD2 LYS A 34 3.121 -14.390 -2.745 1.00 73.50 H new ATOM 0 HD3 LYS A 34 3.439 -12.738 -2.254 1.00 73.50 H new ATOM 0 HE2 LYS A 34 4.595 -13.550 -0.214 1.00 50.32 H new ATOM 0 HE3 LYS A 34 4.248 -15.207 -0.664 1.00 50.32 H new ATOM 0 HZ1 LYS A 34 6.489 -14.585 -1.277 1.00 24.34 H new ATOM 0 HZ2 LYS A 34 5.577 -14.913 -2.671 1.00 24.34 H new ATOM 0 HZ3 LYS A 34 5.914 -13.307 -2.235 1.00 24.34 H new ATOM 575 N SER A 35 0.970 -12.435 -4.540 1.00 62.41 N ATOM 576 CA SER A 35 1.605 -12.377 -5.850 1.00 74.34 C ATOM 577 C SER A 35 1.315 -11.047 -6.541 1.00 32.53 C ATOM 578 O SER A 35 2.170 -10.497 -7.237 1.00 1.14 O ATOM 579 CB SER A 35 1.104 -13.534 -6.709 1.00 34.21 C ATOM 580 OG SER A 35 1.107 -14.744 -5.969 1.00 14.33 O ATOM 0 H SER A 35 0.221 -13.124 -4.467 1.00 62.41 H new ATOM 0 HA SER A 35 2.684 -12.460 -5.718 1.00 74.34 H new ATOM 0 HB2 SER A 35 0.095 -13.321 -7.063 1.00 34.21 H new ATOM 0 HB3 SER A 35 1.736 -13.639 -7.591 1.00 34.21 H new ATOM 0 HG SER A 35 0.781 -15.475 -6.535 1.00 14.33 H new ATOM 586 N CYS A 36 0.110 -10.539 -6.316 1.00 44.22 N ATOM 587 CA CYS A 36 -0.351 -9.306 -6.939 1.00 40.02 C ATOM 588 C CYS A 36 0.600 -8.148 -6.673 1.00 4.25 C ATOM 589 O CYS A 36 1.058 -7.487 -7.600 1.00 14.32 O ATOM 590 CB CYS A 36 -1.731 -8.949 -6.400 1.00 12.40 C ATOM 591 SG CYS A 36 -2.994 -10.201 -6.704 1.00 5.01 S ATOM 0 H CYS A 36 -0.575 -10.971 -5.696 1.00 44.22 H new ATOM 0 HA CYS A 36 -0.391 -9.473 -8.015 1.00 40.02 H new ATOM 0 HB2 CYS A 36 -1.656 -8.779 -5.326 1.00 12.40 H new ATOM 0 HB3 CYS A 36 -2.052 -8.009 -6.850 1.00 12.40 H new ATOM 0 HG CYS A 36 -4.127 -9.804 -6.206 1.00 5.01 H new ATOM 597 N MET A 37 0.889 -7.918 -5.397 1.00 32.12 N ATOM 598 CA MET A 37 1.730 -6.798 -4.975 1.00 24.41 C ATOM 599 C MET A 37 3.081 -6.815 -5.692 1.00 72.45 C ATOM 600 O MET A 37 3.608 -5.770 -6.071 1.00 70.22 O ATOM 601 CB MET A 37 1.950 -6.848 -3.460 1.00 20.10 C ATOM 602 CG MET A 37 1.615 -5.547 -2.741 1.00 21.52 C ATOM 603 SD MET A 37 2.622 -4.156 -3.291 1.00 12.02 S ATOM 604 CE MET A 37 1.925 -2.827 -2.314 1.00 20.42 C ATOM 0 H MET A 37 0.551 -8.497 -4.628 1.00 32.12 H new ATOM 0 HA MET A 37 1.214 -5.875 -5.239 1.00 24.41 H new ATOM 0 HB2 MET A 37 1.341 -7.649 -3.041 1.00 20.10 H new ATOM 0 HB3 MET A 37 2.991 -7.102 -3.263 1.00 20.10 H new ATOM 0 HG2 MET A 37 0.563 -5.311 -2.900 1.00 21.52 H new ATOM 0 HG3 MET A 37 1.752 -5.686 -1.669 1.00 21.52 H new ATOM 0 HE1 MET A 37 2.445 -1.896 -2.542 1.00 20.42 H new ATOM 0 HE2 MET A 37 0.866 -2.719 -2.550 1.00 20.42 H new ATOM 0 HE3 MET A 37 2.039 -3.056 -1.254 1.00 20.42 H new ATOM 614 N ARG A 38 3.631 -8.007 -5.887 1.00 51.30 N ATOM 615 CA ARG A 38 4.935 -8.149 -6.523 1.00 3.41 C ATOM 616 C ARG A 38 4.827 -7.953 -8.027 1.00 70.53 C ATOM 617 O ARG A 38 5.553 -7.153 -8.617 1.00 2.11 O ATOM 618 CB ARG A 38 5.506 -9.534 -6.241 1.00 60.11 C ATOM 619 CG ARG A 38 6.983 -9.659 -6.575 1.00 23.11 C ATOM 620 CD ARG A 38 7.488 -11.072 -6.345 1.00 71.01 C ATOM 621 NE ARG A 38 8.899 -11.217 -6.700 1.00 44.31 N ATOM 622 CZ ARG A 38 9.667 -12.223 -6.283 1.00 14.43 C ATOM 623 NH1 ARG A 38 9.171 -13.145 -5.466 1.00 24.05 N ATOM 624 NH2 ARG A 38 10.936 -12.300 -6.667 1.00 3.34 N ATOM 0 H ARG A 38 3.195 -8.888 -5.614 1.00 51.30 H new ATOM 0 HA ARG A 38 5.596 -7.386 -6.112 1.00 3.41 H new ATOM 0 HB2 ARG A 38 5.358 -9.772 -5.188 1.00 60.11 H new ATOM 0 HB3 ARG A 38 4.948 -10.273 -6.816 1.00 60.11 H new ATOM 0 HG2 ARG A 38 7.147 -9.378 -7.615 1.00 23.11 H new ATOM 0 HG3 ARG A 38 7.556 -8.963 -5.963 1.00 23.11 H new ATOM 0 HD2 ARG A 38 7.349 -11.340 -5.298 1.00 71.01 H new ATOM 0 HD3 ARG A 38 6.893 -11.770 -6.934 1.00 71.01 H new ATOM 0 HE ARG A 38 9.319 -10.508 -7.301 1.00 44.31 H new ATOM 0 HH11 ARG A 38 8.201 -13.084 -5.157 1.00 24.05 H new ATOM 0 HH12 ARG A 38 9.760 -13.914 -5.148 1.00 24.05 H new ATOM 0 HH21 ARG A 38 11.326 -11.587 -7.284 1.00 3.34 H new ATOM 0 HH22 ARG A 38 11.520 -13.072 -6.345 1.00 3.34 H new ATOM 638 N LYS A 39 3.902 -8.687 -8.622 1.00 71.50 N ATOM 639 CA LYS A 39 3.703 -8.698 -10.053 1.00 32.13 C ATOM 640 C LYS A 39 3.328 -7.307 -10.565 1.00 72.15 C ATOM 641 O LYS A 39 3.752 -6.895 -11.644 1.00 75.53 O ATOM 642 CB LYS A 39 2.601 -9.723 -10.356 1.00 22.35 C ATOM 643 CG LYS A 39 2.533 -10.189 -11.796 1.00 2.20 C ATOM 644 CD LYS A 39 2.011 -9.109 -12.716 1.00 63.44 C ATOM 645 CE LYS A 39 0.594 -8.693 -12.356 1.00 63.02 C ATOM 646 NZ LYS A 39 0.087 -7.627 -13.257 1.00 41.03 N ATOM 0 H LYS A 39 3.262 -9.298 -8.114 1.00 71.50 H new ATOM 0 HA LYS A 39 4.624 -8.977 -10.564 1.00 32.13 H new ATOM 0 HB2 LYS A 39 2.750 -10.593 -9.716 1.00 22.35 H new ATOM 0 HB3 LYS A 39 1.639 -9.289 -10.085 1.00 22.35 H new ATOM 0 HG2 LYS A 39 3.526 -10.497 -12.125 1.00 2.20 H new ATOM 0 HG3 LYS A 39 1.889 -11.066 -11.863 1.00 2.20 H new ATOM 0 HD2 LYS A 39 2.668 -8.241 -12.666 1.00 63.44 H new ATOM 0 HD3 LYS A 39 2.034 -9.467 -13.745 1.00 63.44 H new ATOM 0 HE2 LYS A 39 -0.065 -9.560 -12.412 1.00 63.02 H new ATOM 0 HE3 LYS A 39 0.570 -8.340 -11.325 1.00 63.02 H new ATOM 0 HZ1 LYS A 39 -0.882 -7.370 -12.980 1.00 41.03 H new ATOM 0 HZ2 LYS A 39 0.701 -6.791 -13.185 1.00 41.03 H new ATOM 0 HZ3 LYS A 39 0.086 -7.973 -14.238 1.00 41.03 H new ATOM 660 N PHE A 40 2.549 -6.583 -9.773 1.00 12.10 N ATOM 661 CA PHE A 40 2.020 -5.287 -10.179 1.00 13.11 C ATOM 662 C PHE A 40 3.125 -4.243 -10.327 1.00 55.03 C ATOM 663 O PHE A 40 2.933 -3.215 -10.983 1.00 72.14 O ATOM 664 CB PHE A 40 0.983 -4.813 -9.160 1.00 41.24 C ATOM 665 CG PHE A 40 0.167 -3.640 -9.620 1.00 41.13 C ATOM 666 CD1 PHE A 40 -0.820 -3.804 -10.576 1.00 64.25 C ATOM 667 CD2 PHE A 40 0.386 -2.376 -9.093 1.00 24.03 C ATOM 668 CE1 PHE A 40 -1.576 -2.730 -11.002 1.00 25.43 C ATOM 669 CE2 PHE A 40 -0.366 -1.299 -9.516 1.00 62.35 C ATOM 670 CZ PHE A 40 -1.347 -1.475 -10.471 1.00 50.23 C ATOM 0 H PHE A 40 2.267 -6.874 -8.837 1.00 12.10 H new ATOM 0 HA PHE A 40 1.550 -5.407 -11.155 1.00 13.11 H new ATOM 0 HB2 PHE A 40 0.312 -5.640 -8.928 1.00 41.24 H new ATOM 0 HB3 PHE A 40 1.493 -4.547 -8.234 1.00 41.24 H new ATOM 0 HD1 PHE A 40 -1.001 -4.783 -10.994 1.00 64.25 H new ATOM 0 HD2 PHE A 40 1.152 -2.233 -8.345 1.00 24.03 H new ATOM 0 HE1 PHE A 40 -2.344 -2.870 -11.748 1.00 25.43 H new ATOM 0 HE2 PHE A 40 -0.187 -0.319 -9.100 1.00 62.35 H new ATOM 0 HZ PHE A 40 -1.935 -0.632 -10.803 1.00 50.23 H new ATOM 680 N LYS A 41 4.283 -4.503 -9.735 1.00 52.52 N ATOM 681 CA LYS A 41 5.377 -3.552 -9.776 1.00 73.43 C ATOM 682 C LYS A 41 6.046 -3.565 -11.144 1.00 63.22 C ATOM 683 O LYS A 41 7.052 -4.245 -11.363 1.00 3.12 O ATOM 684 CB LYS A 41 6.415 -3.824 -8.686 1.00 14.34 C ATOM 685 CG LYS A 41 7.488 -2.748 -8.632 1.00 63.23 C ATOM 686 CD LYS A 41 8.631 -3.111 -7.704 1.00 3.11 C ATOM 687 CE LYS A 41 9.681 -2.015 -7.696 1.00 42.51 C ATOM 688 NZ LYS A 41 10.835 -2.352 -6.831 1.00 11.20 N ATOM 0 H LYS A 41 4.485 -5.362 -9.223 1.00 52.52 H new ATOM 0 HA LYS A 41 4.951 -2.566 -9.592 1.00 73.43 H new ATOM 0 HB2 LYS A 41 5.916 -3.886 -7.719 1.00 14.34 H new ATOM 0 HB3 LYS A 41 6.883 -4.792 -8.866 1.00 14.34 H new ATOM 0 HG2 LYS A 41 7.879 -2.579 -9.635 1.00 63.23 H new ATOM 0 HG3 LYS A 41 7.041 -1.810 -8.302 1.00 63.23 H new ATOM 0 HD2 LYS A 41 8.251 -3.266 -6.694 1.00 3.11 H new ATOM 0 HD3 LYS A 41 9.081 -4.051 -8.023 1.00 3.11 H new ATOM 0 HE2 LYS A 41 10.030 -1.842 -8.714 1.00 42.51 H new ATOM 0 HE3 LYS A 41 9.230 -1.085 -7.351 1.00 42.51 H new ATOM 0 HZ1 LYS A 41 11.076 -1.532 -6.238 1.00 11.20 H new ATOM 0 HZ2 LYS A 41 10.589 -3.159 -6.223 1.00 11.20 H new ATOM 0 HZ3 LYS A 41 11.652 -2.602 -7.424 1.00 11.20 H new ATOM 702 N GLU A 42 5.446 -2.837 -12.065 1.00 33.33 N ATOM 703 CA GLU A 42 6.010 -2.637 -13.393 1.00 20.23 C ATOM 704 C GLU A 42 7.157 -1.627 -13.351 1.00 5.24 C ATOM 705 O GLU A 42 7.783 -1.345 -14.373 1.00 51.41 O ATOM 706 CB GLU A 42 4.927 -2.155 -14.358 1.00 40.04 C ATOM 707 CG GLU A 42 3.774 -3.131 -14.521 1.00 42.43 C ATOM 708 CD GLU A 42 4.217 -4.470 -15.073 1.00 12.00 C ATOM 709 OE1 GLU A 42 4.439 -4.570 -16.297 1.00 61.04 O ATOM 710 OE2 GLU A 42 4.350 -5.429 -14.287 1.00 42.53 O ATOM 0 H GLU A 42 4.553 -2.366 -11.918 1.00 33.33 H new ATOM 0 HA GLU A 42 6.403 -3.591 -13.743 1.00 20.23 H new ATOM 0 HB2 GLU A 42 4.536 -1.201 -14.004 1.00 40.04 H new ATOM 0 HB3 GLU A 42 5.377 -1.973 -15.334 1.00 40.04 H new ATOM 0 HG2 GLU A 42 3.292 -3.282 -13.555 1.00 42.43 H new ATOM 0 HG3 GLU A 42 3.027 -2.697 -15.186 1.00 42.43 H new ATOM 717 N TYR A 43 7.393 -1.067 -12.159 1.00 41.44 N ATOM 718 CA TYR A 43 8.498 -0.136 -11.917 1.00 74.53 C ATOM 719 C TYR A 43 8.291 1.172 -12.687 1.00 52.54 C ATOM 720 O TYR A 43 9.236 1.916 -12.941 1.00 42.33 O ATOM 721 CB TYR A 43 9.837 -0.785 -12.299 1.00 44.23 C ATOM 722 CG TYR A 43 11.044 -0.172 -11.617 1.00 53.43 C ATOM 723 CD1 TYR A 43 11.219 -0.293 -10.244 1.00 0.10 C ATOM 724 CD2 TYR A 43 12.017 0.510 -12.342 1.00 65.02 C ATOM 725 CE1 TYR A 43 12.323 0.245 -9.613 1.00 64.52 C ATOM 726 CE2 TYR A 43 13.124 1.056 -11.715 1.00 22.14 C ATOM 727 CZ TYR A 43 13.272 0.918 -10.349 1.00 43.24 C ATOM 728 OH TYR A 43 14.381 1.442 -9.718 1.00 20.54 O ATOM 0 H TYR A 43 6.821 -1.248 -11.334 1.00 41.44 H new ATOM 0 HA TYR A 43 8.519 0.101 -10.853 1.00 74.53 H new ATOM 0 HB2 TYR A 43 9.796 -1.846 -12.054 1.00 44.23 H new ATOM 0 HB3 TYR A 43 9.968 -0.712 -13.379 1.00 44.23 H new ATOM 0 HD1 TYR A 43 10.478 -0.818 -9.659 1.00 0.10 H new ATOM 0 HD2 TYR A 43 11.907 0.615 -13.411 1.00 65.02 H new ATOM 0 HE1 TYR A 43 12.442 0.138 -8.545 1.00 64.52 H new ATOM 0 HE2 TYR A 43 13.868 1.587 -12.291 1.00 22.14 H new ATOM 0 HH TYR A 43 14.954 1.885 -10.378 1.00 20.54 H new ATOM 738 N CYS A 44 7.039 1.452 -13.035 1.00 22.01 N ATOM 739 CA CYS A 44 6.697 2.679 -13.742 1.00 44.22 C ATOM 740 C CYS A 44 6.919 3.902 -12.855 1.00 22.30 C ATOM 741 O CYS A 44 7.274 4.975 -13.340 1.00 53.10 O ATOM 742 CB CYS A 44 5.239 2.633 -14.206 1.00 14.14 C ATOM 743 SG CYS A 44 4.838 1.205 -15.239 1.00 12.31 S ATOM 0 H CYS A 44 6.244 0.844 -12.838 1.00 22.01 H new ATOM 0 HA CYS A 44 7.349 2.760 -14.612 1.00 44.22 H new ATOM 0 HB2 CYS A 44 4.590 2.628 -13.330 1.00 14.14 H new ATOM 0 HB3 CYS A 44 5.017 3.544 -14.762 1.00 14.14 H new ATOM 0 HG CYS A 44 3.584 1.254 -15.579 1.00 12.31 H new ATOM 749 N GLU A 45 6.726 3.732 -11.554 1.00 62.32 N ATOM 750 CA GLU A 45 6.850 4.841 -10.625 1.00 13.24 C ATOM 751 C GLU A 45 7.444 4.369 -9.302 1.00 71.54 C ATOM 752 O GLU A 45 7.113 3.285 -8.811 1.00 24.31 O ATOM 753 CB GLU A 45 5.482 5.489 -10.398 1.00 34.02 C ATOM 754 CG GLU A 45 5.555 6.816 -9.664 1.00 12.24 C ATOM 755 CD GLU A 45 6.487 7.792 -10.348 1.00 74.32 C ATOM 756 OE1 GLU A 45 6.046 8.486 -11.285 1.00 61.34 O ATOM 757 OE2 GLU A 45 7.674 7.850 -9.962 1.00 41.44 O ATOM 0 H GLU A 45 6.484 2.840 -11.122 1.00 62.32 H new ATOM 0 HA GLU A 45 7.523 5.583 -11.054 1.00 13.24 H new ATOM 0 HB2 GLU A 45 4.997 5.642 -11.362 1.00 34.02 H new ATOM 0 HB3 GLU A 45 4.853 4.803 -9.830 1.00 34.02 H new ATOM 0 HG2 GLU A 45 4.557 7.251 -9.601 1.00 12.24 H new ATOM 0 HG3 GLU A 45 5.894 6.647 -8.642 1.00 12.24 H new ATOM 764 N GLY A 46 8.326 5.183 -8.742 1.00 2.32 N ATOM 765 CA GLY A 46 8.943 4.872 -7.471 1.00 21.25 C ATOM 766 C GLY A 46 8.930 6.068 -6.547 1.00 32.12 C ATOM 767 O GLY A 46 9.977 6.523 -6.085 1.00 64.03 O ATOM 0 H GLY A 46 8.628 6.066 -9.153 1.00 2.32 H new ATOM 0 HA2 GLY A 46 8.415 4.042 -7.002 1.00 21.25 H new ATOM 0 HA3 GLY A 46 9.970 4.546 -7.633 1.00 21.25 H new ATOM 771 N LEU A 47 7.738 6.587 -6.295 1.00 13.53 N ATOM 772 CA LEU A 47 7.566 7.753 -5.436 1.00 13.22 C ATOM 773 C LEU A 47 7.881 7.425 -3.976 1.00 52.24 C ATOM 774 O LEU A 47 7.918 6.255 -3.584 1.00 2.25 O ATOM 775 CB LEU A 47 6.149 8.355 -5.604 1.00 14.12 C ATOM 776 CG LEU A 47 4.938 7.585 -5.019 1.00 4.04 C ATOM 777 CD1 LEU A 47 4.944 6.112 -5.408 1.00 60.31 C ATOM 778 CD2 LEU A 47 4.829 7.741 -3.509 1.00 43.34 C ATOM 0 H LEU A 47 6.867 6.217 -6.676 1.00 13.53 H new ATOM 0 HA LEU A 47 8.283 8.512 -5.748 1.00 13.22 H new ATOM 0 HB2 LEU A 47 6.157 9.348 -5.155 1.00 14.12 H new ATOM 0 HB3 LEU A 47 5.971 8.489 -6.671 1.00 14.12 H new ATOM 0 HG LEU A 47 4.053 8.040 -5.464 1.00 4.04 H new ATOM 0 HD11 LEU A 47 4.075 5.617 -4.973 1.00 60.31 H new ATOM 0 HD12 LEU A 47 4.907 6.022 -6.494 1.00 60.31 H new ATOM 0 HD13 LEU A 47 5.854 5.641 -5.036 1.00 60.31 H new ATOM 0 HD21 LEU A 47 3.965 7.183 -3.147 1.00 43.34 H new ATOM 0 HD22 LEU A 47 5.733 7.356 -3.037 1.00 43.34 H new ATOM 0 HD23 LEU A 47 4.710 8.795 -3.260 1.00 43.34 H new ATOM 790 N GLN A 48 8.095 8.465 -3.180 1.00 22.24 N ATOM 791 CA GLN A 48 8.500 8.302 -1.797 1.00 11.30 C ATOM 792 C GLN A 48 7.321 8.528 -0.858 1.00 3.33 C ATOM 793 O GLN A 48 6.322 9.131 -1.239 1.00 32.21 O ATOM 794 CB GLN A 48 9.631 9.273 -1.474 1.00 32.31 C ATOM 795 CG GLN A 48 10.879 9.053 -2.314 1.00 30.21 C ATOM 796 CD GLN A 48 11.497 7.686 -2.090 1.00 2.42 C ATOM 797 OE1 GLN A 48 11.422 7.128 -0.994 1.00 11.25 O ATOM 798 NE2 GLN A 48 12.102 7.131 -3.129 1.00 5.25 N ATOM 0 H GLN A 48 7.993 9.436 -3.475 1.00 22.24 H new ATOM 0 HA GLN A 48 8.854 7.281 -1.654 1.00 11.30 H new ATOM 0 HB2 GLN A 48 9.277 10.293 -1.624 1.00 32.31 H new ATOM 0 HB3 GLN A 48 9.891 9.178 -0.420 1.00 32.31 H new ATOM 0 HG2 GLN A 48 10.628 9.166 -3.369 1.00 30.21 H new ATOM 0 HG3 GLN A 48 11.613 9.823 -2.077 1.00 30.21 H new ATOM 0 HE21 GLN A 48 12.142 7.626 -4.020 1.00 5.25 H new ATOM 0 HE22 GLN A 48 12.527 6.208 -3.038 1.00 5.25 H new ATOM 807 N PHE A 49 7.466 8.090 0.383 1.00 45.12 N ATOM 808 CA PHE A 49 6.339 8.027 1.312 1.00 52.31 C ATOM 809 C PHE A 49 5.924 9.397 1.833 1.00 1.42 C ATOM 810 O PHE A 49 4.808 9.567 2.314 1.00 30.24 O ATOM 811 CB PHE A 49 6.656 7.087 2.473 1.00 60.12 C ATOM 812 CG PHE A 49 6.504 5.640 2.107 1.00 34.20 C ATOM 813 CD1 PHE A 49 5.282 5.002 2.252 1.00 54.41 C ATOM 814 CD2 PHE A 49 7.573 4.921 1.599 1.00 32.41 C ATOM 815 CE1 PHE A 49 5.130 3.674 1.903 1.00 14.41 C ATOM 816 CE2 PHE A 49 7.428 3.592 1.249 1.00 54.21 C ATOM 817 CZ PHE A 49 6.205 2.968 1.400 1.00 44.21 C ATOM 0 H PHE A 49 8.353 7.772 0.774 1.00 45.12 H new ATOM 0 HA PHE A 49 5.491 7.634 0.751 1.00 52.31 H new ATOM 0 HB2 PHE A 49 7.676 7.266 2.812 1.00 60.12 H new ATOM 0 HB3 PHE A 49 5.997 7.316 3.311 1.00 60.12 H new ATOM 0 HD1 PHE A 49 4.438 5.550 2.643 1.00 54.41 H new ATOM 0 HD2 PHE A 49 8.531 5.404 1.475 1.00 32.41 H new ATOM 0 HE1 PHE A 49 4.173 3.189 2.023 1.00 14.41 H new ATOM 0 HE2 PHE A 49 8.271 3.041 0.858 1.00 54.21 H new ATOM 0 HZ PHE A 49 6.090 1.930 1.125 1.00 44.21 H new ATOM 827 N HIS A 50 6.801 10.381 1.737 1.00 63.43 N ATOM 828 CA HIS A 50 6.434 11.732 2.138 1.00 4.33 C ATOM 829 C HIS A 50 5.584 12.376 1.044 1.00 32.23 C ATOM 830 O HIS A 50 4.881 13.358 1.284 1.00 70.32 O ATOM 831 CB HIS A 50 7.673 12.582 2.425 1.00 32.30 C ATOM 832 CG HIS A 50 7.361 13.879 3.109 1.00 41.10 C ATOM 833 ND1 HIS A 50 7.268 15.079 2.445 1.00 23.25 N ATOM 834 CD2 HIS A 50 7.118 14.153 4.411 1.00 61.13 C ATOM 835 CE1 HIS A 50 6.984 16.036 3.306 1.00 10.25 C ATOM 836 NE2 HIS A 50 6.887 15.500 4.507 1.00 45.14 N ATOM 0 H HIS A 50 7.755 10.276 1.392 1.00 63.43 H new ATOM 0 HA HIS A 50 5.854 11.675 3.059 1.00 4.33 H new ATOM 0 HB2 HIS A 50 8.362 12.009 3.046 1.00 32.30 H new ATOM 0 HB3 HIS A 50 8.187 12.789 1.487 1.00 32.30 H new ATOM 0 HD2 HIS A 50 7.108 13.442 5.224 1.00 61.13 H new ATOM 0 HE1 HIS A 50 6.853 17.081 3.068 1.00 10.25 H new ATOM 0 HE2 HIS A 50 6.675 16.006 5.367 1.00 45.14 H new ATOM 845 N GLU A 51 5.647 11.798 -0.152 1.00 60.24 N ATOM 846 CA GLU A 51 4.863 12.274 -1.284 1.00 4.31 C ATOM 847 C GLU A 51 3.533 11.532 -1.337 1.00 72.32 C ATOM 848 O GLU A 51 2.641 11.873 -2.119 1.00 71.33 O ATOM 849 CB GLU A 51 5.631 12.052 -2.590 1.00 71.31 C ATOM 850 CG GLU A 51 7.082 12.500 -2.526 1.00 74.31 C ATOM 851 CD GLU A 51 7.797 12.352 -3.852 1.00 73.31 C ATOM 852 OE1 GLU A 51 7.882 11.216 -4.366 1.00 21.34 O ATOM 853 OE2 GLU A 51 8.287 13.373 -4.387 1.00 73.30 O ATOM 0 H GLU A 51 6.238 10.993 -0.362 1.00 60.24 H new ATOM 0 HA GLU A 51 4.677 13.341 -1.161 1.00 4.31 H new ATOM 0 HB2 GLU A 51 5.597 10.993 -2.846 1.00 71.31 H new ATOM 0 HB3 GLU A 51 5.128 12.590 -3.393 1.00 71.31 H new ATOM 0 HG2 GLU A 51 7.123 13.542 -2.210 1.00 74.31 H new ATOM 0 HG3 GLU A 51 7.605 11.917 -1.768 1.00 74.31 H new ATOM 860 N LEU A 52 3.416 10.516 -0.488 1.00 41.23 N ATOM 861 CA LEU A 52 2.224 9.687 -0.416 1.00 31.14 C ATOM 862 C LEU A 52 1.106 10.467 0.277 1.00 62.11 C ATOM 863 O LEU A 52 0.985 10.458 1.501 1.00 71.40 O ATOM 864 CB LEU A 52 2.557 8.385 0.340 1.00 64.45 C ATOM 865 CG LEU A 52 1.636 7.184 0.091 1.00 1.12 C ATOM 866 CD1 LEU A 52 0.288 7.371 0.767 1.00 72.31 C ATOM 867 CD2 LEU A 52 1.463 6.948 -1.402 1.00 64.20 C ATOM 0 H LEU A 52 4.148 10.246 0.169 1.00 41.23 H new ATOM 0 HA LEU A 52 1.883 9.423 -1.417 1.00 31.14 H new ATOM 0 HB2 LEU A 52 3.574 8.092 0.080 1.00 64.45 H new ATOM 0 HB3 LEU A 52 2.551 8.602 1.408 1.00 64.45 H new ATOM 0 HG LEU A 52 2.105 6.303 0.530 1.00 1.12 H new ATOM 0 HD11 LEU A 52 -0.341 6.503 0.571 1.00 72.31 H new ATOM 0 HD12 LEU A 52 0.432 7.480 1.842 1.00 72.31 H new ATOM 0 HD13 LEU A 52 -0.195 8.265 0.374 1.00 72.31 H new ATOM 0 HD21 LEU A 52 0.807 6.092 -1.561 1.00 64.20 H new ATOM 0 HD22 LEU A 52 1.023 7.833 -1.862 1.00 64.20 H new ATOM 0 HD23 LEU A 52 2.435 6.749 -1.854 1.00 64.20 H new ATOM 879 N THR A 53 0.312 11.171 -0.517 1.00 51.20 N ATOM 880 CA THR A 53 -0.720 12.049 0.010 1.00 14.41 C ATOM 881 C THR A 53 -2.083 11.737 -0.598 1.00 3.32 C ATOM 882 O THR A 53 -2.193 10.898 -1.498 1.00 5.50 O ATOM 883 CB THR A 53 -0.367 13.518 -0.278 1.00 71.12 C ATOM 884 OG1 THR A 53 -0.009 13.661 -1.660 1.00 12.24 O ATOM 885 CG2 THR A 53 0.781 13.989 0.605 1.00 63.35 C ATOM 0 H THR A 53 0.365 11.150 -1.535 1.00 51.20 H new ATOM 0 HA THR A 53 -0.772 11.883 1.086 1.00 14.41 H new ATOM 0 HB THR A 53 -1.239 14.134 -0.057 1.00 71.12 H new ATOM 0 HG1 THR A 53 0.215 14.597 -1.845 1.00 12.24 H new ATOM 0 HG21 THR A 53 1.009 15.031 0.380 1.00 63.35 H new ATOM 0 HG22 THR A 53 0.495 13.898 1.653 1.00 63.35 H new ATOM 0 HG23 THR A 53 1.662 13.375 0.415 1.00 63.35 H new ATOM 893 N GLU A 54 -3.115 12.421 -0.101 1.00 4.32 N ATOM 894 CA GLU A 54 -4.479 12.270 -0.603 1.00 54.53 C ATOM 895 C GLU A 54 -4.511 12.478 -2.111 