USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=36 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 80 SER OG : rot 180:sc= 0.251 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -118:sc= 1.06 (180deg=-1.39!) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.98) USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 SER OG : rot -160:sc= -2.23! USER MOD Set 4.1: A 33 HIS : no HE2:sc= 0.191 K(o=2.1,f=-2.4!) USER MOD Set 4.2: A 81 THR OG1 : rot 57:sc= 1.88 USER MOD Set 5.1: A 9 SER OG : rot -61:sc= 0.756 USER MOD Set 5.2: A 11 HIS : no HD1:sc= -0.823 K(o=-0.067,f=-0.66) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0374 (180deg=-0.153) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 16 SER OG : rot -160:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -157:sc= -0.162 (180deg=-0.687) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.3!) USER MOD Single : A 36 CYS SG : rot 129:sc= 0.323 USER MOD Single : A 37 MET CE :methyl -123:sc= -2 (180deg=-2.33!) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0578) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc=-0.00555 (180deg=-0.168) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.414 F(o=-4.4!,f=-0.41) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -160:sc= -0.187 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 17:sc= 0.167 USER MOD Single : A 64 MET CE :methyl 150:sc= -1.72 (180deg=-4.43!) 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 158:sc= 0.00463 USER MOD Single : A 69 CYS SG : rot 52:sc= 0.533 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.029) USER MOD Single : A 78 ASN : amide:sc= 0.256 K(o=0.26,f=-1.2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 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 -151:sc= 0 (180deg=-0.895) USER MOD Single : A 97 ASN : amide:sc=-0.00147 K(o=-0.0015,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.13) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) 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 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.26) USER MOD Single : A 111 HIS : no HD1:sc=-0.00514 X(o=-0.0051,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.644 3.653 15.688 1.00 31.23 N ATOM 2 CA MET A 1 15.703 2.922 14.406 1.00 24.14 C ATOM 3 C MET A 1 16.276 1.531 14.625 1.00 61.04 C ATOM 4 O MET A 1 17.005 1.293 15.590 1.00 2.44 O ATOM 5 CB MET A 1 16.544 3.693 13.382 1.00 40.12 C ATOM 6 CG MET A 1 17.984 3.918 13.813 1.00 4.13 C ATOM 7 SD MET A 1 18.924 4.905 12.630 1.00 11.33 S ATOM 8 CE MET A 1 20.498 5.015 13.477 1.00 5.33 C ATOM 0 H1 MET A 1 16.001 4.620 15.553 1.00 31.23 H new ATOM 0 H2 MET A 1 14.660 3.690 16.021 1.00 31.23 H new ATOM 0 H3 MET A 1 16.230 3.163 16.394 1.00 31.23 H new ATOM 0 HA MET A 1 14.691 2.827 14.013 1.00 24.14 H new ATOM 0 HB2 MET A 1 16.538 3.148 12.438 1.00 40.12 H new ATOM 0 HB3 MET A 1 16.076 4.659 13.195 1.00 40.12 H new ATOM 0 HG2 MET A 1 17.994 4.415 14.783 1.00 4.13 H new ATOM 0 HG3 MET A 1 18.474 2.953 13.944 1.00 4.13 H new ATOM 0 HE1 MET A 1 21.195 5.597 12.875 1.00 5.33 H new ATOM 0 HE2 MET A 1 20.358 5.502 14.442 1.00 5.33 H new ATOM 0 HE3 MET A 1 20.899 4.013 13.630 1.00 5.33 H new ATOM 20 N ASN A 2 15.927 0.611 13.745 1.00 24.43 N ATOM 21 CA ASN A 2 16.409 -0.760 13.838 1.00 1.43 C ATOM 22 C ASN A 2 16.908 -1.227 12.480 1.00 73.10 C ATOM 23 O ASN A 2 18.094 -1.515 12.304 1.00 33.14 O ATOM 24 CB ASN A 2 15.302 -1.698 14.339 1.00 34.13 C ATOM 25 CG ASN A 2 14.825 -1.358 15.740 1.00 35.34 C ATOM 26 OD1 ASN A 2 13.921 -0.542 15.927 1.00 2.24 O ATOM 27 ND2 ASN A 2 15.411 -1.994 16.740 1.00 73.41 N ATOM 0 H ASN A 2 15.309 0.787 12.953 1.00 24.43 H new ATOM 0 HA ASN A 2 17.231 -0.786 14.554 1.00 1.43 H new ATOM 0 HB2 ASN A 2 14.457 -1.653 13.652 1.00 34.13 H new ATOM 0 HB3 ASN A 2 15.669 -2.724 14.325 1.00 34.13 H new ATOM 0 HD21 ASN A 2 15.117 -1.815 17.700 1.00 73.41 H new ATOM 0 HD22 ASN A 2 16.157 -2.664 16.551 1.00 73.41 H