1.00 25.31 C ATOM 896 O GLU A 54 -5.152 11.725 -2.843 1.00 44.14 O ATOM 897 CB GLU A 54 -5.425 13.284 0.055 1.00 10.42 C ATOM 898 CG GLU A 54 -5.376 13.317 1.576 1.00 44.34 C ATOM 899 CD GLU A 54 -4.133 13.997 2.113 1.00 72.22 C ATOM 900 OE1 GLU A 54 -4.009 15.226 1.962 1.00 53.25 O ATOM 901 OE2 GLU A 54 -3.269 13.302 2.685 1.00 72.15 O ATOM 0 H GLU A 54 -3.027 13.094 0.660 1.00 4.32 H new ATOM 0 HA GLU A 54 -4.811 11.261 -0.359 1.00 54.53 H new ATOM 0 HB2 GLU A 54 -5.187 14.278 -0.323 1.00 10.42 H new ATOM 0 HB3 GLU A 54 -6.446 13.061 -0.256 1.00 10.42 H new ATOM 0 HG2 GLU A 54 -6.258 13.836 1.951 1.00 44.34 H new ATOM 0 HG3 GLU A 54 -5.419 12.297 1.958 1.00 44.34 H new ATOM 908 N ASP A 55 -3.800 13.507 -2.555 1.00 4.45 N ATOM 909 CA ASP A 55 -3.714 13.844 -3.969 1.00 75.22 C ATOM 910 C ASP A 55 -3.188 12.670 -4.780 1.00 2.21 C ATOM 911 O ASP A 55 -3.780 12.289 -5.794 1.00 53.23 O ATOM 912 CB ASP A 55 -2.811 15.062 -4.165 1.00 41.52 C ATOM 913 CG ASP A 55 -2.451 15.297 -5.619 1.00 65.15 C ATOM 914 OD1 ASP A 55 -3.366 15.397 -6.458 1.00 74.23 O ATOM 915 OD2 ASP A 55 -1.242 15.409 -5.922 1.00 21.31 O ATOM 0 H ASP A 55 -3.268 14.129 -1.946 1.00 4.45 H new ATOM 0 HA ASP A 55 -4.717 14.080 -4.323 1.00 75.22 H new ATOM 0 HB2 ASP A 55 -3.311 15.947 -3.771 1.00 41.52 H new ATOM 0 HB3 ASP A 55 -1.897 14.928 -3.586 1.00 41.52 H new ATOM 920 N PHE A 56 -2.089 12.084 -4.319 1.00 64.42 N ATOM 921 CA PHE A 56 -1.487 10.959 -5.017 1.00 54.32 C ATOM 922 C PHE A 56 -2.456 9.786 -5.063 1.00 12.22 C ATOM 923 O PHE A 56 -2.662 9.192 -6.113 1.00 43.55 O ATOM 924 CB PHE A 56 -0.177 10.529 -4.353 1.00 14.41 C ATOM 925 CG PHE A 56 0.558 9.478 -5.138 1.00 35.13 C ATOM 926 CD1 PHE A 56 1.393 9.840 -6.184 1.00 61.45 C ATOM 927 CD2 PHE A 56 0.408 8.130 -4.841 1.00 61.43 C ATOM 928 CE1 PHE A 56 2.065 8.881 -6.917 1.00 64.44 C ATOM 929 CE2 PHE A 56 1.078 7.168 -5.573 1.00 64.43 C ATOM 930 CZ PHE A 56 1.907 7.543 -6.612 1.00 61.54 C ATOM 0 H PHE A 56 -1.601 12.368 -3.470 1.00 64.42 H new ATOM 0 HA PHE A 56 -1.263 11.279 -6.035 1.00 54.32 H new ATOM 0 HB2 PHE A 56 0.466 11.401 -4.231 1.00 14.41 H new ATOM 0 HB3 PHE A 56 -0.390 10.147 -3.354 1.00 14.41 H new ATOM 0 HD1 PHE A 56 1.520 10.884 -6.429 1.00 61.45 H new ATOM 0 HD2 PHE A 56 -0.239 7.830 -4.030 1.00 61.43 H new ATOM 0 HE1 PHE A 56 2.714 9.177 -7.728 1.00 64.44 H new ATOM 0 HE2 PHE A 56 0.953 6.123 -5.332 1.00 64.43 H new ATOM 0 HZ PHE A 56 2.431 6.792 -7.185 1.00 61.54 H new ATOM 940 N LEU A 57 -3.059 9.471 -3.922 1.00 42.45 N ATOM 941 CA LEU A 57 -4.019 8.375 -3.834 1.00 73.34 C ATOM 942 C LEU A 57 -5.180 8.572 -4.800 1.00 23.23 C ATOM 943 O LEU A 57 -5.583 7.638 -5.490 1.00 54.44 O ATOM 944 CB LEU A 57 -4.549 8.242 -2.404 1.00 1.21 C ATOM 945 CG LEU A 57 -3.713 7.371 -1.463 1.00 41.22 C ATOM 946 CD1 LEU A 57 -3.848 5.904 -1.829 1.00 12.10 C ATOM 947 CD2 LEU A 57 -2.252 7.780 -1.494 1.00 73.40 C ATOM 0 H LEU A 57 -2.900 9.961 -3.042 1.00 42.45 H new ATOM 0 HA LEU A 57 -3.498 7.458 -4.111 1.00 73.34 H new ATOM 0 HB2 LEU A 57 -4.628 9.239 -1.971 1.00 1.21 H new ATOM 0 HB3 LEU A 57 -5.558 7.833 -2.447 1.00 1.21 H new ATOM 0 HG LEU A 57 -4.091 7.519 -0.451 1.00 41.22 H new ATOM 0 HD11 LEU A 57 -3.246 5.302 -1.148 1.00 12.10 H new ATOM 0 HD12 LEU A 57 -4.893 5.604 -1.751 1.00 12.10 H new ATOM 0 HD13 LEU A 57 -3.502 5.751 -2.851 1.00 12.10 H new ATOM 0 HD21 LEU A 57 -1.682 7.145 -0.816 1.00 73.40 H new ATOM 0 HD22 LEU A 57 -1.865 7.670 -2.507 1.00 73.40 H new ATOM 0 HD23 LEU A 57 -2.159 8.820 -1.181 1.00 73.40 H new ATOM 959 N ARG A 58 -5.704 9.791 -4.848 1.00 44.53 N ATOM 960 CA ARG A 58 -6.830 10.106 -5.715 1.00 33.33 C ATOM 961 C ARG A 58 -6.455 9.927 -7.188 1.00 64.35 C ATOM 962 O ARG A 58 -7.189 9.298 -7.950 1.00 44.33 O ATOM 963 CB ARG A 58 -7.321 11.536 -5.432 1.00 31.52 C ATOM 964 CG ARG A 58 -8.464 12.001 -6.326 1.00 11.30 C ATOM 965 CD ARG A 58 -7.946 12.663 -7.592 1.00 22.13 C ATOM 966 NE ARG A 58 -9.014 12.989 -8.533 1.00 11.51 N ATOM 967 CZ ARG A 58 -8.791 13.420 -9.772 1.00 74.30 C ATOM 968 NH1 ARG A 58 -7.548 13.660 -10.172 1.00 34.53 N ATOM 969 NH2 ARG A 58 -9.807 13.643 -10.597 1.00 23.25 N ATOM 0 H ARG A 58 -5.365 10.578 -4.295 1.00 44.53 H new ATOM 0 HA ARG A 58 -7.644 9.412 -5.502 1.00 33.33 H new ATOM 0 HB2 ARG A 58 -7.642 11.597 -4.392 1.00 31.52 H new ATOM 0 HB3 ARG A 58 -6.483 12.224 -5.548 1.00 31.52 H new ATOM 0 HG2 ARG A 58 -9.091 11.149 -6.590 1.00 11.30 H new ATOM 0 HG3 ARG A 58 -9.093 12.703 -5.779 1.00 11.30 H new ATOM 0 HD2 ARG A 58 -7.409 13.574 -7.328 1.00 22.13 H new ATOM 0 HD3 ARG A 58 -7.229 12.000 -8.077 1.00 22.13 H new ATOM 0 HE ARG A 58 -9.980 12.881 -8.225 1.00 11.51 H new ATOM 0 HH11 ARG A 58 -6.769 13.514 -9.530 1.00 34.53 H new ATOM 0 HH12 ARG A 58 -7.372 13.990 -11.121 1.00 34.53 H new ATOM 0 HH21 ARG A 58 -10.764 13.484 -10.282 1.00 23.25 H new ATOM 0 HH22 ARG A 58 -9.631 13.973 -11.546 1.00 23.25 H new ATOM 983 N ASP A 59 -5.306 10.463 -7.581 1.00 12.30 N ATOM 984 CA ASP A 59 -4.881 10.395 -8.976 1.00 14.04 C ATOM 985 C ASP A 59 -4.432 8.984 -9.345 1.00 53.03 C ATOM 986 O ASP A 59 -4.745 8.484 -10.426 1.00 1.45 O ATOM 987 CB ASP A 59 -3.749 11.389 -9.246 1.00 71.12 C ATOM 988 CG ASP A 59 -3.347 11.422 -10.709 1.00 55.32 C ATOM 989 OD1 ASP A 59 -4.138 11.929 -11.533 1.00 71.30 O ATOM 990 OD2 ASP A 59 -2.242 10.943 -11.044 1.00 42.10 O ATOM 0 H ASP A 59 -4.656 10.946 -6.961 1.00 12.30 H new ATOM 0 HA ASP A 59 -5.738 10.659 -9.596 1.00 14.04 H new ATOM 0 HB2 ASP A 59 -4.062 12.386 -8.935 1.00 71.12 H new ATOM 0 HB3 ASP A 59 -2.883 11.123 -8.640 1.00 71.12 H new ATOM 995 N TYR A 60 -3.724 8.336 -8.429 1.00 13.55 N ATOM 996 CA TYR A 60 -3.185 7.005 -8.677 1.00 31.43 C ATOM 997 C TYR A 60 -4.309 5.988 -8.797 1.00 5.11 C ATOM 998 O TYR A 60 -4.195 5.018 -9.539 1.00 52.21 O ATOM 999 CB TYR A 60 -2.217 6.594 -7.563 1.00 72.32 C ATOM 1000 CG TYR A 60 -1.452 5.321 -7.857 1.00 60.33 C ATOM 1001 CD1 TYR A 60 -0.380 5.322 -8.740 1.00 51.32 C ATOM 1002 CD2 TYR A 60 -1.806 4.120 -7.255 1.00 50.31 C ATOM 1003 CE1 TYR A 60 0.320 4.162 -9.016 1.00 30.03 C ATOM 1004 CE2 TYR A 60 -1.111 2.956 -7.524 1.00 55.21 C ATOM 1005 CZ TYR A 60 -0.050 2.983 -8.406 1.00 60.23 C ATOM 1006 OH TYR A 60 0.644 1.826 -8.676 1.00 31.03 O ATOM 0 H TYR A 60 -3.509 8.712 -7.505 1.00 13.55 H new ATOM 0 HA TYR A 60 -2.636 7.032 -9.618 1.00 31.43 H new ATOM 0 HB2 TYR A 60 -1.506 7.403 -7.395 1.00 72.32 H new ATOM 0 HB3 TYR A 60 -2.777 6.465 -6.637 1.00 72.32 H new ATOM 0 HD1 TYR A 60 -0.088 6.245 -9.219 1.00 51.32 H new ATOM 0 HD2 TYR A 60 -2.637 4.096 -6.566 1.00 50.31 H new ATOM 0 HE1 TYR A 60 1.151 4.180 -9.705 1.00 30.03 H new ATOM 0 HE2 TYR A 60 -1.397 2.030 -7.047 1.00 55.21 H new ATOM 0 HH TYR A 60 0.619 1.239 -7.892 1.00 31.03 H new ATOM 1016 N LEU A 61 -5.390 6.218 -8.060 1.00 33.14 N ATOM 1017 CA LEU A 61 -6.584 5.387 -8.168 1.00 64.33 C ATOM 1018 C LEU A 61 -7.062 5.346 -9.613 1.00 32.30 C ATOM 1019 O LEU A 61 -7.272 4.275 -10.187 1.00 35.11 O ATOM 1020 CB LEU A 61 -7.695 5.943 -7.273 1.00 5.22 C ATOM 1021 CG LEU A 61 -9.040 5.223 -7.386 1.00 4.53 C ATOM 1022 CD1 LEU A 61 -8.929 3.795 -6.882 1.00 42.14 C ATOM 1023 CD2 LEU A 61 -10.117 5.977 -6.621 1.00 33.34 C ATOM 0 H LEU A 61 -5.464 6.975 -7.380 1.00 33.14 H new ATOM 0 HA LEU A 61 -6.337 4.376 -7.844 1.00 64.33 H new ATOM 0 HB2 LEU A 61 -7.362 5.898 -6.236 1.00 5.22 H new ATOM 0 HB3 LEU A 61 -7.842 6.996 -7.515 1.00 5.22 H new ATOM 0 HG LEU A 61 -9.323 5.193 -8.438 1.00 4.53 H new ATOM 0 HD11 LEU A 61 -9.897 3.301 -6.971 1.00 42.14 H new ATOM 0 HD12 LEU A 61 -8.191 3.256 -7.476 1.00 42.14 H new ATOM 0 HD13 LEU A 61 -8.620 3.801 -5.837 1.00 42.14 H new ATOM 0 HD21 LEU A 61 -11.066 5.449 -6.714 1.00 33.34 H new ATOM 0 HD22 LEU A 61 -9.839 6.041 -5.569 1.00 33.34 H new ATOM 0 HD23 LEU A 61 -10.219 6.982 -7.031 1.00 33.34 H new ATOM 1035 N ILE A 62 -7.211 6.524 -10.196 1.00 15.33 N ATOM 1036 CA ILE A 62 -7.653 6.645 -11.579 1.00 2.33 C ATOM 1037 C ILE A 62 -6.594 6.092 -12.528 1.00 41.31 C ATOM 1038 O ILE A 62 -6.897 5.296 -13.414 1.00 22.33 O ATOM 1039 CB ILE A 62 -7.956 8.114 -11.953 1.00 50.03 C ATOM 1040 CG1 ILE A 62 -8.992 8.709 -10.995 1.00 53.40 C ATOM 1041 CG2 ILE A 62 -8.442 8.222 -13.397 1.00 60.40 C ATOM 1042 CD1 ILE A 62 -10.328 7.995 -11.016 1.00 50.41 C ATOM 0 H ILE A 62 -7.032 7.415 -9.732 1.00 15.33 H new ATOM 0 HA ILE A 62 -8.572 6.066 -11.677 1.00 2.33 H new ATOM 0 HB ILE A 62 -7.031 8.683 -11.863 1.00 50.03 H new ATOM 0 HG12 ILE A 62 -8.593 8.682 -9.981 1.00 53.40 H new ATOM 0 HG13 ILE A 62 -9.147 9.758 -11.249 1.00 53.40 H new ATOM 0 HG21 ILE A 62 -8.648 9.266 -13.634 1.00 60.40 H new ATOM 0 HG22 ILE A 62 -7.673 7.842 -14.069 1.00 60.40 H new ATOM 0 HG23 ILE A 62 -9.353 7.636 -13.519 1.00 60.40 H new ATOM 0 HD11 ILE A 62 -11.008 8.474 -10.312 1.00 50.41 H new ATOM 0 HD12 ILE A 62 -10.751 8.044 -12.019 1.00 50.41 H new ATOM 0 HD13 ILE A 62 -10.188 6.952 -10.732 1.00 50.41 H new ATOM 1054 N TYR A 63 -5.352 6.509 -12.313 1.00 2.22 N ATOM 1055 CA TYR A 63 -4.226 6.083 -13.140 1.00 10.00 C ATOM 1056 C TYR A 63 -4.116 4.557 -13.179 1.00 52.45 C ATOM 1057 O TYR A 63 -3.926 3.961 -14.238 1.00 44.14 O ATOM 1058 CB TYR A 63 -2.935 6.694 -12.584 1.00 0.35 C ATOM 1059 CG TYR A 63 -1.697 6.393 -13.400 1.00 64.25 C ATOM 1060 CD1 TYR A 63 -1.403 7.127 -14.541 1.00 4.21 C ATOM 1061 CD2 TYR A 63 -0.819 5.383 -13.026 1.00 75.33 C ATOM 1062 CE1 TYR A 63 -0.273 6.865 -15.286 1.00 60.45 C ATOM 1063 CE2 TYR A 63 0.316 5.115 -13.766 1.00 22.21 C ATOM 1064 CZ TYR A 63 0.582 5.858 -14.895 1.00 41.34 C ATOM 1065 OH TYR A 63 1.711 5.599 -15.636 1.00 65.42 O ATOM 0 H TYR A 63 -5.096 7.151 -11.563 1.00 2.22 H new ATOM 0 HA TYR A 63 -4.388 6.430 -14.161 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -3.058 7.775 -12.519 1.00 0.35 H new ATOM 0 HB3 TYR A 63 -2.783 6.329 -11.568 1.00 0.35 H new ATOM 0 HD1 TYR A 63 -2.071 7.917 -14.850 1.00 4.21 H new ATOM 0 HD2 TYR A 63 -1.027 4.798 -12.142 1.00 75.33 H new ATOM 0 HE1 TYR A 63 -0.059 7.446 -16.171 1.00 60.45 H new ATOM 0 HE2 TYR A 63 0.990 4.328 -13.462 1.00 22.21 H new ATOM 0 HH TYR A 63 2.208 4.860 -15.227 1.00 65.42 H new ATOM 1075 N MET A 64 -4.253 3.938 -12.016 1.00 44.13 N ATOM 1076 CA MET A 64 -4.132 2.492 -11.880 1.00 4.35 C ATOM 1077 C MET A 64 -5.247 1.763 -12.615 1.00 73.31 C ATOM 1078 O MET A 64 -4.996 0.822 -13.369 1.00 43.43 O ATOM 1079 CB MET A 64 -4.140 2.118 -10.398 1.00 75.23 C ATOM 1080 CG MET A 64 -4.164 0.624 -10.126 1.00 13.40 C ATOM 1081 SD MET A 64 -3.725 0.223 -8.423 1.00 31.30 S ATOM 1082 CE MET A 64 -4.618 1.490 -7.524 1.00 61.12 C ATOM 0 H MET A 64 -4.451 4.422 -11.140 1.00 44.13 H new ATOM 0 HA MET A 64 -3.189 2.184 -12.332 1.00 4.35 H new ATOM 0 HB2 MET A 64 -3.258 2.547 -9.923 1.00 75.23 H new ATOM 0 HB3 MET A 64 -5.010 2.575 -9.926 1.00 75.23 H new ATOM 0 HG2 MET A 64 -5.159 0.235 -10.342 1.00 13.40 H new ATOM 0 HG3 MET A 64 -3.472 0.124 -10.803 1.00 13.40 H new ATOM 0 HE1 MET A 64 -5.065 1.055 -6.630 1.00 61.12 H new ATOM 0 HE2 MET A 64 -3.930 2.285 -7.235 1.00 61.12 H new ATOM 0 HE3 MET A 64 -5.403 1.902 -8.159 1.00 61.12 H new ATOM 1092 N LYS A 65 -6.477 2.194 -12.401 1.00 72.12 N ATOM 1093 CA LYS A 65 -7.617 1.513 -12.997 1.00 73.42 C ATOM 1094 C LYS A 65 -7.750 1.827 -14.489 1.00 23.54 C ATOM 1095 O LYS A 65 -8.228 0.996 -15.258 1.00 23.14 O ATOM 1096 CB LYS A 65 -8.913 1.847 -12.263 1.00 32.51 C ATOM 1097 CG LYS A 65 -9.520 3.159 -12.677 1.00 10.33 C ATOM 1098 CD LYS A 65 -11.003 3.182 -12.414 1.00 64.14 C ATOM 1099 CE LYS A 65 -11.664 4.141 -13.362 1.00 33.30 C ATOM 1100 NZ LYS A 65 -13.059 4.452 -12.960 1.00 60.55 N ATOM 0 H LYS A 65 -6.713 3.003 -11.826 1.00 72.12 H new ATOM 0 HA LYS A 65 -7.434 0.443 -12.896 1.00 73.42 H new ATOM 0 HB2 LYS A 65 -9.636 1.050 -12.439 1.00 32.51 H new ATOM 0 HB3 LYS A 65 -8.718 1.869 -11.191 1.00 32.51 H new ATOM 0 HG2 LYS A 65 -9.039 3.972 -12.133 1.00 10.33 H new ATOM 0 HG3 LYS A 65 -9.334 3.330 -13.737 1.00 10.33 H new ATOM 0 HD2 LYS A 65 -11.421 2.183 -12.540 1.00 64.14 H new ATOM 0 HD3 LYS A 65 -11.196 3.481 -11.384 1.00 64.14 H new ATOM 0 HE2 LYS A 65 -11.085 5.064 -13.405 1.00 33.30 H new ATOM 0 HE3 LYS A 65 -11.663 3.716 -14.366 1.00 33.30 H new ATOM 0 HZ1 LYS A 65 -13.477 5.117 -13.642 1.00 60.55 H new ATOM 0 HZ2 LYS A 65 -13.619 3.576 -12.943 1.00 60.55 H new ATOM 0 HZ3 LYS A 65 -13.060 4.881 -12.013 1.00 60.55 H new ATOM 1114 N LYS A 66 -7.312 3.010 -14.902 1.00 20.34 N ATOM 1115 CA LYS A 66 -7.467 3.430 -16.291 1.00 73.33 C ATOM 1116 C LYS A 66 -6.229 3.100 -17.122 1.00 31.43 C ATOM 1117 O LYS A 66 -6.282 2.273 -18.032 1.00 63.11 O ATOM 1118 CB LYS A 66 -7.739 4.936 -16.358 1.00 11.23 C ATOM 1119 CG LYS A 66 -7.883 5.471 -17.774 1.00 42.53 C ATOM 1120 CD LYS A 66 -7.920 6.989 -17.789 1.00 22.42 C ATOM 1121 CE LYS A 66 -8.049 7.531 -19.204 1.00 4.21 C ATOM 1122 NZ LYS A 66 -7.962 9.014 -19.245 1.00 41.01 N ATOM 0 H LYS A 66 -6.850 3.692 -14.301 1.00 20.34 H new ATOM 0 HA LYS A 66 -8.312 2.882 -16.707 1.00 73.33 H new ATOM 0 HB2 LYS A 66 -8.650 5.156 -15.802 1.00 11.23 H new ATOM 0 HB3 LYS A 66 -6.926 5.465 -15.861 1.00 11.23 H new ATOM 0 HG2 LYS A 66 -7.051 5.119 -18.384 1.00 42.53 H new ATOM 0 HG3 LYS A 66 -8.796 5.078 -18.222 1.00 42.53 H new ATOM 0 HD2 LYS A 66 -8.758 7.339 -17.187 1.00 22.42 H new ATOM 0 HD3 LYS A 66 -7.012 7.380 -17.330 1.00 22.42 H new ATOM 0 HE2 LYS A 66 -7.263 7.105 -19.828 1.00 4.21 H new ATOM 0 HE3 LYS A 66 -9.001 7.212 -19.628 1.00 4.21 H new ATOM 0 HZ1 LYS A 66 -8.055 9.340 -20.228 1.00 41.01 H new ATOM 0 HZ2 LYS A 66 -8.727 9.423 -18.671 1.00 41.01 H new ATOM 0 HZ3 LYS A 66 -7.043 9.319 -18.865 1.00 41.01 H new ATOM 1136 N THR A 67 -5.111 3.725 -16.784 1.00 40.34 N ATOM 1137 CA THR A 67 -3.902 3.626 -17.586 1.00 14.23 C ATOM 1138 C THR A 67 -3.254 2.249 -17.455 1.00 13.54 C ATOM 1139 O THR A 67 -2.655 1.738 -18.405 1.00 22.42 O ATOM 1140 CB THR A 67 -2.895 4.714 -17.168 1.00 31.44 C ATOM 1141 OG1 THR A 67 -3.580 5.964 -17.008 1.00 4.24 O ATOM 1142 CG2 THR A 67 -1.790 4.867 -18.205 1.00 43.34 C ATOM 0 H THR A 67 -5.017 4.310 -15.954 1.00 40.34 H new ATOM 0 HA THR A 67 -4.185 3.772 -18.628 1.00 14.23 H new ATOM 0 HB THR A 67 -2.439 4.416 -16.224 1.00 31.44 H new ATOM 0 HG1 THR A 67 -3.147 6.486 -16.301 1.00 4.24 H new ATOM 0 HG21 THR A 67 -1.094 5.642 -17.883 1.00 43.34 H new ATOM 0 HG22 THR A 67 -1.257 3.922 -18.311 1.00 43.34 H new ATOM 0 HG23 THR A 67 -2.227 5.147 -19.164 1.00 43.34 H new ATOM 1150 N LEU A 68 -3.382 1.647 -16.280 1.00 2.22 N ATOM 1151 CA LEU A 68 -2.789 0.338 -16.033 1.00 4.21 C ATOM 1152 C LEU A 68 -3.814 -0.771 -16.246 1.00 24.23 C ATOM 1153 O LEU A 68 -3.496 -1.952 -16.106 1.00 3.55 O ATOM 1154 CB LEU A 68 -2.218 0.268 -14.614 1.00 44.05 C ATOM 1155 CG LEU A 68 -1.156 1.323 -14.290 1.00 32.15 C ATOM 1156 CD1 LEU A 68 -0.709 1.205 -12.841 1.00 31.21 C ATOM 1157 CD2 LEU A 68 0.036 1.190 -15.228 1.00 64.52 C ATOM 0 H LEU A 68 -3.888 2.041 -15.487 1.00 2.22 H new ATOM 0 HA LEU A 68 -1.976 0.194 -16.745 1.00 4.21 H new ATOM 0 HB2 LEU A 68 -3.038 0.370 -13.903 1.00 44.05 H new ATOM 0 HB3 LEU A 68 -1.785 -0.720 -14.461 1.00 44.05 H new ATOM 0 HG LEU A 68 -1.599 2.309 -14.434 1.00 32.15 H new ATOM 0 HD11 LEU A 68 0.046 1.963 -12.630 1.00 31.21 H new ATOM 0 HD12 LEU A 68 -1.565 1.353 -12.183 1.00 31.21 H new ATOM 0 HD13 LEU A 68 -0.286 0.215 -12.670 1.00 31.21 H new ATOM 0 HD21 LEU A 68 0.779 1.948 -14.982 1.00 64.52 H new ATOM 0 HD22 LEU A 68 0.477 0.200 -15.117 1.00 64.52 H new ATOM 0 HD23 LEU A 68 -0.294 1.327 -16.258 1.00 64.52 H new ATOM 1169 N CYS A 69 -5.038 -0.368 -16.586 1.00 33.12 N ATOM 1170 CA CYS A 69 -6.132 -1.296 -16.884 1.00 52.30 C ATOM 1171 C CYS A 69 -6.491 -2.160 -15.674 1.00 52.43 C ATOM 1172 O CYS A 69 -6.017 -3.288 -15.532 1.00 0.21 O ATOM 1173 CB CYS A 69 -5.781 -2.180 -18.089 1.00 42.33 C ATOM 1174 SG CYS A 69 -7.100 -3.307 -18.605 1.00 14.22 S ATOM 0 H CYS A 69 -5.301 0.614 -16.663 1.00 33.12 H new ATOM 0 HA CYS A 69 -7.008 -0.696 -17.132 1.00 52.30 H new ATOM 0 HB2 CYS A 69 -5.520 -1.538 -18.930 1.00 42.33 H new ATOM 0 HB3 CYS A 69 -4.894 -2.766 -17.847 1.00 42.33 H new ATOM 0 HG CYS A 69 -6.701 -4.003 -19.628 1.00 14.22 H new ATOM 1180 N ASN A 70 -7.328 -1.618 -14.797 1.00 32.45 N ATOM 1181 CA ASN A 70 -7.790 -2.340 -13.613 1.00 52.02 C ATOM 1182 C ASN A 70 -9.219 -1.933 -13.285 1.00 25.41 C ATOM 1183 O ASN A 70 -9.799 -1.086 -13.960 1.00 22.22 O ATOM 1184 CB ASN A 70 -6.896 -2.072 -12.390 1.00 74.04 C ATOM 1185 CG ASN A 70 -5.520 -2.705 -12.495 1.00 12.43 C ATOM 1186 OD1 ASN A 70 -5.325 -3.859 -12.116 1.00 34.13 O ATOM 1187 ND2 ASN A 70 -4.553 -1.947 -12.982 1.00 25.34 N ATOM 0 H ASN A 70 -7.704 -0.674 -14.883 1.00 32.45 H new ATOM 0 HA ASN A 70 -7.742 -3.405 -13.841 1.00 52.02 H new ATOM 0 HB2 ASN A 70 -6.783 -0.996 -12.261 1.00 74.04 H new ATOM 0 HB3 ASN A 70 -7.394 -2.449 -11.497 1.00 74.04 H new ATOM 0 HD21 ASN A 70 -3.604 -2.314 -13.054 1.00 25.34 H new ATOM 0 HD22 ASN A 70 -4.756 -0.995 -13.286 1.00 25.34 H new ATOM 1194 N ALA A 71 -9.775 -2.531 -12.244 1.00 11.33 N ATOM 1195 CA ALA A 71 -11.114 -2.187 -11.794 1.00 21.15 C ATOM 1196 C ALA A 71 -11.052 -1.560 -10.406 1.00 64.22 C ATOM 1197 O ALA A 71 -9.987 -1.540 -9.785 1.00 43.41 O ATOM 1198 CB ALA A 71 -11.999 -3.422 -11.786 1.00 3.22 C ATOM 0 H ALA A 71 -9.319 -3.259 -11.694 1.00 11.33 H new ATOM 0 HA ALA A 71 -11.545 -1.461 -12.484 1.00 21.15 H new ATOM 0 HB1 ALA A 71 -12.999 -3.151 -11.447 1.00 3.22 H new ATOM 0 HB2 ALA A 71 -12.057 -3.835 -12.793 1.00 3.22 H new ATOM 0 HB3 ALA A 71 -11.577 -4.168 -11.112 1.00 3.22 H new ATOM 1204 N ASP A 72 -12.189 -1.071 -9.923 1.00 64.41 N ATOM 1205 CA ASP A 72 -12.255 -0.397 -8.626 1.00 34.24 C ATOM 1206 C ASP A 72 -11.787 -1.321 -7.509 1.00 21.21 C ATOM 1207 O ASP A 72 -10.958 -0.938 -6.684 1.00 64.14 O ATOM 1208 CB ASP A 72 -13.679 0.080 -8.320 1.00 23.44 C ATOM 1209 CG ASP A 72 -14.174 1.143 -9.280 1.00 42.44 C ATOM 1210 OD1 ASP A 72 -13.795 2.323 -9.123 1.00 53.11 O ATOM 1211 OD2 ASP A 72 -14.973 0.810 -10.182 1.00 54.32 O ATOM 0 H ASP A 72 -13.083 -1.128 -10.411 1.00 64.41 H new ATOM 0 HA ASP A 72 -11.595 0.469 -8.679 1.00 34.24 H new ATOM 0 HB2 ASP A 72 -14.356 -0.774 -8.354 1.00 23.44 H