new ATOM 34 N ASN A 3 16.002 -1.276 11.516 1.00 25.34 N ATOM 35 CA ASN A 3 16.344 -1.691 10.165 1.00 51.42 C ATOM 36 C ASN A 3 16.720 -0.480 9.322 1.00 42.34 C ATOM 37 O ASN A 3 16.150 0.600 9.490 1.00 70.25 O ATOM 38 CB ASN A 3 15.170 -2.429 9.512 1.00 75.45 C ATOM 39 CG ASN A 3 14.872 -3.756 10.177 1.00 3.24 C ATOM 40 OD1 ASN A 3 14.109 -3.823 11.142 1.00 31.34 O ATOM 41 ND2 ASN A 3 15.457 -4.823 9.657 1.00 53.12 N ATOM 0 H ASN A 3 15.020 -1.032 11.645 1.00 25.34 H new ATOM 0 HA ASN A 3 17.196 -2.368 10.222 1.00 51.42 H new ATOM 0 HB2 ASN A 3 14.282 -1.799 9.554 1.00 75.45 H new ATOM 0 HB3 ASN A 3 15.393 -2.597 8.458 1.00 75.45 H new ATOM 0 HD21 ASN A 3 15.283 -5.745 10.056 1.00 53.12 H new ATOM 0 HD22 ASN A 3 16.082 -4.723 8.857 1.00 53.12 H new ATOM 48 N PRO A 4 17.691 -0.643 8.415 1.00 51.22 N ATOM 49 CA PRO A 4 18.102 0.414 7.497 1.00 22.22 C ATOM 50 C PRO A 4 17.094 0.601 6.369 1.00 24.51 C ATOM 51 O PRO A 4 16.226 -0.251 6.153 1.00 0.41 O ATOM 52 CB PRO A 4 19.445 -0.080 6.931 1.00 31.43 C ATOM 53 CG PRO A 4 19.774 -1.329 7.687 1.00 21.10 C ATOM 54 CD PRO A 4 18.474 -1.864 8.211 1.00 63.23 C ATOM 0 HA PRO A 4 18.175 1.379 7.998 1.00 22.22 H new ATOM 0 HB2 PRO A 4 19.369 -0.279 5.862 1.00 31.43 H new ATOM 0 HB3 PRO A 4 20.224 0.672 7.061 1.00 31.43 H new ATOM 0 HG2 PRO A 4 20.261 -2.058 7.039 1.00 21.10 H new ATOM 0 HG3 PRO A 4 20.464 -1.118 8.504 1.00 21.10 H new ATOM 0 HD2 PRO A 4 17.997 -2.539 7.501 1.00 63.23 H new ATOM 0 HD3 PRO A 4 18.608 -2.420 9.139 1.00 63.23 H new ATOM 62 N SER A 5 17.210 1.709 5.654 1.00 64.12 N ATOM 63 CA SER A 5 16.336 1.989 4.526 1.00 15.13 C ATOM 64 C SER A 5 16.730 1.132 3.323 1.00 64.31 C ATOM 65 O SER A 5 17.394 1.599 2.396 1.00 11.43 O ATOM 66 CB SER A 5 16.402 3.478 4.176 1.00 43.31 C ATOM 67 OG SER A 5 16.286 4.270 5.349 1.00 10.44 O ATOM 0 H SER A 5 17.905 2.433 5.837 1.00 64.12 H new ATOM 0 HA SER A 5 15.311 1.740 4.799 1.00 15.13 H new ATOM 0 HB2 SER A 5 17.344 3.698 3.673 1.00 43.31 H new ATOM 0 HB3 SER A 5 15.602 3.730 3.479 1.00 43.31 H new ATOM 0 HG SER A 5 16.332 5.219 5.109 1.00 10.44 H new ATOM 73 N ASP A 6 16.343 -0.137 3.369 1.00 2.10 N ATOM 74 CA ASP A 6 16.682 -1.089 2.314 1.00 1.41 C ATOM 75 C ASP A 6 15.513 -1.280 1.362 1.00 13.24 C ATOM 76 O ASP A 6 15.568 -2.077 0.428 1.00 4.42 O ATOM 77 CB ASP A 6 17.079 -2.432 2.931 1.00 62.23 C ATOM 78 CG ASP A 6 17.948 -3.271 2.014 1.00 42.43 C ATOM 79 OD1 ASP A 6 19.153 -2.977 1.896 1.00 23.11 O ATOM 80 OD2 ASP A 6 17.437 -4.246 1.425 1.00 24.43 O ATOM 0 H ASP A 6 15.791 -0.534 4.129 1.00 2.10 H new ATOM 0 HA ASP A 6 17.524 -0.690 1.748 1.00 1.41 H new ATOM 0 HB2 ASP A 6 17.612 -2.253 3.865 1.00 62.23 H new ATOM 0 HB3 ASP A 6 16.178 -2.992 3.181 1.00 62.23 H new ATOM 85 N PHE A 7 14.467 -0.514 1.599 1.00 14.33 N ATOM 86 CA PHE A 7 13.255 -0.603 0.813 1.00 43.35 C ATOM 87 C PHE A 7 13.351 0.335 -0.382 1.00 32.52 C ATOM 88 O PHE A 7 13.524 1.543 -0.219 1.00 52.23 O ATOM 89 CB PHE A 7 12.048 -0.231 1.671 1.00 31.55 C ATOM 90 CG PHE A 7 12.184 -0.642 3.112 1.00 11.22 C ATOM 91 CD1 PHE A 7 12.034 -1.967 3.489 1.00 22.21 C ATOM 92 CD2 PHE A 7 12.473 0.301 4.088 1.00 61.11 C ATOM 93 CE1 PHE A 7 12.168 -2.343 4.812 1.00 15.34 C ATOM 94 CE2 PHE A 7 12.610 -0.070 5.411 1.00 32.20 C ATOM 95 CZ PHE A 7 12.457 -1.393 5.774 1.00 32.51 C ATOM 0 H PHE A 7 14.434 0.186 2.340 1.00 14.33 H new ATOM 0 HA PHE A 7 13.133 -1.626 0.458 1.00 43.35 H new ATOM 0 HB2 PHE A 7 11.896 0.847 1.622 1.00 31.55 H new ATOM 0 HB3 PHE A 7 11.157 -0.697 1.251 1.00 31.55 H new ATOM 0 HD1 PHE A 7 11.810 -2.713 2.741 1.00 22.21 H new ATOM 0 HD2 PHE A 7 12.592 1.338 3.810 1.00 61.11 H new ATOM 0 HE1 PHE A 7 12.047 -3.378 5.094 1.00 15.34 H new ATOM 0 HE2 PHE A 7 12.837 0.674 6.161 1.00 32.20 H new ATOM 0 HZ PHE A 7 12.563 -1.686 6.808 1.00 32.51 H new ATOM 105 N LYS A 8 13.253 -0.224 -1.575 1.00 31.11 N ATOM 106 CA LYS A 8 13.376 0.554 -2.795 1.00 65.10 C ATOM 107 C LYS A 8 12.095 1.320 -3.098 1.00 54.01 