new ATOM 0 HB3 ASP A 72 -13.713 0.474 -7.304 1.00 23.44 H new ATOM 1216 N SER A 73 -12.320 -2.540 -7.497 1.00 75.43 N ATOM 1217 CA SER A 73 -11.965 -3.524 -6.483 1.00 1.14 C ATOM 1218 C SER A 73 -10.460 -3.789 -6.495 1.00 65.33 C ATOM 1219 O SER A 73 -9.804 -3.726 -5.456 1.00 34.24 O ATOM 1220 CB SER A 73 -12.744 -4.825 -6.715 1.00 25.44 C ATOM 1221 OG SER A 73 -12.374 -5.837 -5.790 1.00 20.30 O ATOM 0 H SER A 73 -13.001 -2.869 -8.181 1.00 75.43 H new ATOM 0 HA SER A 73 -12.232 -3.128 -5.503 1.00 1.14 H new ATOM 0 HB2 SER A 73 -13.813 -4.628 -6.629 1.00 25.44 H new ATOM 0 HB3 SER A 73 -12.565 -5.179 -7.730 1.00 25.44 H new ATOM 0 HG SER A 73 -12.893 -6.649 -5.969 1.00 20.30 H new ATOM 1227 N THR A 74 -9.917 -4.054 -7.681 1.00 53.35 N ATOM 1228 CA THR A 74 -8.493 -4.322 -7.832 1.00 11.34 C ATOM 1229 C THR A 74 -7.663 -3.165 -7.277 1.00 70.14 C ATOM 1230 O THR A 74 -6.721 -3.370 -6.510 1.00 74.24 O ATOM 1231 CB THR A 74 -8.125 -4.541 -9.314 1.00 71.11 C ATOM 1232 OG1 THR A 74 -9.103 -5.383 -9.943 1.00 0.11 O ATOM 1233 CG2 THR A 74 -6.749 -5.180 -9.439 1.00 45.44 C ATOM 0 H THR A 74 -10.445 -4.088 -8.553 1.00 53.35 H new ATOM 0 HA THR A 74 -8.271 -5.230 -7.271 1.00 11.34 H new ATOM 0 HB THR A 74 -8.107 -3.570 -9.809 1.00 71.11 H new ATOM 0 HG1 THR A 74 -8.864 -5.516 -10.884 1.00 0.11 H new ATOM 0 HG21 THR A 74 -6.510 -5.325 -10.492 1.00 45.44 H new ATOM 0 HG22 THR A 74 -6.003 -4.529 -8.984 1.00 45.44 H new ATOM 0 HG23 THR A 74 -6.748 -6.144 -8.930 1.00 45.44 H new ATOM 1241 N ALA A 75 -8.048 -1.952 -7.649 1.00 34.54 N ATOM 1242 CA ALA A 75 -7.330 -0.755 -7.240 1.00 71.42 C ATOM 1243 C ALA A 75 -7.353 -0.575 -5.725 1.00 64.31 C ATOM 1244 O ALA A 75 -6.319 -0.318 -5.107 1.00 4.31 O ATOM 1245 CB ALA A 75 -7.925 0.460 -7.932 1.00 11.13 C ATOM 0 H ALA A 75 -8.861 -1.771 -8.238 1.00 34.54 H new ATOM 0 HA ALA A 75 -6.287 -0.865 -7.537 1.00 71.42 H new ATOM 0 HB1 ALA A 75 -7.385 1.355 -7.624 1.00 11.13 H new ATOM 0 HB2 ALA A 75 -7.842 0.340 -9.012 1.00 11.13 H new ATOM 0 HB3 ALA A 75 -8.975 0.557 -7.657 1.00 11.13 H new ATOM 1251 N GLN A 76 -8.530 -0.727 -5.129 1.00 21.33 N ATOM 1252 CA GLN A 76 -8.700 -0.547 -3.699 1.00 30.41 C ATOM 1253 C GLN A 76 -7.887 -1.572 -2.908 1.00 43.50 C ATOM 1254 O GLN A 76 -7.278 -1.246 -1.890 1.00 60.21 O ATOM 1255 CB GLN A 76 -10.182 -0.653 -3.351 1.00 30.44 C ATOM 1256 CG GLN A 76 -10.997 0.566 -3.764 1.00 52.25 C ATOM 1257 CD GLN A 76 -10.657 1.812 -2.962 1.00 34.22 C ATOM 1258 OE1 GLN A 76 -9.540 1.975 -2.474 1.00 24.25 O ATOM 1259 NE2 GLN A 76 -11.620 2.711 -2.827 1.00 71.11 N ATOM 0 H GLN A 76 -9.386 -0.977 -5.623 1.00 21.33 H new ATOM 0 HA GLN A 76 -8.331 0.441 -3.425 1.00 30.41 H new ATOM 0 HB2 GLN A 76 -10.597 -1.537 -3.834 1.00 30.44 H new ATOM 0 HB3 GLN A 76 -10.284 -0.800 -2.276 1.00 30.44 H new ATOM 0 HG2 GLN A 76 -10.829 0.766 -4.822 1.00 52.25 H new ATOM 0 HG3 GLN A 76 -12.057 0.343 -3.646 1.00 52.25 H new ATOM 0 HE21 GLN A 76 -12.536 2.544 -3.245 1.00 71.11 H new ATOM 0 HE22 GLN A 76 -11.446 3.570 -2.305 1.00 71.11 H new ATOM 1268 N ARG A 77 -7.868 -2.809 -3.387 1.00 23.03 N ATOM 1269 CA ARG A 77 -7.125 -3.874 -2.721 1.00 74.10 C ATOM 1270 C ARG A 77 -5.623 -3.615 -2.790 1.00 62.54 C ATOM 1271 O ARG A 77 -4.877 -3.946 -1.868 1.00 33.03 O ATOM 1272 CB ARG A 77 -7.456 -5.221 -3.352 1.00 73.12 C ATOM 1273 CG ARG A 77 -8.926 -5.578 -3.255 1.00 63.25 C ATOM 1274 CD ARG A 77 -9.217 -6.886 -3.956 1.00 71.32 C ATOM 1275 NE ARG A 77 -10.642 -7.222 -3.917 1.00 11.15 N ATOM 1276 CZ ARG A 77 -11.160 -8.249 -3.237 1.00 53.14 C ATOM 1277 NH1 ARG A 77 -10.385 -9.019 -2.479 1.00 50.35 N ATOM 1278 NH2 ARG A 77 -12.463 -8.491 -3.301 1.00 71.11 N ATOM 0 H ARG A 77 -8.357 -3.101 -4.233 1.00 23.03 H new ATOM 0 HA ARG A 77 -7.421 -3.892 -1.672 1.00 74.10 H new ATOM 0 HB2 ARG A 77 -7.160 -5.207 -4.401 1.00 73.12 H new ATOM 0 HB3 ARG A 77 -6.867 -5.998 -2.865 1.00 73.12 H new ATOM 0 HG2 ARG A 77 -9.217 -5.651 -2.207 1.00 63.25 H new ATOM 0 HG3 ARG A 77 -9.526 -4.783 -3.698 1.00 63.25 H new ATOM 0 HD2 ARG A 77 -8.887 -6.823 -4.993 1.00 71.32 H new ATOM 0 HD3 ARG A 77 -8.643 -7.685 -3.487 1.00 71.32 H new ATOM 0 HE ARG A 77 -11.284 -6.631 -4.446 1.00 11.15 H new ATOM 0 HH11 ARG A 77 -9.385 -8.828 -2.413 1.00 50.35 H new ATOM 0 HH12 ARG A 77 -10.790 -9.801 -1.964 1.00 50.35 H new ATOM 0 HH21 ARG A 77 -13.065 -7.894 -3.868 1.00 71.11 H new ATOM 0 HH22 ARG A 77 -12.862 -9.274 -2.783 1.00 71.11 H new ATOM 1292 N ASN A 78 -5.188 -3.039 -3.898 1.00 32.52 N ATOM 1293 CA ASN A 78 -3.794 -2.626 -4.047 1.00 11.53 C ATOM 1294 C ASN A 78 -3.433 -1.542 -3.036 1.00 61.51 C ATOM 1295 O ASN A 78 -2.450 -1.660 -2.303 1.00 71.32 O ATOM 1296 CB ASN A 78 -3.511 -2.116 -5.468 1.00 1.52 C ATOM 1297 CG ASN A 78 -3.559 -3.211 -6.519 1.00 71.21 C ATOM 1298 OD1 ASN A 78 -3.344 -4.386 -6.223 1.00 72.23 O ATOM 1299 ND2 ASN A 78 -3.817 -2.830 -7.760 1.00 3.32 N ATOM 0 H ASN A 78 -5.775 -2.845 -4.709 1.00 32.52 H new ATOM 0 HA ASN A 78 -3.177 -3.505 -3.861 1.00 11.53 H new ATOM 0 HB2 ASN A 78 -4.239 -1.346 -5.722 1.00 1.52 H new ATOM 0 HB3 ASN A 78 -2.528 -1.645 -5.489 1.00 1.52 H new ATOM 0 HD21 ASN A 78 -3.843 -3.520 -8.510 1.00 3.32 H new ATOM 0 HD22 ASN A 78 -3.990 -1.846 -7.966 1.00 3.32 H new ATOM 1306 N LEU A 79 -4.250 -0.501 -2.989 1.00 63.33 N ATOM 1307 CA LEU A 79 -3.984 0.660 -2.143 1.00 73.51 C ATOM 1308 C LEU A 79 -4.102 0.334 -0.654 1.00 73.02 C ATOM 1309 O LEU A 79 -3.354 0.871 0.164 1.00 1.24 O ATOM 1310 CB LEU A 79 -4.938 1.801 -2.501 1.00 51.41 C ATOM 1311 CG LEU A 79 -4.751 2.388 -3.903 1.00 22.42 C ATOM 1312 CD1 LEU A 79 -5.800 3.454 -4.179 1.00 53.22 C ATOM 1313 CD2 LEU A 79 -3.352 2.965 -4.054 1.00 42.53 C ATOM 0 H LEU A 79 -5.111 -0.434 -3.531 1.00 63.33 H new ATOM 0 HA LEU A 79 -2.955 0.966 -2.331 1.00 73.51 H new ATOM 0 HB2 LEU A 79 -5.962 1.440 -2.409 1.00 51.41 H new ATOM 0 HB3 LEU A 79 -4.815 2.600 -1.770 1.00 51.41 H new ATOM 0 HG LEU A 79 -4.875 1.587 -4.632 1.00 22.42 H new ATOM 0 HD11 LEU A 79 -5.652 3.860 -5.180 1.00 53.22 H new ATOM 0 HD12 LEU A 79 -6.794 3.013 -4.110 1.00 53.22 H new ATOM 0 HD13 LEU A 79 -5.707 4.255 -3.445 1.00 53.22 H new ATOM 0 HD21 LEU A 79 -3.235 3.378 -5.056 1.00 42.53 H new ATOM 0 HD22 LEU A 79 -3.202 3.753 -3.316 1.00 42.53 H new ATOM 0 HD23 LEU A 79 -2.615 2.177 -3.898 1.00 42.53 H new ATOM 1325 N SER A 80 -5.027 -0.551 -0.304 1.00 51.23 N ATOM 1326 CA SER A 80 -5.258 -0.900 1.094 1.00 62.13 C ATOM 1327 C SER A 80 -4.055 -1.628 1.703 1.00 74.52 C ATOM 1328 O SER A 80 -3.908 -1.688 2.920 1.00 62.42 O ATOM 1329 CB SER A 80 -6.529 -1.743 1.229 1.00 2.13 C ATOM 1330 OG SER A 80 -6.558 -2.787 0.273 1.00 41.33 O ATOM 0 H SER A 80 -5.629 -1.040 -0.967 1.00 51.23 H new ATOM 0 HA SER A 80 -5.392 0.027 1.651 1.00 62.13 H new ATOM 0 HB2 SER A 80 -6.583 -2.165 2.233 1.00 2.13 H new ATOM 0 HB3 SER A 80 -7.405 -1.107 1.103 1.00 2.13 H new ATOM 0 HG SER A 80 -6.838 -2.428 -0.595 1.00 41.33 H new ATOM 1336 N THR A 81 -3.187 -2.170 0.859 1.00 43.44 N ATOM 1337 CA THR A 81 -1.959 -2.786 1.339 1.00 51.23 C ATOM 1338 C THR A 81 -0.949 -1.713 1.744 1.00 61.52 C ATOM 1339 O THR A 81 -0.193 -1.880 2.702 1.00 23.14 O ATOM 1340 CB THR A 81 -1.344 -3.702 0.266 1.00 71.14 C ATOM 1341 OG1 THR A 81 -2.330 -4.635 -0.193 1.00 3.22 O ATOM 1342 CG2 THR A 81 -0.142 -4.461 0.808 1.00 23.50 C ATOM 0 H THR A 81 -3.309 -2.195 -0.153 1.00 43.44 H new ATOM 0 HA THR A 81 -2.207 -3.392 2.210 1.00 51.23 H new ATOM 0 HB THR A 81 -1.008 -3.076 -0.561 1.00 71.14 H new ATOM 0 HG1 THR A 81 -1.910 -5.285 -0.794 1.00 3.22 H new ATOM 0 HG21 THR A 81 0.269 -5.099 0.025 1.00 23.50 H new ATOM 0 HG22 THR A 81 0.619 -3.752 1.135 1.00 23.50 H new ATOM 0 HG23 THR A 81 -0.451 -5.077 1.653 1.00 23.50 H new ATOM 1350 N ILE A 82 -0.972 -0.596 1.026 1.00 61.52 N ATOM 1351 CA ILE A 82 -0.039 0.495 1.270 1.00 34.25 C ATOM 1352 C ILE A 82 -0.345 1.181 2.598 1.00 64.24 C ATOM 1353 O ILE A 82 0.563 1.487 3.370 1.00 1.12 O ATOM 1354 CB ILE A 82 -0.088 1.537 0.130 1.00 3.15 C ATOM 1355 CG1 ILE A 82 0.114 0.855 -1.226 1.00 50.31 C ATOM 1356 CG2 ILE A 82 0.970 2.613 0.349 1.00 4.42 C ATOM 1357 CD1 ILE A 82 -0.050 1.792 -2.403 1.00 24.02 C ATOM 0 H ILE A 82 -1.631 -0.423 0.267 1.00 61.52 H new ATOM 0 HA ILE A 82 0.962 0.065 1.310 1.00 34.25 H new ATOM 0 HB ILE A 82 -1.070 2.011 0.135 1.00 3.15 H new ATOM 0 HG12 ILE A 82 1.111 0.415 -1.258 1.00 50.31 H new ATOM 0 HG13 ILE A 82 -0.599 0.036 -1.322 1.00 50.31 H new ATOM 0 HG21 ILE A 82 0.923 3.340 -0.462 1.00 4.42 H new ATOM 0 HG22 ILE A 82 0.786 3.116 1.298 1.00 4.42 H new ATOM 0 HG23 ILE A 82 1.958 2.153 0.368 1.00 4.42 H new ATOM 0 HD11 ILE A 82 0.107 1.242 -3.331 1.00 24.02 H new ATOM 0 HD12 ILE A 82 -1.056 2.212 -2.396 1.00 24.02 H new ATOM 0 HD13 ILE A 82 0.681 2.598 -2.331 1.00 24.02 H new ATOM 1369 N LYS A 83 -1.633 1.390 2.871 1.00 33.15 N ATOM 1370 CA LYS A 83 -2.067 2.075 4.082 1.00 42.10 C ATOM 1371 C LYS A 83 -1.595 1.353 5.334 1.00 22.33 C ATOM 1372 O LYS A 83 -1.379 1.986 6.355 1.00 63.44 O ATOM 1373 CB LYS A 83 -3.591 2.275 4.081 1.00 1.12 C ATOM 1374 CG LYS A 83 -4.419 1.000 4.158 1.00 54.14 C ATOM 1375 