C ATOM 108 O LYS A 8 12.123 2.368 -3.746 1.00 21.24 O ATOM 109 CB LYS A 8 13.705 -0.380 -3.950 1.00 42.23 C ATOM 110 CG LYS A 8 14.919 -1.249 -3.686 1.00 65.24 C ATOM 111 CD LYS A 8 15.139 -2.251 -4.803 1.00 32.14 C ATOM 112 CE LYS A 8 16.206 -3.262 -4.430 1.00 71.13 C ATOM 113 NZ LYS A 8 17.506 -2.615 -4.114 1.00 62.03 N ATOM 0 H LYS A 8 13.088 -1.219 -1.725 1.00 31.11 H new ATOM 0 HA LYS A 8 14.176 1.283 -2.662 1.00 65.10 H new ATOM 0 HB2 LYS A 8 12.845 -1.019 -4.149 1.00 42.23 H new ATOM 0 HB3 LYS A 8 13.878 0.211 -4.849 1.00 42.23 H new ATOM 0 HG2 LYS A 8 15.803 -0.619 -3.581 1.00 65.24 H new ATOM 0 HG3 LYS A 8 14.791 -1.778 -2.742 1.00 65.24 H new ATOM 0 HD2 LYS A 8 14.204 -2.768 -5.021 1.00 32.14 H new ATOM 0 HD3 LYS A 8 15.433 -1.727 -5.713 1.00 32.14 H new ATOM 0 HE2 LYS A 8 15.871 -3.840 -3.569 1.00 71.13 H new ATOM 0 HE3 LYS A 8 16.342 -3.964 -5.252 1.00 71.13 H new ATOM 0 HZ1 LYS A 8 18.241 -3.344 -4.014 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 17.766 -1.964 -4.882 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 17.422 -2.084 -3.224 1.00 62.03 H new ATOM 127 N SER A 9 10.977 0.806 -2.610 1.00 11.30 N ATOM 128 CA SER A 9 9.682 1.375 -2.939 1.00 21.24 C ATOM 129 C SER A 9 8.633 1.012 -1.898 1.00 0.32 C ATOM 130 O SER A 9 8.941 0.403 -0.867 1.00 4.41 O ATOM 131 CB SER A 9 9.236 0.872 -4.309 1.00 1.12 C ATOM 132 OG SER A 9 9.093 -0.536 -4.304 1.00 52.44 O ATOM 0 H SER A 9 10.941 -0.001 -1.987 1.00 11.30 H new ATOM 0 HA SER A 9 9.784 2.460 -2.954 1.00 21.24 H new ATOM 0 HB2 SER A 9 8.289 1.337 -4.582 1.00 1.12 H new ATOM 0 HB3 SER A 9 9.965 1.166 -5.064 1.00 1.12 H new ATOM 0 HG SER A 9 9.957 -0.952 -4.100 1.00 52.44 H new ATOM 138 N PHE A 10 7.392 1.378 -2.193 1.00 35.41 N ATOM 139 CA PHE A 10 6.265 1.121 -1.311 1.00 23.12 C ATOM 140 C PHE A 10 6.106 -0.370 -1.014 1.00 22.13 C ATOM 141 O PHE A 10 5.853 -0.755 0.126 1.00 0.23 O ATOM 142 CB PHE A 10 4.974 1.688 -1.926 1.00 3.43 C ATOM 143 CG PHE A 10 4.556 1.044 -3.229 1.00 63.00 C ATOM 144 CD1 PHE A 10 5.291 1.236 -4.390 1.00 74.22 C ATOM 145 CD2 PHE A 10 3.423 0.250 -3.290 1.00 34.11 C ATOM 146 CE1 PHE A 10 4.905 0.649 -5.580 1.00 72.13 C ATOM 147 CE2 PHE A 10 3.033 -0.340 -4.478 1.00 71.13 C ATOM 148 CZ PHE A 10 3.775 -0.141 -5.624 1.00 24.30 C ATOM 0 H PHE A 10 7.140 1.863 -3.054 1.00 35.41 H new ATOM 0 HA PHE A 10 6.461 1.623 -0.363 1.00 23.12 H new ATOM 0 HB2 PHE A 10 4.165 1.575 -1.205 1.00 3.43 H new ATOM 0 HB3 PHE A 10 5.106 2.757 -2.091 1.00 3.43 H new ATOM 0 HD1 PHE A 10 6.177 1.853 -4.363 1.00 74.22 H new ATOM 0 HD2 PHE A 10 2.836 0.090 -2.398 1.00 34.11 H new ATOM 0 HE1 PHE A 10 5.488 0.809 -6.475 1.00 72.13 H new ATOM 0 HE2 PHE A 10 2.147 -0.957 -4.509 1.00 71.13 H new ATOM 0 HZ PHE A 10 3.472 -0.602 -6.552 1.00 24.30 H new ATOM 158 N HIS A 11 6.293 -1.217 -2.027 1.00 30.51 N ATOM 159 CA HIS A 11 6.034 -2.648 -1.862 1.00 44.10 C ATOM 160 C HIS A 11 7.120 -3.314 -1.025 1.00 1.51 C ATOM 161 O HIS A 11 6.893 -4.365 -0.429 1.00 74.35 O ATOM 162 CB HIS A 11 5.883 -3.371 -3.217 1.00 2.13 C ATOM 163 CG HIS A 11 7.144 -3.485 -4.031 1.00 11.41 C ATOM 164 ND1 HIS A 11 8.167 -4.361 -3.730 1.00 53.54 N ATOM 165 CD2 HIS A 11 7.533 -2.831 -5.149 1.00 45.22 C ATOM 166 CE1 HIS A 11 9.128 -4.235 -4.627 1.00 31.00 C ATOM 167 NE2 HIS A 11 8.772 -3.312 -5.501 1.00 21.41 N ATOM 0 H HIS A 11 6.617 -0.944 -2.955 1.00 30.51 H new ATOM 0 HA HIS A 11 5.085 -2.735 -1.333 1.00 44.10 H new ATOM 0 HB2 HIS A 11 5.497 -4.374 -3.034 1.00 2.13 H new ATOM 0 HB3 HIS A 11 5.135 -2.845 -3.809 1.00 2.13 H new ATOM 0 HD2 HIS A 11 6.972 -2.069 -5.671 1.00 45.22 H new ATOM 0 HE1 HIS A 11 10.052 -4.794 -4.643 1.00 31.00 H new ATOM 0 HE2 HIS A 11 9.324 -3.007 -6.303 1.00 21.41 H new ATOM 176 N ASP A 12 8.300 -2.707 -0.987 1.00 64.22 N ATOM 177 CA ASP A 12 9.409 -3.257 -0.224 1.00 63.12 C ATOM 178 C ASP A 12 9.205 -3.006 1.258 1.00 62.11 C ATOM 179 O ASP A 12 9.442 -3.885 2.088 1.00 14.20 O ATOM 180 CB ASP A 12 10.730 -2.651 -0.688 1.00 31.30 C ATOM 181 CG ASP A 12 11.008 -2.933 -2.145 1.00 61.01 C ATOM 182 OD1 ASP A 12 11.421 -4.064 -2.467 1.00 22.32 O ATOM 183 OD2 ASP A 12 10.792 -2.027 -2.973 1.00 53.21 O ATOM 0 H ASP A 12 8.511 -1.836 -1.475 1.00 64.22 H new ATOM 0 HA ASP A 12 9.445 -4.333 -0.393 1.00 63.12 H new ATOM 0 HB2 ASP A 12 10.710 -1.573 -0.526 1.00 31.30 H new ATOM 0 HB3 ASP A 12 11.543 -3.049 -0.081 1.00 31.30 H new ATOM 188 N PHE A 13 8.746 -1.804 1.585 1.00 74.12 N ATOM 189 CA PHE A 13 8.454 -1.454 2.965 1.00 12.21 C ATOM 190 C PHE A 13 7.335 -2.352 3.491 1.00 71.03 C ATOM 191 O PHE A 13 7.397 -2.860 4.614 1.00 22.31 O ATOM 192 CB PHE A 13 8.046 0.020 3.064 1.00 24.21 C ATOM 193 CG PHE A 13 8.077 0.567 4.466 1.00 11.32 C ATOM 194 CD1 PHE A 13 7.020 0.352 5.338 1.00 22.53 C ATOM 195 CD2 PHE A 13 9.164 1.303 4.908 1.00 32.00 C ATOM 196 CE1 PHE A 13 7.048 0.860 6.621 1.00 52.12 C ATOM 197 CE2 PHE A 13 9.198 1.812 6.192 1.00 25.52 C ATOM 198 CZ PHE A 13 8.138 1.590 7.049 1.00 45.35 C ATOM 0 H PHE A 13 8.569 -1.058 0.913 1.00 74.12 H new ATOM 0 HA PHE A 13 9.348 -1.603 3.571 1.00 12.21 H new ATOM 0 HB2 PHE A 13 8.711 0.614 2.438 1.00 24.21 H new ATOM 0 HB3 PHE A 13 7.040 0.137 2.661 1.00 24.21 H new ATOM 0 HD1 PHE A 13 6.165 -0.220 5.009 1.00 22.53 H new ATOM 0 HD2 PHE A 13 9.995 1.481 4.241 1.00 32.00 H new ATOM 0 HE1 PHE A 13 6.218 0.686 7.289 1.00 52.12 H new ATOM 0 HE2 PHE A 13 10.052 2.383 6.525 1.00 25.52 H new ATOM 0 HZ PHE A 13 8.162 1.987 8.053 1.00 45.35 H new ATOM 208 N VAL A 14 6.323 -2.552 2.646 1.00 73.50 N ATOM 209 CA VAL A 14 5.199 -3.431 2.958 1.00 53.25 C ATOM 210 C VAL A 14 5.677 -4.842 3.285 1.00 45.14 C ATOM 211 O VAL A 14 5.399 -5.351 4.362 1.00 2.42 O ATOM 212 CB VAL A 14 4.189 -3.480 1.784 1.00 41.11 C ATOM 213 CG1 VAL A 14 3.146 -4.570 1.992 1.00 31.31 C ATOM 214 CG2 VAL A 14 3.510 -2.130 1.617 1.00 34.15 C ATOM 0 H VAL A 14 6.261 -2.110 1.729 1.00 73.50 H new ATOM 0 HA VAL A 14 4.699 -3.020 3.835 1.00 53.25 H new ATOM 0 HB VAL A 14 4.744 -3.716 0.876 1.00 41.11 H new ATOM 0 HG11 VAL A 14 2.454 -4.576 1.150 1.00 31.31 H new ATOM 0 HG12 VAL A 14 3.641 -5.539 2.062 1.00 31.31 H new ATOM 0 HG13 VAL A 14 2.596 -4.376 2.913 1.00 31.31 H new ATOM 0 HG21 VAL A 14 2.803 -2.178 0.789 1.00 34.15 H new ATOM 0 HG22 VAL A 14 2.978 -1.874 2.534 1.00 34.15 H new ATOM 0 HG23 VAL A 14 4.261 -1.368 1.409 1.00 34.15 H new ATOM 224 N ALA A 15 6.432 -5.451 2.377 1.00 42.23 N ATOM 225 CA ALA A 15 6.867 -6.837 2.547 1.00 45.03 C ATOM 226 C ALA A 15 7.644 -7.042 3.849 1.00 44.21 C ATOM 227 O ALA A 15 7.622 -8.131 4.427 1.00 31.14 O ATOM 228 CB ALA A 15 7.706 -7.274 1.356 1.00 45.43 C ATOM 0 H ALA A 15 6.756 -5.010 1.516 1.00 42.23 H new ATOM 0 HA ALA A 15 5.971 -7.456 2.604 1.00 45.03 H new ATOM 0 HB1 ALA A 15 8.024 -8.307 1.494 1.00 45.43 H new ATOM 0 HB2 ALA A 15 7.113 -7.196 0.445 1.00 45.43 H new ATOM 0 HB3 ALA A 15 8.583 -6.632 1.274 1.00 45.43 H new ATOM 234 N SER A 16 8.319 -5.997 4.312 1.00 34.34 N ATOM 235 CA SER A 16 9.107 -6.085 5.535 1.00 32.21 C ATOM 236 C SER A 16 8.216 -5.991 6.777 1.00 3.35 C ATOM 237 O SER A 16 8.373 -6.770 7.717 1.00 40.41 O ATOM 238 CB SER A 16 10.171 -4.986 5.560 1.00 74.11 C ATOM 239 OG SER A 16 11.031 -5.127 6.680 1.00 42.31 O ATOM 0 H SER A 16 8.337 -5.082 3.861 1.00 34.34 H new ATOM 0 HA SER A 16 9.601 -7.057 5.549 1.00 32.21 H new ATOM 0 HB2 SER A 16 10.757 -5.023 4.642 1.00 74.11 H new ATOM 0 HB3 SER A 16 9.688 -4.009 5.590 1.00 74.11 H new ATOM 0 HG SER A 16 11.481 -4.274 6.857 1.00 42.31 H new ATOM 245 N TYR A 17 7.283 -5.047 6.783 1.00 61.21 N ATOM 246 CA TYR A 17 6.414 -4.845 7.941 1.00 74.11 C ATOM 247 C TYR A 17 5.320 -5.911 7.979 1.00 24.22 C ATOM 248 O TYR A 17 4.983 -6.443 9.038 1.00 62.33 O ATOM 249 CB TYR A 17 5.796 -3.443 7.904 1.00 73.14 C ATOM 250 CG TYR A 17 5.074 -3.057 9.174 1.00 1.52 C ATOM 251 CD1 TYR A 17 5.782 -2.659 10.301 1.00 73.42 C ATOM 252 CD2 TYR A 17 3.688 -3.086 9.248 1.00 62.02 C ATOM 253 CE1 TYR A 17 5.132 -2.305 11.466 1.00 52.30 C ATOM 254 CE2 TYR A 17 3.028 -2.733 10.410 1.00 12.55 C ATOM 255 CZ TYR A 17 3.755 -2.343 11.515 1.00 22.55 C ATOM 256 OH TYR A 17 3.101 -1.994 12.677 1.00 65.11 O ATOM 0 H TYR A 17 7.107 -4.411 6.005 1.00 61.21 H new ATOM 0 HA TYR A 17 7.014 -4.935 8.846 1.00 74.11 H new ATOM 0 HB2 TYR A 17 6.584 -2.715 7.710 1.00 73.14 H new ATOM 0 HB3 TYR A 17 5.097 -3.387 7.069 1.00 73.14 H new ATOM 0 HD1 TYR A 17 6.861 -2.626 10.265 1.00 73.42 H new ATOM 0 HD2 TYR A 17 3.116 -3.389 8.384 1.00 62.02 H new ATOM 0 HE1 TYR A 17 5.699 -2.000 12.333 1.00 52.30 H new ATOM 0 HE2 TYR A 17 1.949 -2.762 10.452 1.00 12.55 H new ATOM 0 HH TYR A 17 2.133 -2.073 12.544 1.00 65.11 H new ATOM 266 N MET A 18 4.790 -6.222 6.807 1.00 73.24 N ATOM 267 CA MET A 18 3.760 -7.243 6.640 1.00 44.10 C ATOM 268 C MET A 18 4.270 -8.622 7.045 1.00 4.31 C ATOM 269 O MET A 18 3.494 -9.481 7.468 1.00 1.00 O ATOM 270 CB MET A 18 3.265 -7.245 5.193 1.00 4.11 C ATOM 271 CG MET A 18 2.112 -6.282 4.940 1.00 70.32 C ATOM 272 SD MET A 18 2.467 -4.590 5.460 1.00 0.44 S ATOM 273 CE MET A 18 0.944 -3.772 4.995 1.00 15.22 C ATOM 0 H MET A 18 5.063 -5.770 5.934 1.00 73.24 H new ATOM 0 HA MET A 18 2.926 -7.003 7.299 1.00 44.10 H new ATOM 0 HB2 MET A 18 4.094 -6.987 4.534 1.00 4.11 H new ATOM 0 HB3 MET A 18 2.949 -8.254 4.927 1.00 4.11 H new ATOM 0 HG2 MET A 18 1.872 -6.285 3.877 1.00 70.32 H new ATOM 0 HG3 MET A 18 1.227 -6.639 5.468 1.00 70.32 H new ATOM 0 HE1 MET A 18 1.129 -2.706 4.862 1.00 15.22 H new ATOM 0 HE2 MET A 18 0.574 -4.196 4.061 1.00 15.22 H new ATOM 0 HE3 MET A 18 0.200 -3.916 5.779 1.00 15.22 H new ATOM 283 N LYS A 19 5.577 -8.822 6.907 1.00 53.43 N ATOM 284 CA LYS A 19 6.234 -10.057 7.330 1.00 72.13 C ATOM 285 C LYS A 19 5.839 -10.425 8.765 1.00 21.01 C ATOM 286 O LYS A 19 5.729 -11.606 9.100 1.00 22.32 O ATOM 287 CB LYS A 19 7.760 -9.885 7.203 1.00 30.55 C ATOM 288 CG LYS A 19 8.592 -11.086 7.642 1.00 32.21 C ATOM 289 CD LYS A 19 8.881 -11.060 9.136 1.00 43.44 C ATOM 290 CE LYS A 19 9.780 -12.209 9.549 1.00 14.44 C ATOM 291 NZ LYS A 19 10.004 -12.234 11.017 1.00 11.30 N ATOM 0 H LYS A 19 6.211 -8.135 6.500 1.00 53.43 H new ATOM 0 HA LYS A 19 5.911 -10.875 6.686 1.00 72.13 H new ATOM 0 HB2 LYS A 19 7.998 -9.660 6.163 1.00 30.55 H new ATOM 0 HB3 LYS A 19 8.062 -9.020 7.794 1.00 30.55 H new ATOM 0 HG2 LYS A 19 8.063 -12.005 7.390 1.00 32.21 H new ATOM 0 HG3 LYS A 19 9.532 -11.098 7.090 1.00 32.21 H new ATOM 0 HD2 LYS A 19 9.354 -10.114 9.400 1.00 43.44 H new ATOM 0 HD3 LYS A 19 7.944 -11.113 9.690 1.00 43.44 H new ATOM 0 HE2 LYS A 19 9.333 -13.152 9.233 1.00 14.44 H new ATOM 0 HE3 LYS A 19 10.738 -12.123 9.037 1.00 14.44 H new ATOM 0 HZ1 LYS A 19 10.623 -13.033 11.260 1.00 11.30 H new ATOM 0 HZ2 LYS A 19 10.454 -11.345 11.315 1.00 11.30 H new ATOM 0 HZ3 LYS A 19 9.092 -12.341 11.506 1.00 11.30 H new ATOM 305 N THR A 20 5.603 -9.409 9.590 1.00 0.33 N ATOM 306 CA THR A 20 5.255 -9.607 10.992 1.00 20.31 C ATOM 307 C THR A 20 3.997 -10.470 11.158 1.00 33.52 C ATOM 308 O THR A 20 4.027 -11.503 11.832 1.00 53.11 O ATOM 309 CB THR A 20 5.031 -8.256 11.696 1.00 55.03 C ATOM 310 OG1 THR A 20 6.102 -7.361 11.379 1.00 51.40 O ATOM 311 CG2 THR A 20 4.945 -8.439 13.205 1.00 0.40 C ATOM 0 H THR A 20 5.647 -8.430 9.307 1.00 0.33 H new ATOM 0 HA THR A 20 6.095 -10.128 11.450 1.00 20.31 H new ATOM 0 HB THR A 20 4.088 -7.837 11.344 1.00 55.03 H new ATOM 0 HG1 THR A 20 5.899 -6.890 10.544 1.00 51.40 H new ATOM 0 HG21 THR A 20 4.787 -7.471 13.680 1.00 0.40 H new ATOM 0 HG22 THR A 20 4.113 -9.101 13.444 1.00 0.40 H new ATOM 0 HG23 THR A 20 5.874 -8.876 13.572 1.00 0.40 H new ATOM 319 N TYR A 21 2.892 -10.053 10.540 1.00 14.31 N ATOM 320 CA TYR A 21 1.635 -10.760 10.697 1.00 44.05 C ATOM 321 C TYR A 21 1.480 -11.848 9.638 1.00 5.23 C ATOM 322 O TYR A 21 0.542 -12.641 9.690 1.00 34.21 O ATOM 323 CB TYR A 21 0.457 -9.780 10.652 1.00 12.03 C ATOM 324 CG TYR A 21 0.116 -9.238 9.280 