CD LYS A 83 -4.698 0.582 5.594 1.00 42.05 C ATOM 1376 CE LYS A 83 -5.499 -0.709 5.656 1.00 75.25 C ATOM 1377 NZ LYS A 83 -5.818 -1.092 7.056 1.00 41.44 N ATOM 0 H LYS A 83 -2.396 1.091 2.264 1.00 33.15 H new ATOM 0 HA LYS A 83 -1.603 3.061 4.092 1.00 42.10 H new ATOM 0 HB2 LYS A 83 -3.857 2.912 4.925 1.00 1.12 H new ATOM 0 HB3 LYS A 83 -3.869 2.814 3.175 1.00 1.12 H new ATOM 0 HG2 LYS A 83 -5.363 1.150 3.635 1.00 54.14 H new ATOM 0 HG3 LYS A 83 -3.894 0.196 3.643 1.00 54.14 H new ATOM 0 HD2 LYS A 83 -3.755 0.452 6.125 1.00 42.05 H new ATOM 0 HD3 LYS A 83 -5.245 1.375 6.105 1.00 42.05 H new ATOM 0 HE2 LYS A 83 -6.424 -0.591 5.091 1.00 75.25 H new ATOM 0 HE3 LYS A 83 -4.935 -1.510 5.179 1.00 75.25 H new ATOM 0 HZ1 LYS A 83 -6.365 -1.977 7.058 1.00 41.44 H new ATOM 0 HZ2 LYS A 83 -4.935 -1.229 7.588 1.00 41.44 H new ATOM 0 HZ3 LYS A 83 -6.378 -0.338 7.503 1.00 41.44 H new ATOM 1391 N ILE A 84 -1.427 0.038 5.254 1.00 15.20 N ATOM 1392 CA ILE A 84 -0.925 -0.719 6.391 1.00 61.21 C ATOM 1393 C ILE A 84 0.463 -0.216 6.785 1.00 44.23 C ATOM 1394 O ILE A 84 0.717 0.068 7.956 1.00 53.45 O ATOM 1395 CB ILE A 84 -0.861 -2.231 6.085 1.00 64.11 C ATOM 1396 CG1 ILE A 84 -2.233 -2.742 5.637 1.00 31.43 C ATOM 1397 CG2 ILE A 84 -0.375 -3.003 7.304 1.00 45.00 C ATOM 1398 CD1 ILE A 84 -2.231 -4.195 5.222 1.00 30.14 C ATOM 0 H ILE A 84 -1.629 -0.519 4.424 1.00 15.20 H new ATOM 0 HA ILE A 84 -1.619 -0.570 7.219 1.00 61.21 H new ATOM 0 HB ILE A 84 -0.151 -2.390 5.274 1.00 64.11 H new ATOM 0 HG12 ILE A 84 -2.946 -2.606 6.451 1.00 31.43 H new ATOM 0 HG13 ILE A 84 -2.583 -2.135 4.802 1.00 31.43 H new ATOM 0 HG21 ILE A 84 -0.336 -4.067 7.069 1.00 45.00 H new ATOM 0 HG22 ILE A 84 0.620 -2.656 7.581 1.00 45.00 H new ATOM 0 HG23 ILE A 84 -1.061 -2.840 8.135 1.00 45.00 H new ATOM 0 HD11 ILE A 84 -3.236 -4.488 4.917 1.00 30.14 H new ATOM 0 HD12 ILE A 84 -1.544 -4.334 4.388 1.00 30.14 H new ATOM 0 HD13 ILE A 84 -1.912 -4.813 6.062 1.00 30.14 H new ATOM 1410 N TYR A 85 1.350 -0.075 5.804 1.00 11.11 N ATOM 1411 CA TYR A 85 2.682 0.442 6.082 1.00 5.02 C ATOM 1412 C TYR A 85 2.631 1.942 6.360 1.00 55.02 C ATOM 1413 O TYR A 85 3.333 2.428 7.236 1.00 72.02 O ATOM 1414 CB TYR A 85 3.666 0.166 4.944 1.00 23.24 C ATOM 1415 CG TYR A 85 5.071 0.620 5.286 1.00 42.22 C ATOM 1416 CD1 TYR A 85 5.840 -0.097 6.190 1.00 14.13 C ATOM 1417 CD2 TYR A 85 5.612 1.778 4.739 1.00 73.30 C ATOM 1418 CE1 TYR A 85 7.106 0.323 6.544 1.00 11.14 C ATOM 1419 CE2 TYR A 85 6.882 2.201 5.083 1.00 72.10 C ATOM 1420 CZ TYR A 85 7.622 1.472 5.989 1.00 74.10 C ATOM 1421 OH TYR A 85 8.878 1.898 6.350 1.00 24.20 O ATOM 0 H TYR A 85 1.174 -0.307 4.827 1.00 11.11 H new ATOM 0 HA TYR A 85 3.041 -0.084 6.967 1.00 5.02 H new ATOM 0 HB2 TYR A 85 3.674 -0.901 4.722 1.00 23.24 H new ATOM 0 HB3 TYR A 85 3.329 0.677 4.042 1.00 23.24 H new ATOM 0 HD1 TYR A 85 5.441 -1.001 6.625 1.00 14.13 H new ATOM 0 HD2 TYR A 85 5.031 2.355 4.035 1.00 73.30 H new ATOM 0 HE1 TYR A 85 7.689 -0.247 7.253 1.00 11.14 H new ATOM 0 HE2 TYR A 85 7.293 3.098 4.644 1.00 72.10 H new ATOM 0 HH TYR A 85 9.522 1.642 5.657 1.00 24.20 H new ATOM 1431 N VAL A 86 1.809 2.670 5.608 1.00 30.25 N ATOM 1432 CA VAL A 86 1.645 4.107 5.828 1.00 44.01 C ATOM 1433 C VAL A 86 1.204 4.377 7.267 1.00 31.10 C ATOM 1434 O VAL A 86 1.744 5.246 7.951 1.00 0.54 O ATOM 1435 CB VAL A 86 0.618 4.709 4.839 1.00 25.10 C ATOM 1436 CG1 VAL A 86 0.246 6.131 5.232 1.00 4.41 C ATOM 1437 CG2 VAL A 86 1.168 4.676 3.421 1.00 22.12 C ATOM 0 H VAL A 86 1.248 2.292 4.844 1.00 30.25 H new ATOM 0 HA VAL A 86 2.609 4.585 5.654 1.00 44.01 H new ATOM 0 HB VAL A 86 -0.286 4.102 4.879 1.00 25.10 H new ATOM 0 HG11 VAL A 86 -0.477 6.528 4.519 1.00 4.41 H new ATOM 0 HG12 VAL A 86 -0.192 6.130 6.230 1.00 4.41 H new ATOM 0 HG13 VAL A 86 1.140 6.755 5.228 1.00 4.41 H new ATOM 0 HG21 VAL A 86 0.435 5.103 2.736 1.00 22.12 H new ATOM 0 HG22 VAL A 86 2.089 5.257 3.374 1.00 22.12 H new ATOM 0 HG23 VAL A 86 1.375 3.645 3.135 1.00 22.12 H new ATOM 1447 N SER A 87 0.243 3.591 7.714 1.00 3.41 N ATOM 1448 CA SER A 87 -0.261 3.654 9.073 1.00 33.21 C ATOM 1449 C SER A 87 0.836 3.316 10.091 1.00 13.33 C ATOM 1450 O SER A 87 0.897 3.909 11.170 1.00 11.31 O ATOM 1451 CB SER A 87 -1.454 2.698 9.187 1.00 23.34 C ATOM 1452 OG SER A 87 -2.679 3.371 8.921 1.00 45.34 O ATOM 0 H SER A 87 -0.214 2.884 7.138 1.00 3.41 H new ATOM 0 HA SER A 87 -0.586 4.669 9.300 1.00 33.21 H new ATOM 0 HB2 SER A 87 -1.330 1.872 8.486 1.00 23.34 H new ATOM 0 HB3 SER A 87 -1.483 2.266 10.187 1.00 23.34 H new ATOM 0 HG SER A 87 -3.423 2.738 8.999 1.00 45.34 H new ATOM 1458 N ALA A 88 1.711 2.380 9.737 1.00 4.42 N ATOM 1459 CA ALA A 88 2.841 2.022 10.591 1.00 35.55 C ATOM 1460 C ALA A 88 3.937 3.091 10.534 1.00 3.12 C ATOM 1461 O ALA A 88 4.655 3.315 11.511 1.00 54.22 O ATOM 1462 CB ALA A 88 3.399 0.667 10.182 1.00 41.42 C ATOM 0 H ALA A 88 1.660 1.855 8.864 1.00 4.42 H new ATOM 0 HA ALA A 88 2.485 1.962 11.619 1.00 35.55 H new ATOM 0 HB1 ALA A 88 4.241 0.411 10.825 1.00 41.42 H new ATOM 0 HB2 ALA A 88 2.622 -0.091 10.281 1.00 41.42 H new ATOM 0 HB3 ALA A 88 3.734 0.709 9.146 1.00 41.42 H new ATOM 1468 N ALA A 89 4.047 3.752 9.386 1.00 2.21 N ATOM 1469 CA ALA A 89 5.042 4.800 9.172 1.00 12.42 C ATOM 1470 C ALA A 89 4.761 6.006 10.045 1.00 70.31 C ATOM 1471 O ALA A 89 5.648 6.817 10.306 1.00 51.30 O ATOM 1472 CB ALA A 89 5.092 5.203 7.704 1.00 32.44 C ATOM 0 H ALA A 89 3.450 3.577 8.578 1.00 2.21 H new ATOM 0 HA ALA A 89 6.016 4.399 9.454 1.00 12.42 H new ATOM 0 HB1 ALA A 89 5.839 5.985 7.566 1.00 32.44 H new ATOM 0 HB2 ALA A 89 5.357 4.337 7.098 1.00 32.44 H new ATOM 0 HB3 ALA A 89 4.115 5.576 7.396 1.00 32.44 H new ATOM 1478 N ILE A 90 3.520 6.145 10.459 1.00 43.54 N ATOM 1479 CA ILE A 90 3.147 7.200 11.379 1.00 50.20 C ATOM 1480 C ILE A 90 3.615 6.855 12.794 1.00 33.43 C ATOM 1481 O ILE A 90 3.943 7.736 13.593 1.00 73.41 O ATOM 1482 CB ILE A 90 1.619 7.431 11.368 1.00 21.41 C ATOM 1483 CG1 ILE A 90 1.152 7.798 9.954 1.00 3.33 C ATOM 1484 CG2 ILE A 90 1.225 8.519 12.362 1.00 24.54 C ATOM 1485 CD1 ILE A 90 -0.351 7.907 9.815 1.00 2.21 C ATOM 0 H ILE A 90 2.750 5.540 10.173 1.00 43.54 H new ATOM 0 HA ILE A 90 3.634 8.120 11.056 1.00 50.20 H new ATOM 0 HB ILE A 90 1.128 6.506 11.671 1.00 21.41 H new ATOM 0 HG12 ILE A 90 1.604 8.748 9.668 1.00 3.33 H new ATOM 0 HG13 ILE A 90 1.519 7.047 9.254 1.00 3.33 H new ATOM 0 HG21 ILE A 90 0.145 8.663 12.335 1.00 24.54 H new ATOM 0 HG22 ILE A 90 1.527 8.221 13.366 1.00 24.54 H new ATOM 0 HG23 ILE A 90 1.722 9.452 12.096 1.00 24.54 H new ATOM 0 HD11 ILE A 90 -0.603 8.169 8.788 1.00 2.21 H new ATOM 0 HD12 ILE A 90 -0.810 6.952 10.069 1.00 2.21 H new ATOM 0 HD13 ILE A 90 -0.724 8.679 10.488 1.00 2.21 H new ATOM 1497 N LYS A 91 3.663 5.560 13.088 1.00 15.54 N ATOM 1498 CA LYS A 91 4.039 5.088 14.413 1.00 21.41 C ATOM 1499 C LYS A 91 5.546 5.144 14.604 1.00 31.10 C ATOM 1500 O LYS A 91 6.035 5.592 15.641 1.00 11.02 O ATOM 1501 CB LYS A 91 3.544 3.657 14.627 1.00 45.53 C ATOM 1502 CG LYS A 91 2.030 3.518 14.630 1.00 65.11 C ATOM 1503 CD LYS A 91 1.402 4.353 15.732 1.00 54.41 C ATOM 1504 CE LYS A 91 -0.094 4.108 15.838 1.00 23.55 C ATOM 1505 NZ LYS A 91 -0.717 4.978 16.867 1.00 12.05 N ATOM 0 H LYS A 91 3.445 4.818 12.423 1.00 15.54 H new ATOM 0 HA LYS A 91 3.572 5.744 15.148 1.00 21.41 H new ATOM 0 HB2 LYS A 91 3.955 3.021 13.843 1.00 45.53 H new ATOM 0 HB3 LYS A 91 3.934 3.287 15.575 1.00 45.53 H new ATOM 0 HG2 LYS A 91 1.632 3.828 13.664 1.00 65.11 H new ATOM 0 HG3 LYS A 91 1.759 2.471 14.765 1.00 65.11 H new ATOM 0 HD2 LYS A 91 1.878 4.117 16.684 1.00 54.41 H new ATOM 0 HD3 LYS A 91 1.585 5.410 15.537 1.00 54.41 H new ATOM 0 HE2 LYS A 91 -0.563 4.293 14.872 1.00 23.55 H new ATOM 0 HE3 LYS A 91 -0.276 3.062 16.086 1.00 23.55 H new ATOM 0 HZ1 LYS A 91 -1.738 4.785 16.913 1.00 12.05 H new ATOM 0 HZ2 LYS A 91 -0.286 4.784 17.793 1.00 12.05 H new ATOM 0 HZ3 LYS A 91 -0.564 5.976 16.617 1.00 12.05 H new ATOM 1519 N LYS A 92 6.278 4.682 13.602 1.00 24.03 N ATOM 1520 CA LYS A 92 7.724 4.722 13.635 1.00 5.10 C ATOM 1521 C LYS A 92 8.294 4.769 12.223 1.00 12.52 C ATOM 1522 O LYS A 92 8.929 3.825 11.755 1.00 73.12 O ATOM 1523 CB LYS A 92 8.279 3.516 14.392 1.00 62.13 C ATOM 1524 CG LYS A 92 7.764 2.167 13.908 1.00 71.32 C ATOM 1525 CD LYS A 92 8.526 1.033 14.568 1.00 75.34 C ATOM 1526 CE LYS A 92 8.114 -0.324 14.024 1.00 12.21 C ATOM 1527 NZ LYS A 92 8.897 -1.420 14.655 1.00 23.21 N ATOM 0 H LYS A 92 5.887 4.273 12.753 1.00 24.03 H new ATOM 0 HA LYS A 92 8.026 5.629 14.159 1.00 5.10 H new ATOM 0 HB2 LYS A 92 9.366 3.524 14.313 1.00 62.13 H new ATOM 0 HB3 LYS A 92 8.035 3.624 15.449 1.00 62.13 H new ATOM 0 HG2 LYS A 92 6.701 2.076 14.132 1.00 71.32 H new ATOM 0 HG3 LYS A 92 7.868 2.100 12.825 1.00 71.32 H new ATOM 0 HD2 LYS A 92 9.595 1.176 14.412 1.00 75.34 H new ATOM 0 HD3 LYS A 92 8.354 1.059 15.644 1.00 75.34 H new ATOM 0 HE2 LYS A 92 7.051 -0.483 14.205 1.00 12.21 H new ATOM 0 HE3 LYS A 92 8.260 -0.345 12.944 1.00 12.21 H new ATOM 0 HZ1 LYS A 92 8.593 -2.334 14.263 1.00 23.21 H new ATOM 0 HZ2 LYS A 92 9.909 -1.280 14.461 