1.00 20.34 C ATOM 325 CD1 TYR A 21 0.729 -8.093 8.787 1.00 15.23 C ATOM 326 CD2 TYR A 21 -0.837 -9.865 8.484 1.00 71.23 C ATOM 327 CE1 TYR A 21 0.405 -7.594 7.540 1.00 23.11 C ATOM 328 CE2 TYR A 21 -1.166 -9.370 7.237 1.00 43.04 C ATOM 329 CZ TYR A 21 -0.542 -8.235 6.769 1.00 0.14 C ATOM 330 OH TYR A 21 -0.871 -7.737 5.526 1.00 62.24 O ATOM 0 H TYR A 21 2.848 -9.235 9.932 1.00 14.31 H new ATOM 0 HA TYR A 21 1.639 -11.246 11.673 1.00 44.05 H new ATOM 0 HB2 TYR A 21 -0.424 -10.278 11.057 1.00 12.03 H new ATOM 0 HB3 TYR A 21 0.679 -8.941 11.311 1.00 12.03 H new ATOM 0 HD1 TYR A 21 1.470 -7.585 9.387 1.00 15.23 H new ATOM 0 HD2 TYR A 21 -1.329 -10.755 8.848 1.00 71.23 H new ATOM 0 HE1 TYR A 21 0.892 -6.704 7.170 1.00 23.11 H new ATOM 0 HE2 TYR A 21 -1.908 -9.870 6.633 1.00 43.04 H new ATOM 0 HH TYR A 21 -1.553 -8.308 5.115 1.00 62.24 H new ATOM 340 N SER A 22 2.408 -11.883 8.681 1.00 5.51 N ATOM 341 CA SER A 22 2.422 -12.919 7.646 1.00 72.44 C ATOM 342 C SER A 22 2.517 -14.323 8.258 1.00 71.22 C ATOM 343 O SER A 22 2.160 -15.312 7.619 1.00 62.14 O ATOM 344 CB SER A 22 3.594 -12.684 6.685 1.00 5.12 C ATOM 345 OG SER A 22 3.606 -13.639 5.637 1.00 64.15 O ATOM 0 H SER A 22 3.164 -11.202 8.601 1.00 5.51 H new ATOM 0 HA SER A 22 1.483 -12.857 7.095 1.00 72.44 H new ATOM 0 HB2 SER A 22 3.525 -11.681 6.264 1.00 5.12 H new ATOM 0 HB3 SER A 22 4.533 -12.735 7.236 1.00 5.12 H new ATOM 0 HG SER A 22 4.363 -13.461 5.041 1.00 64.15 H new ATOM 351 N ARG A 23 2.995 -14.405 9.497 1.00 52.31 N ATOM 352 CA ARG A 23 3.069 -15.674 10.212 1.00 13.43 C ATOM 353 C ARG A 23 1.673 -16.193 10.542 1.00 4.33 C ATOM 354 O ARG A 23 1.473 -17.389 10.748 1.00 41.40 O ATOM 355 CB ARG A 23 3.857 -15.515 11.513 1.00 70.11 C ATOM 356 CG ARG A 23 5.329 -15.200 11.320 1.00 2.02 C ATOM 357 CD ARG A 23 6.076 -15.262 12.642 1.00 22.32 C ATOM 358 NE ARG A 23 6.028 -16.602 13.234 1.00 52.34 N ATOM 359 CZ ARG A 23 6.216 -16.860 14.532 1.00 3.12 C ATOM 360 NH1 ARG A 23 6.469 -15.874 15.385 1.00 1.43 N ATOM 361 NH2 ARG A 23 6.142 -18.111 14.975 1.00 41.13 N ATOM 0 H ARG A 23 3.338 -13.604 10.027 1.00 52.31 H new ATOM 0 HA ARG A 23 3.576 -16.388 9.563 1.00 13.43 H new ATOM 0 HB2 ARG A 23 3.402 -14.720 12.104 1.00 70.11 H new ATOM 0 HB3 ARG A 23 3.768 -16.434 12.092 1.00 70.11 H new ATOM 0 HG2 ARG A 23 5.767 -15.908 10.617 1.00 2.02 H new ATOM 0 HG3 ARG A 23 5.438 -14.208 10.883 1.00 2.02 H new ATOM 0 HD2 ARG A 23 7.115 -14.971 12.486 1.00 22.32 H new ATOM 0 HD3 ARG A 23 5.644 -14.542 13.337 1.00 22.32 H new ATOM 0 HE ARG A 23 5.839 -17.390 12.614 1.00 52.34 H new ATOM 0 HH11 ARG A 23 6.521 -14.912 15.051 1.00 1.43 H new ATOM 0 HH12 ARG A 23 6.611 -16.079 16.374 1.00 1.43 H new ATOM 0 HH21 ARG A 23 5.942 -18.871 14.325 1.00 41.13 H new ATOM 0 HH22 ARG A 23 6.285 -18.311 15.965 1.00 41.13 H new ATOM 375 N ARG A 24 0.713 -15.283 10.591 1.00 23.03 N ATOM 376 CA ARG A 24 -0.643 -15.616 10.999 1.00 52.21 C ATOM 377 C ARG A 24 -1.603 -15.472 9.823 1.00 62.41 C ATOM 378 O ARG A 24 -2.822 -15.477 9.993 1.00 71.23 O ATOM 379 CB ARG A 24 -1.065 -14.699 12.150 1.00 32.31 C ATOM 380 CG ARG A 24 -0.081 -14.704 13.311 1.00 13.34 C ATOM 381 CD ARG A 24 -0.381 -13.601 14.311 1.00 11.10 C ATOM 382 NE ARG A 24 -1.650 -13.804 15.001 1.00 61.32 N ATOM 383 CZ ARG A 24 -2.578 -12.860 15.149 1.00 21.40 C ATOM 384 NH1 ARG A 24 -2.389 -11.645 14.640 1.00 54.21 N ATOM 385 NH2 ARG A 24 -3.685 -13.123 15.826 1.00 15.11 N ATOM 0 H ARG A 24 0.849 -14.301 10.351 1.00 23.03 H new ATOM 0 HA ARG A 24 -0.673 -16.652 11.336 1.00 52.21 H new ATOM 0 HB2 ARG A 24 -1.170 -13.681 11.775 1.00 32.31 H new ATOM 0 HB3 ARG A 24 -2.046 -15.008 12.512 1.00 32.31 H new ATOM 0 HG2 ARG A 24 -0.118 -15.670 13.814 1.00 13.34 H new ATOM 0 HG3 ARG A 24 0.932 -14.582 12.929 1.00 13.34 H new ATOM 0 HD2 ARG A 24 0.424 -13.551 15.044 1.00 11.10 H new ATOM 0 HD3 ARG A 24 -0.401 -12.642 13.794 1.00 11.10 H new ATOM 0 HE ARG A 24 -1.838 -14.726 15.395 1.00 61.32 H new ATOM 