1.00 23.21 H new ATOM 0 HZ3 LYS A 92 8.737 -1.414 15.683 1.00 23.21 H new ATOM 1541 N GLY A 93 8.043 5.865 11.535 1.00 20.54 N ATOM 1542 CA GLY A 93 8.559 6.020 10.195 1.00 1.25 C ATOM 1543 C GLY A 93 8.932 7.451 9.886 1.00 14.50 C ATOM 1544 O GLY A 93 10.058 7.875 10.144 1.00 3.12 O ATOM 0 H GLY A 93 7.491 6.651 11.879 1.00 20.54 H new ATOM 0 HA2 GLY A 93 9.435 5.383 10.069 1.00 1.25 H new ATOM 0 HA3 GLY A 93 7.812 5.679 9.479 1.00 1.25 H new ATOM 1548 N TYR A 94 7.979 8.201 9.354 1.00 54.14 N ATOM 1549 CA TYR A 94 8.235 9.568 8.933 1.00 44.21 C ATOM 1550 C TYR A 94 6.929 10.328 8.735 1.00 52.13 C ATOM 1551 O TYR A 94 6.878 11.545 8.901 1.00 43.40 O ATOM 1552 CB TYR A 94 9.033 9.571 7.631 1.00 74.51 C ATOM 1553 CG TYR A 94 9.729 10.884 7.345 1.00 61.22 C ATOM 1554 CD1 TYR A 94 10.961 11.180 7.919 1.00 41.32 C ATOM 1555 CD2 TYR A 94 9.153 11.831 6.508 1.00 24.42 C ATOM 1556 CE1 TYR A 94 11.598 12.378 7.663 1.00 30.40 C ATOM 1557 CE2 TYR A 94 9.785 13.032 6.250 1.00 1.42 C ATOM 1558 CZ TYR A 94 11.007 13.301 6.831 1.00 51.22 C ATOM 1559 OH TYR A 94 11.637 14.496 6.572 1.00 31.04 O ATOM 0 H TYR A 94 7.021 7.885 9.204 1.00 54.14 H new ATOM 0 HA TYR A 94 8.811 10.064 9.714 1.00 44.21 H new ATOM 0 HB2 TYR A 94 9.778 8.776 7.670 1.00 74.51 H new ATOM 0 HB3 TYR A 94 8.362 9.338 6.804 1.00 74.51 H new ATOM 0 HD1 TYR A 94 11.427 10.461 8.576 1.00 41.32 H new ATOM 0 HD2 TYR A 94 8.196 11.625 6.052 1.00 24.42 H new ATOM 0 HE1 TYR A 94 12.556 12.590 8.114 1.00 30.40 H new ATOM 0 HE2 TYR A 94 9.324 13.758 5.596 1.00 1.42 H new ATOM 0 HH TYR A 94 11.085 15.032 5.965 1.00 31.04 H new ATOM 1569 N MET A 95 5.877 9.607 8.371 1.00 53.35 N ATOM 1570 CA MET A 95 4.589 10.223 8.115 1.00 24.42 C ATOM 1571 C MET A 95 3.882 10.529 9.425 1.00 34.05 C ATOM 1572 O MET A 95 4.136 9.882 10.439 1.00 53.23 O ATOM 1573 CB MET A 95 3.727 9.302 7.253 1.00 22.44 C ATOM 1574 CG MET A 95 4.334 8.986 5.894 1.00 51.31 C ATOM 1575 SD MET A 95 3.253 7.980 4.860 1.00 41.55 S ATOM 1576 CE MET A 95 1.917 9.135 4.541 1.00 63.54 C ATOM 0 H MET A 95 5.894 8.595 8.247 1.00 53.35 H new ATOM 0 HA MET A 95 4.749 11.158 7.578 1.00 24.42 H new ATOM 0 HB2 MET A 95 3.559 8.369 7.791 1.00 22.44 H new ATOM 0 HB3 MET A 95 2.752 9.766 7.106 1.00 22.44 H new ATOM 0 HG2 MET A 95 4.559 9.919 5.376 1.00 51.31 H new ATOM 0 HG3 MET A 95 5.280 8.464 6.037 1.00 51.31 H new ATOM 0 HE1 MET A 95 1.352 8.806 3.669 1.00 63.54 H new ATOM 0 HE2 MET A 95 1.257 9.176 5.407 1.00 63.54 H new ATOM 0 HE3 MET A 95 2.330 10.126 4.353 1.00 63.54 H new ATOM 1586 N GLU A 96 3.011 11.522 9.405 1.00 52.50 N ATOM 1587 CA GLU A 96 2.274 11.905 10.597 1.00 5.33 C ATOM 1588 C GLU A 96 0.775 11.819 10.341 1.00 54.54 C ATOM 1589 O GLU A 96 0.011 11.346 11.181 1.00 25.24 O ATOM 1590 CB GLU A 96 2.659 13.320 11.022 1.00 60.02 C ATOM 1591 CG GLU A 96 2.199 13.682 12.424 1.00 74.34 C ATOM 1592 CD GLU A 96 2.652 15.063 12.840 1.00 71.25 C ATOM 1593 OE1 GLU A 96 3.874 15.317 12.836 1.00 43.42 O ATOM 1594 OE2 GLU A 96 1.792 15.896 13.198 1.00 13.12 O ATOM 0 H GLU A 96 2.796 12.078 8.577 1.00 52.50 H new ATOM 0 HA GLU A 96 2.529 11.217 11.403 1.00 5.33 H new ATOM 0 HB2 GLU A 96 3.743 13.425 10.966 1.00 60.02 H new ATOM 0 HB3 GLU A 96 2.233 14.031 10.314 1.00 60.02 H new ATOM 0 HG2 GLU A 96 1.111 13.630 12.472 1.00 74.34 H new ATOM 0 HG3 GLU A 96 2.585 12.948 13.131 1.00 74.34 H new ATOM 1601 N ASN A 97 0.363 12.276 9.172 1.00 11.44 N ATOM 1602 CA ASN A 97 -1.040 12.222 8.789 1.00 61.22 C ATOM 1603 C ASN A 97 -1.205 11.350 7.555 1.00 5.31 C ATOM 1604 O ASN A 97 -0.576 11.595 6.524 1.00 4.45 O ATOM 1605 CB ASN A 97 -1.599 13.622 8.516 1.00 24.03 C ATOM 1606 CG ASN A 97 -1.603 14.507 9.751 1.00 45.14 C ATOM 1607 OD1 ASN A 97 -1.657 14.024 10.882 1.00 63.43 O ATOM 1608 ND2 ASN A 97 -1.563 15.814 9.544 1.00 71.55 N ATOM 0 H ASN A 97 0.978 12.689 8.471 1.00 11.44 H new ATOM 0 HA ASN A 97 -1.600 11.791 9.619 1.00 61.22 H new ATOM 0 HB2 ASN A 97 -1.006 14.099 7.735 1.00 24.03 H new ATOM 0 HB3 ASN A 97 -2.616 13.534 8.135 1.00 24.03 H new ATOM 0 HD21 ASN A 97 -1.577 16.456 10.336 1.00 71.55 H new ATOM 0 HD22 ASN A 97 -1.519 16.179 8.592 1.00 71.55 H new ATOM 1615 N ASP A 98 -2.036 10.324 7.668 1.00 72.12 N ATOM 1616 CA ASP A 98 -2.270 9.403 6.575 1.00 63.12 C ATOM 1617 C ASP A 98 -3.232 10.016 5.569 1.00 40.33 C ATOM 1618 O ASP A 98 -4.105 10.799 5.934 1.00 2.31 O ATOM 1619 CB ASP A 98 -2.848 8.088 7.101 1.00 5.35 C ATOM 1620 CG ASP A 98 -4.023 8.283 8.046 1.00 25.35 C ATOM 1621 OD1 ASP A 98 -3.816 8.792 9.168 1.00 50.30 O ATOM 1622 OD2 ASP A 98 -5.157 7.919 7.665 1.00 72.34 O ATOM 0 H ASP A 98 -2.562 10.111 8.516 1.00 72.12 H new ATOM 0 HA ASP A 98 -1.318 9.202 6.085 1.00 63.12 H new ATOM 0 HB2 ASP A 98 -3.167 7.476 6.257 1.00 5.35 H new ATOM 0 HB3 ASP A 98 -2.063 7.535 7.617 1.00 5.35 H new ATOM 1627 N PRO A 99 -3.088 9.662 4.288 1.00 12.14 N ATOM 1628 CA PRO A 99 -3.927 10.202 3.207 1.00 52.01 C ATOM 1629 C PRO A 99 -5.404 9.837 3.367 1.00 55.33 C ATOM 1630 O PRO A 99 -6.286 10.507 2.829 1.00 45.05 O ATOM 1631 CB PRO A 99 -3.345 9.549 1.947 1.00 63.14 C ATOM 1632 CG PRO A 99 -2.630 8.340 2.437 1.00 33.44 C ATOM 1633 CD PRO A 99 -2.086 8.711 3.782 1.00 42.32 C ATOM 0 HA PRO A 99 -3.910 11.292 3.188 1.00 52.01 H new ATOM 0 HB2 PRO A 99 -4.131 9.284 1.241 1.00 63.14 H new ATOM 0 HB3 PRO A 99 -2.666 10.226 1.429 1.00 63.14 H new ATOM 0 HG2 PRO A 99 -3.305 7.488 2.509 1.00 33.44 H new ATOM 0 HG3 PRO A 99 -1.829 8.055 1.755 1.00 33.44 H new ATOM 0 HD2 PRO A 99 -1.988 7.842 4.433 1.00 42.32 H new ATOM 0 HD3 PRO A 99 -1.098 9.166 3.707 1.00 42.32 H new ATOM 1641 N PHE A 100 -5.666 8.787 4.131 1.00 55.41 N ATOM 1642 CA PHE A 100 -7.025 8.304 4.333 1.00 21.31 C ATOM 1643 C PHE A 100 -7.736 9.086 5.429 1.00 0.45 C ATOM 1644 O PHE A 100 -8.893 8.817 5.747 1.00 14.12 O ATOM 1645 CB PHE A 100 -7.008 6.818 4.673 1.00 60.23 C ATOM 1646 CG PHE A 100 -6.619 5.945 3.512 1.00 24.10 C ATOM 1647 CD1 PHE A 100 -5.284 5.715 3.219 1.00 33.34 C ATOM 1648 CD2 PHE A 100 -7.587 5.358 2.712 1.00 52.34 C ATOM 1649 CE1 PHE A 100 -4.922 4.915 2.152 1.00 72.41 C ATOM 1650 CE2 PHE A 100 -7.230 4.558 1.642 1.00 12.11 C ATOM 1651 CZ PHE A 100 -5.896 4.336 1.363 1.00 64.22 C ATOM 0 H PHE A 100 -4.952 8.251 4.624 1.00 55.41 H new ATOM 0 HA PHE A 100 -7.576 8.454 3.405 1.00 21.31 H new ATOM 0 HB2 PHE A 100 -6.312 6.649 5.495 1.00 60.23 H new ATOM 0 HB3 PHE A 100 -7.996 6.522 5.026 1.00 60.23 H new ATOM 0 HD1 PHE A 100 -4.518 6.166 3.832 1.00 33.34 H new ATOM 0 HD2 PHE A 100 -8.632 5.527 2.927 1.00 52.34 H new ATOM 0 HE1 PHE A 100 -3.878 4.743 1.935 1.00 72.41 H new ATOM 0 HE2 PHE A 100 -7.994 4.107 1.025 1.00 12.11 H new ATOM 0 HZ PHE A 100 -5.615 3.710 0.529 1.00 64.22 H new ATOM 1661 N LYS A 101 -7.029 10.042 6.010 1.00 31.11 N ATOM 1662 CA LYS A 101 -7.586 10.936 7.001 1.00 52.33 C ATOM 1663 C LYS A 101 -8.792 11.677 6.427 1.00 44.21 C ATOM 1664 O LYS A 101 -9.871 11.696 7.022 1.00 40.34 O ATOM 1665 CB LYS A 101 -6.491 11.922 7.417 1.00 3.35 C ATOM 1666 CG LYS A 101 -6.640 12.490 8.810 1.00 0.35 C ATOM 1667 CD LYS A 101 -7.823 13.422 8.924 1.00 12.43 C ATOM 1668 CE LYS A 101 -7.674 14.644 8.031 1.00 2.25 C ATOM 1669 NZ LYS A 101 -8.684 15.687 8.347 1.00 22.52 N ATOM 0 H LYS A 101 -6.046 10.217 5.803 1.00 31.11 H new ATOM 0 HA LYS A 101 -7.928 10.374 7.870 1.00 52.33 H new ATOM 0 HB2 LYS A 101 -5.526 11.421 7.346 1.00 3.35 H new ATOM 0 HB3 LYS A 101 -6.475 12.746 6.704 1.00 3.35 H new ATOM 0 HG2 LYS A 101 -6.753 11.673 9.523 1.00 0.35 H new ATOM 0 HG3 LYS A 101 -5.730 13.026 9.081 1.00 0.35 H new ATOM 0 HD2 LYS A 101 -8.734 12.886 8.656 1.00 12.43 H new ATOM 0 HD3 LYS A 101 -7.934 13.742 9.960 1.00 12.43 H new ATOM 0 HE2 LYS A 101 -6.673 15.060 8.149 1.00 2.25 H new ATOM 0 HE3 LYS A 101 -7.774 14.346 6.987 1.00 2.25 H new ATOM 0 HZ1 LYS A 101 -8.549 16.503 7.717 1.00 22.52 H new ATOM 0 HZ2 LYS A 101 -9.639 15.298 8.210 1.00 22.52 H new ATOM 0 HZ3 LYS A 101 -8.572 15.991 9.335 1.00 22.52 H new ATOM 1683 N ASP A 102 -8.598 12.278 5.262 1.00 42.23 N ATOM 1684 CA ASP A 102 -9.654 13.047 4.613 1.00 2.23 C ATOM 1685 C ASP A 102 -10.347 12.218 3.544 1.00 54.51 C ATOM 1686 O ASP A 102 -11.510 12.453 3.209 1.00 1.10 O ATOM 1687 CB ASP A 102 -9.079 14.323 3.990 1.00 40.20 C ATOM 1688 CG ASP A 102 -10.146 15.179 3.335 1.00 72.12 C ATOM 1689 OD1 ASP A 102 -10.797 15.969 4.050 1.00 60.33 O ATOM 1690 OD2 ASP A 102 -10.343 15.064 2.107 1.00 21.34 O ATOM 0 H ASP A 102 -7.719 12.249 4.745 1.00 42.23 H new ATOM 0 HA ASP A 102 -10.388 13.320 5.371 1.00 2.23 H new ATOM 0 HB2 ASP A 102 -8.573 14.904 4.761 1.00 40.20 H new ATOM 0 HB3 ASP A 102 -8.327 14.055 3.248 1.00 40.20 H new ATOM 1695 N PHE A 103 -9.633 11.233 3.031 1.00 21.01 N ATOM 1696 CA PHE A 103 -10.149 10.395 1.958 1.00 33.13 C ATOM 1697 C PHE A 103 -11.145 9.377 2.511 1.00 34.25 C ATOM 1698 O PHE A 103 -10.817 8.212 2.734 1.00 73.03 O ATOM 1699 CB PHE A 103 -9.001 9.693 1.221 1.00 15.12 C ATOM 1700 CG PHE A 103 -9.417 8.991 -0.044 1.00 31.12 C ATOM 1701 CD1 PHE A 103 -9.740 9.718 -1.180 1.00 32.54 C ATOM 1702 CD2 PHE A 103 -9.484 7.607 -0.097 1.00 20.21 C ATOM 1703 CE1 PHE A 103 -10.120 9.078 -2.344 1.00 11.11 C ATOM 1704 CE2 PHE A 103 -9.863 6.963 -1.259 1.00 73.33 C ATOM 1705 CZ PHE A 103 -10.182 7.699 -2.384 1.00 35.31 C ATOM 0 H PHE A 103 -8.691 10.991 3.339 1.00 21.01 H new ATOM 0 HA PHE A 103 -10.671 11.030 1.242 1.00 33.13 H new ATOM 0 HB2 PHE A 103 -8.235 10.430 0.979 1.00 15.12 H new ATOM 0 HB3 PHE A 103 -8.544 8.967 1.893 1.00 15.12 H new ATOM 0 HD1 PHE A 103 -9.694 10.797 -1.154 1.00 32.54 H new ATOM 0 HD2 PHE A 103 -9.237 7.026 0.780 1.00 20.21 H new ATOM 0 HE1 PHE A 103 -10.368 9.656 -3.222 1.00 11.11 H new ATOM 0 HE2 PHE A 103 -9.910 5.884 -1.288 1.00 73.33 H new ATOM 0 HZ PHE A 103 -10.479 7.197 -3.293 1.00 35.31 H new ATOM 1715 N GLY A 104 -12.350 9.852 2.780 1.00 30.12 N ATOM 1716 CA GLY A 104 -13.412 8.999 3.246 1.00 54.32 C ATOM 1717 C GLY A 104 -14.497 9.805 3.920 1.00 30.34 C ATOM 1718 O GLY A 104 -15.046 10.732 3.320 1.00 63.21 O ATOM 0 H GLY A 104 -12.611 10.833 2.680 1.00 30.12 H new ATOM 0 HA2 GLY A 104 -13.833 8.445 2.407 1.00 54.32 H new ATOM 0 HA3 GLY A 104 -13.013 8.264 3.945 1.00 54.32 H new ATOM 1722 N LEU A 105 -14.757 9.477 5.177 1.00 44.02 N ATOM 1723 CA LEU A 105 -15.798 10.123 5.971 1.00 52.11 C ATOM 1724 C LEU A 105 -17.149 10.049 5.265 1.00 54.04 C ATOM 1725 O LEU A 105 -17.575 10.994 4.606 1.00 4.33 O ATOM 1726 CB LEU A 105 -15.428 11.580 6.276 1.00 53.44 C ATOM 1727 CG LEU A 105 -14.137 11.766 7.077 1.00 51.15 C ATOM 1728 CD1 LEU A 105 -13.828 13.245 7.258 1.00 31.13 C ATOM 1729 CD2 LEU A 105 -14.247 11.075 8.428 1.00 34.44 C ATOM 0 H LEU A 105 -14.249 8.750 5.681 1.00 44.02 H new ATOM 0 HA LEU A 105 -15.879 9.586 6.916 1.00 52.11 H new ATOM 0 HB2 LEU A 105 -15.334 12.120 5.334 1.00 53.44 H new ATOM 0 HB3 LEU A 105 -16.249 12.040 6.827 1.00 53.44 H new ATOM 0 HG LEU A 105 -13.318 11.310 6.521 1.00 51.15 H new ATOM 0 HD11 LEU A 105 -12.907 13.357 7.830 1.00 31.13 H new ATOM 0 HD12 LEU A 105 -13.708 13.714 6.281 1.00 31.13 H new ATOM 0 HD13 LEU A 105 -14.648 13.725 7.793 1.00 31.13 H new ATOM 0 HD21 LEU A 105 -13.321 11.216 8.985 1.00 34.44 H new ATOM 0 HD22 LEU A 105 -15.078 11.503 8.989 1.00 34.44 H new ATOM 0 HD23 LEU A 105 -14.421 10.009 8.279 1.00 34.44 H new ATOM 1741 N GLU A 106 -17.809 8.908 5.392 1.00 34.22 N ATOM 1742 CA GLU A 106 -19.106 8.697 4.757 1.00 33.42 C ATOM 1743 C GLU A 106 -20.247 8.916 5.749 1.00 23.41 C ATOM 1744 O GLU A 106 -21.259 8.212 5.724 1.00 32.21 O ATOM 1745 CB GLU A 106 -19.189 7.291 4.137 1.00 53.35 C ATOM 1746 CG GLU A 106 -18.253 6.257 4.756 1.00 41.52 C ATOM 1747 CD GLU A 106 -18.467 6.081 6.240 1.00 52.04 C ATOM 1748 OE1 GLU A 106 -19.474 5.456 6.632 1.00 52.11 O ATOM 1749 OE2 GLU A 106 -17.629 6.575 7.022 1.00 42.10 O ATOM 0 H GLU A 106 -17.469 8.111 5.930 1.00 34.22 H new ATOM 0 HA GLU A 106 -19.209 9.431 3.958 1.00 33.42 H new ATOM 0 HB2 GLU A 106 -20.214 6.931 4.226 1.00 53.35 H new ATOM 0 HB3 GLU A 106 -18.969 7.366 3.072 1.00 53.35 H new ATOM 0 HG2 GLU A 106 -18.399 5.299 4.257 1.00 41.52 H new ATOM 0 HG3 GLU A 106 -17.220 6.556 4.576 1.00 41.52 H new ATOM 1756 N HIS A 107 -20.081 9.913 6.611 1.00 22.15 N ATOM 1757 CA HIS A 107 -21.093 10.262 7.599 1.00 64.22 C ATOM 1758 C HIS A 107 -21.086 11.758 7.865 1.00 53.31 C ATOM 1759 O HIS A 107 -20.109 12.442 7.559 1.00 43.32 O ATOM 1760 CB HIS A 107 -20.867 9.505 8.912 1.00 72.32 C ATOM 1761 CG HIS A 107 -21.458 8.129 8.924 1.00 45.31 C ATOM 1762 ND1 HIS A 107 -20.724 6.990 9.169 1.00 21.30 N ATOM 1763 CD2 HIS A 107 -22.734 7.716 8.739 1.00 4.23 C ATOM 1764 CE1 HIS A 107 -21.520 5.940 9.134 1.00 71.24 C ATOM 1765 NE2 HIS A 107 -22.744 6.352 8.875 1.00 13.13 N ATOM 0 H HIS A 107 -19.246 10.498 6.644 1.00 22.15 H new ATOM 0 HA HIS A 107 -22.063 9.974 7.194 1.00 64.22 H new ATOM 0 HB2 HIS A 107 -19.796 9.432 9.099 1.00 72.32 H new ATOM 0 HB3 HIS A 107 -21.295 10.082 9.732 1.00 72.32 H new ATOM 0 HD2 HIS A 107 -23.586 8.344 8.524 1.00 4.23 H new ATOM 0 HE1 HIS A 107 -21.219 4.915 9.291 1.00 71.24 H new ATOM 0 HE2 HIS A 107 -23.566 5.754 8.790 1.00 13.13 H new ATOM 1774 N HIS A 108 -22.192 12.247 8.429 1.00 23.20 N ATOM 1775 CA HIS A 108 -22.333 13.646 8.840 1.00 2.43 C ATOM 1776 C HIS A 108 -22.398 14.596 7.645 1.00 45.14 C ATOM 1777 O HIS A 108 -21.376 14.972 7.073 1.00 44.53 O ATOM 1778 CB HIS A 108 -21.197 14.061 9.789 1.00 44.15 C ATOM 1779 CG HIS A 108 -21.274 15.489 10.251 1.00 34.35 C ATOM 1780 ND1 HIS A 108 -20.492 16.492 9.722 1.00 63.23 N ATOM 1781 CD2 HIS A 108 -22.041 16.079 11.200 1.00 11.33 C ATOM 1782 CE1 HIS A 108 -20.775 17.632 10.321 1.00 14.41 C ATOM 1783 NE2 HIS A 108 -21.710 17.411 11.223 1.00 22.34 N ATOM 0 H HIS A 108 -23.020 11.681 8.615 1.00 23.20 H new ATOM 0 HA HIS A 108 -23.281 13.722 9.373 1.00 2.43 H new ATOM 0 HB2 HIS A 108 -21.209 13.407 10.661 1.00 44.15 H new ATOM 0 HB3 HIS A 108 -20.243 13.904 9.286 1.00 44.15 H new ATOM 0 HD2 HIS A 108 -22.776 15.591 11.823 1.00 11.33 H new ATOM 0 HE1 HIS A 108 -20.317 18.587 10.108 1.00 14.41 H new ATOM 0 HE2 HIS A 108 -22.120 18.114 11.837 1.00 22.34 H new ATOM 1792 N HIS A 109 -23.611 14.976 7.271 1.00 43.42 N ATOM 1793 CA HIS A 109 -23.804 16.019 6.271 1.00 35.05 C ATOM 1794 C HIS A 109 -25.009 16.887 6.617 1.00 70.35 C ATOM 1795 O HIS A 109 -25.914 17.076 5.812 1.00 21.32 O ATOM 1796 CB HIS A 109 -23.915 15.452 4.841 1.00 64.22 C ATOM 1797 CG HIS A 109 -24.885 14.320 4.655 1.00 32.03 C ATOM 1798 ND1 HIS A 109 -24.532 13.145 4.035 1.00 0.11 N ATOM 1799 CD2 HIS A 109 -26.199 14.198 4.965 1.00 40.41 C ATOM 1800 CE1 HIS A 109 -25.581 12.351 3.967 1.00 54.32 C ATOM 1801 NE2 HIS A 109 -26.611 12.964 4.523 1.00 1.13 N ATOM 0 H HIS A 109 -24.474 14.580 7.643 1.00 43.42 H new ATOM 0 HA HIS A 109 -22.913 16.646 6.288 1.00 35.05 H new ATOM 0 HB2 HIS A 109 -24.201 16.263 4.171 1.00 64.22 H new ATOM 0 HB3 HIS A 109 -22.927 15.113 4.528 1.00 64.22 H new ATOM 0 HD2 HIS A 109 -26.809 14.935 5.467 1.00 40.41 H new ATOM 0 HE1 HIS A 109 -25.596 11.364 3.530 1.00 54.32 H new ATOM 0 HE2 HIS A 109 -27.554 12.585 4.610 1.00 1.13 H new ATOM 1810 N HIS A 110 -25.015 17.399 7.838 1.00 70.03 N ATOM 1811 CA HIS A 110 -26.025 18.359 8.257 1.00 30.21 C ATOM 1812 C HIS A 110 -25.355 19.654 8.672 1.00 21.23 C ATOM 1813 O HIS A 110 -25.306 19.991 9.853 1.00 33.32 O ATOM 1814 CB HIS A 110 -26.882 17.825 9.409 1.00 52.42 C ATOM 1815 CG HIS A 110 -28.006 16.938 8.972 1.00 61.10 C ATOM 1816 ND1 HIS A 110 -29.311 17.368 8.881 1.00 30.55 N ATOM 1817 CD2 HIS A 110 -28.018 15.636 8.614 1.00 72.53 C ATOM 1818 CE1 HIS A 110 -30.074 16.371 8.487 1.00 21.35 C ATOM 1819 NE2 HIS A 110 -29.315 15.306 8.317 1.00 22.35 N ATOM 0 H HIS A 110 -24.331 17.165 8.557 1.00 70.03 H new ATOM 0 HA HIS A 110 -26.687 18.536 7.410 1.00 30.21 H new ATOM 0 HB2 HIS A 110 -26.243 17.272 10.097 1.00 52.42 H new ATOM 0 HB3 HIS A 110 -27.293 18.669 9.964 1.00 52.42 H new ATOM 0 HD2 HIS A 110 -27.164 14.977 8.570 1.00 72.53 H new ATOM 0 HE1 HIS A 110 -31.141 16.417 8.329 1.00 21.35 H new ATOM 0 HE2 HIS A 110 -29.640 14.388 8.014 1.00 22.35 H new ATOM 1828 N HIS A 111 -24.794 20.353 7.702 1.00 10.02 N ATOM 1829 CA HIS A 111 -24.139 21.618 7.972 1.00 35.42 C ATOM 1830 C HIS A 111 -25.117 22.752 7.738 1.00 5.50 C ATOM 1831 O HIS A 111 -25.362 23.155 6.601 1.00 52.02 O ATOM 1832 CB HIS A 111 -22.905 21.793 7.086 1.00 72.45 C ATOM 1833 CG HIS A 111 -21.974 22.867 7.555 1.00 34.21 C ATOM 1834 ND1 HIS A 111 -22.044 24.174 7.122 1.00 13.21 N ATOM 1835 CD2 HIS A 111 -20.930 22.815 8.412 1.00 64.35 C ATOM 1836 CE1 HIS A 111 -21.079 24.875 7.689 1.00 51.44 C ATOM 1837 NE2 HIS A 111 -20.388 24.074 8.477 1.00 70.33 N ATOM 0 H HIS A 111 -24.779 20.066 6.723 1.00 10.02 H new ATOM 0 HA HIS A 111 -23.811 21.629 9.012 1.00 35.42 H new ATOM 0 HB2 HIS A 111 -22.363 20.848 7.043 1.00 72.45 H new ATOM 0 HB3 HIS A 111 -23.228 22.022 6.070 1.00 72.45 H new ATOM 0 HD2 HIS A 111 -20.586 21.943 8.947 1.00 64.35 H new ATOM 0 HE1 HIS A 111 -20.888 25.927 7.534 1.00 51.44 H new ATOM 0 HE2 HIS A 111 -19.583 24.346 9.042 1.00 70.33 H new ATOM 1846 N HIS A 112 -25.694 23.238 8.817 1.00 11.52 N ATOM 1847 CA HIS A 112 -26.664 24.312 8.748 1.00 64.13 C ATOM 1848 C HIS A 112 -25.963 25.647 8.948 1.00 73.12 C ATOM 1849 O HIS A 112 -25.644 26.305 7.941 1.00 38.07 O ATOM 1850 CB HIS A 112 -27.753 24.100 9.806 1.00 33.21 C ATOM 1851 CG HIS A 112 -28.838 25.129 9.786 1.00 71.51 C ATOM 1852 ND1 HIS A 112 -29.071 25.991 10.830 1.00 32.13 N ATOM 1853 CD2 HIS A 112 -29.777 25.408 8.853 1.00 35.21 C ATOM 1854 CE1 HIS A 112 -30.106 26.755 10.546 1.00 51.52 C ATOM 1855 NE2 HIS A 112 -30.556 26.422 9.351 1.00 4.34 N ATOM 1856 OXT HIS A 112 -25.695 26.005 10.113 1.00 38.07 O ATOM 0 H HIS A 112 -25.506 22.902 9.762 1.00 11.52 H new ATOM 0 HA HIS A 112 -27.138 24.314 7.767 1.00 64.13 H new ATOM 0 HB2 HIS A 112 -28.199 23.116 9.660 1.00 33.21 H new ATOM 0 HB3 HIS A 112 -27.289 24.097 10.792 1.00 33.21 H new ATOM 0 HD2 HIS A 112 -29.892 24.923 7.895 1.00 35.21 H new ATOM 0 HE1 HIS A 112 -30.517 27.524 11.183 1.00 51.52 H new ATOM 0 HE2 HIS A 112 -31.352 26.848 8.876 1.00 4.34 H new TER 1865 HIS A 112