0 HH11 ARG A 24 -1.530 -11.432 14.133 1.00 54.21 H new ATOM 0 HH12 ARG A 24 -3.103 -10.926 14.757 1.00 54.21 H new ATOM 0 HH21 ARG A 24 -3.826 -14.047 16.233 1.00 15.11 H new ATOM 0 HH22 ARG A 24 -4.397 -12.401 15.940 1.00 15.11 H new ATOM 399 N LEU A 25 -1.040 -15.355 8.629 1.00 21.53 N ATOM 400 CA LEU A 25 -1.836 -15.192 7.424 1.00 4.22 C ATOM 401 C LEU A 25 -1.418 -16.225 6.390 1.00 55.52 C ATOM 402 O LEU A 25 -0.232 -16.524 6.248 1.00 43.31 O ATOM 403 CB LEU A 25 -1.659 -13.786 6.843 1.00 30.24 C ATOM 404 CG LEU A 25 -2.727 -13.345 5.847 1.00 5.15 C ATOM 405 CD1 LEU A 25 -4.083 -13.264 6.531 1.00 23.02 C ATOM 406 CD2 LEU A 25 -2.360 -12.003 5.235 1.00 70.45 C ATOM 0 H LEU A 25 -0.033 -15.370 8.470 1.00 21.53 H new ATOM 0 HA LEU A 25 -2.886 -15.333 7.682 1.00 4.22 H new ATOM 0 HB2 LEU A 25 -1.639 -13.072 7.666 1.00 30.24 H new ATOM 0 HB3 LEU A 25 -0.687 -13.735 6.353 1.00 30.24 H new ATOM 0 HG LEU A 25 -2.784 -14.084 5.048 1.00 5.15 H new ATOM 0 HD11 LEU A 25 -4.836 -12.948 5.809 1.00 23.02 H new ATOM 0 HD12 LEU A 25 -4.349 -14.243 6.928 1.00 23.02 H new ATOM 0 HD13 LEU A 25 -4.037 -12.542 7.346 1.00 23.02 H new ATOM 0 HD21 LEU A 25 -3.132 -11.703 4.527 1.00 70.45 H new ATOM 0 HD22 LEU A 25 -2.279 -11.254 6.023 1.00 70.45 H new ATOM 0 HD23 LEU A 25 -1.405 -12.089 4.716 1.00 70.45 H new ATOM 418 N GLU A 26 -2.392 -16.779 5.693 1.00 55.40 N ATOM 419 CA GLU A 26 -2.123 -17.710 4.619 1.00 21.33 C ATOM 420 C GLU A 26 -1.391 -17.021 3.479 1.00 23.15 C ATOM 421 O GLU A 26 -1.676 -15.868 3.148 1.00 54.14 O ATOM 422 CB GLU A 26 -3.429 -18.303 4.112 1.00 23.42 C ATOM 423 CG GLU A 26 -4.090 -19.238 5.103 1.00 65.52 C ATOM 424 CD GLU A 26 -5.541 -19.498 4.770 1.00 31.15 C ATOM 425 OE1 GLU A 26 -5.818 -20.436 3.993 1.00 50.13 O ATOM 426 OE2 GLU A 26 -6.412 -18.759 5.276 1.00 11.41 O ATOM 0 H GLU A 26 -3.383 -16.597 5.855 1.00 55.40 H new ATOM 0 HA GLU A 26 -1.488 -18.508 5.004 1.00 21.33 H new ATOM 0 HB2 GLU A 26 -4.118 -17.493 3.872 1.00 23.42 H new ATOM 0 HB3 GLU A 26 -3.238 -18.844 3.185 1.00 23.42 H new ATOM 0 HG2 GLU A 26 -3.549 -20.184 5.122 1.00 65.52 H new ATOM 0 HG3 GLU A 26 -4.020 -18.811 6.103 1.00 65.52 H new ATOM 433 N ILE A 27 -0.465 -17.742 2.872 1.00 21.23 N ATOM 434 CA ILE A 27 0.317 -17.208 1.764 1.00 11.42 C ATOM 435 C ILE A 27 -0.600 -16.835 0.604 1.00 22.14 C ATOM 436 O ILE A 27 -0.373 -15.842 -0.084 1.00 34.11 O ATOM 437 CB ILE A 27 1.382 -18.220 1.280 1.00 42.45 C ATOM 438 CG1 ILE A 27 2.327 -18.586 2.429 1.00 62.13 C ATOM 439 CG2 ILE A 27 2.171 -17.659 0.101 1.00 42.15 C ATOM 440 CD1 ILE A 27 3.032 -17.390 3.037 1.00 64.43 C ATOM 0 H ILE A 27 -0.234 -18.702 3.127 1.00 21.23 H new ATOM 0 HA ILE A 27 0.833 -16.318 2.124 1.00 11.42 H new ATOM 0 HB ILE A 27 0.869 -19.122 0.946 1.00 42.45 H new ATOM 0 HG12 ILE A 27 1.759 -19.097 3.207 1.00 62.13 H new ATOM 0 HG13 ILE A 27 3.074 -19.291 2.064 1.00 62.13 H new ATOM 0 HG21 ILE A 27 2.913 -18.389 -0.221 1.00 42.15 H new ATOM 0 HG22 ILE A 27 1.491 -17.446 -0.724 1.00 42.15 H new ATOM 0 HG23 ILE A 27 2.673 -16.740 0.404 1.00 42.15 H new ATOM 0 HD11 ILE A 27 3.684 -17.724 3.844 1.00 64.43 H new ATOM 0 HD12 ILE A 27 3.627 -16.891 2.272 1.00 64.43 H new ATOM 0 HD13 ILE A 27 2.292 -16.694 3.433 1.00 64.43 H new ATOM 452 N GLY A 28 -1.652 -17.629 0.418 1.00 42.20 N ATOM 453 CA GLY A 28 -2.607 -17.377 -0.646 1.00 50.43 C ATOM 454 C GLY A 28 -3.213 -15.986 -0.572 1.00 32.20 C ATOM 455 O GLY A 28 -3.257 -15.269 -1.572 1.00 5.50 O ATOM 0 H GLY A 28 -1.860 -18.448 0.990 1.00 42.20 H new ATOM 0 HA2 GLY A 28 -2.113 -17.503 -1.609 1.00 50.43 H new ATOM 0 HA3 GLY A 28 -3.404 -18.119 -0.597 1.00 50.43 H new ATOM 459 N THR A 29 -3.663 -15.590 0.611 1.00 63.34 N ATOM 460 CA THR A 29 -4.287 -14.287 0.781 1.00 21.41 C ATOM 461 C THR A 29 -3.228 -13.183 0.879 1.00 24.53 C ATOM 462 O THR A 29 -3.367 -12.128 0.254 1.00 51.33 O ATOM 463 CB THR A 29 -5.236 -14.259 2.008 1.00 75.30 C ATOM 464 OG1 THR A 29 -5.829 -12.966 2.147 1.00 33.34 O ATOM 465 CG2 THR A 29 -4.519 -14.636 3.293 1.00 32.11 C ATOM 0 H THR A 29 -3.608 -16.149 1.462 1.00 63.34 H new ATOM 0 HA THR A 29 -4.896 -14.098 -0.103 1.00 21.41 H new ATOM 0 HB THR A 29 -6.014 -15.002 1.831 1.00 75.30 H new ATOM 0 HG1 THR A 29 -6.427 -12.962 2.924 1.00 33.34 H new ATOM 0 HG21 THR A 29 -5.222 -14.603 4.125 1.00 32.11 H new ATOM 0 HG22 THR A 29 -4.113 -15.643 3.201 1.00 32.11 H new ATOM 0 HG23 THR A 29 -3.707 -13.933 3.476 1.00 32.11 H new ATOM 473 N PHE A 30 -2.163 -13.440 1.638 1.00 53.52 N ATOM 474 CA PHE A 30 -1.057 -12.494 1.775 1.00 63.31 C ATOM 475 C PHE A 30 -0.478 -12.090 0.415 1.00 55.43 C ATOM 476 O PHE A 30 -0.230 -10.908 0.159 1.00 11.21 O ATOM 477 CB PHE A 30 0.040 -13.114 2.650 1.00 15.43 C ATOM 478 CG PHE A 30 1.199 -12.197 2.928 1.00 63.31 C ATOM 479 CD1 PHE A 30 1.081 -11.173 3.854 1.00 55.30 C ATOM 480 CD2 PHE A 30 2.406 -12.362 2.266 1.00 75.41 C ATOM 481 CE1 PHE A 30 2.145 -10.331 4.114 1.00 41.33 C ATOM 482 CE2 PHE A 30 3.473 -11.523 2.522 1.00 55.01 C ATOM 483 CZ PHE A 30 3.342 -10.507 3.447 1.00 22.53 C ATOM 0 H PHE A 30 -2.043 -14.302 2.171 1.00 53.52 H new ATOM 0 HA PHE A 30 -1.443 -11.590 2.246 1.00 63.31 H new ATOM 0 HB2 PHE A 30 -0.399 -13.424 3.598 1.00 15.43 H new ATOM 0 HB3 PHE A 30 0.413 -14.015 2.162 1.00 15.43 H new ATOM 0 HD1 PHE A 30 0.147 -11.032 4.378 1.00 55.30 H new ATOM 0 HD2 PHE A 30 2.513 -13.156 1.542 1.00 75.41 H new ATOM 0 HE1 PHE A 30 2.041 -9.536 4.838 1.00 41.33 H new ATOM 0 HE2 PHE A 30 4.408 -11.662 1.999 1.00 55.01 H new ATOM 0 HZ PHE A 30 4.175 -9.850 3.649 1.00 22.53 H new ATOM 493 N ARG A 31 -0.280 -13.069 -0.466 1.00 32.21 N ATOM 494 CA ARG A 31 0.363 -12.814 -1.751 1.00 51.15 C ATOM 495 C ARG A 31 -0.531 -11.986 -2.675 1.00 3.51 C ATOM 496 O ARG A 31 -0.044 -11.380 -3.629 1.00 42.43 O ATOM 497 CB ARG A 31 0.772 -14.120 -2.437 1.00 41.21 C ATOM 498 CG ARG A 31 -0.355 -14.837 -3.162 1.00 65.23 C ATOM 499 CD ARG A 31 0.155 -16.082 -3.865 1.00 1.25 C ATOM 500 NE ARG A 31 -0.836 -16.637 -4.784 1.00 51.51 N ATOM 501 CZ ARG A 31 -0.853 -17.909 -5.180 1.00 40.13 C ATOM 502 NH1 ARG A 31 0.050 -18.763 -4.715 1.00 62.04 N ATOM 503 NH2 ARG A 31 -1.772 -18.327 -6.040 1.00 52.32 N ATOM 0 H ARG A 31 -0.554 -14.040 -0.314 1.00 32.21 H new ATOM 0 HA ARG A 31 1.264 -12.236 -1.547 1.00 51.15 H new ATOM 0 HB2 ARG A 31 1.567 -13.906 -3.151 1.00 41.21 H new ATOM 0 HB3 ARG A 31 1.190 -14.793 -1.688 1.00 41.21 H new ATOM 0 HG2 ARG A 31 -1.134 -15.110 -2.450 1.00 65.23 H new ATOM 0 HG3 ARG A 31 -0.810 -14.165 -3.890 1.00 65.23 H new ATOM 0 HD2 ARG A 31 1.064 -15.841 -4.415 1.00 1.25 H new ATOM 0 HD3 ARG A 31 0.422 -16.834 -3.122 1.00 1.25 H new ATOM 0 HE ARG A 31 -1.558 -16.013 -5.144 1.00 51.51 H new ATOM 0 HH11 ARG A 31 0.759 -18.446 -4.053 1.00 62.04 H new ATOM 0 HH12 ARG A 31 0.035 -19.736 -5.019 1.00 62.04 H new ATOM 0 HH21 ARG A 31 -2.468 -17.674 -6.400 1.00 52.32 H new ATOM 0 HH22 ARG A 31 -1.783 -19.301 -6.341 1.00 52.32 H new ATOM 517 N HIS A 32 -1.837 -11.959 -2.386 1.00 45.53 N ATOM 518 CA HIS A 32 -2.786 -11.177 -3.187 1.00 30.53 C ATOM 519 C HIS A 32 -2.381 -9.708 -3.232 1.00 52.33 C ATOM 520 O HIS A 32 -2.761 -8.977 -4.146 1.00 11.43 O ATOM 521 CB HIS A 32 -4.215 -11.286 -2.641 1.00 42.15 C ATOM 522 CG HIS A 32 -4.868 -12.615 -2.873 1.00 14.02 C ATOM 523 ND1 HIS A 32 -5.837 -13.128 -2.039 1.00 13.25 N ATOM 524 CD2 HIS A 32 -4.706 -13.527 -3.861 1.00 5.14 C ATOM 525 CE1 HIS A 32 -6.238 -14.295 -2.499 1.00 2.23 C ATOM 526 NE2 HIS A 32 -5.571 -14.564 -3.606 1.00 72.01 N ATOM 0 H HIS A 32 -2.259 -12.466 -1.608 1.00 45.53 H new ATOM 0 HA HIS A 32 -2.764 -11.592 -4.194 1.00 30.53 H new ATOM 0 HB2 HIS A 32 -4.198 -11.086 -1.570 1.00 42.15 H new ATOM 0 HB3 HIS A 32 -4.827 -10.509 -3.101 1.00 42.15 H new ATOM 0 HD2 HIS A 32 -4.024 -13.453 -4.695 1.00 5.14 H new ATOM 0 HE1 HIS A 32 -6.988 -14.927 -2.046 1.00 2.23 H new ATOM 0 HE2 HIS A 32 -5.680 -15.402 -4.177 1.00 72.01 H new ATOM 535 N HIS A 33 -1.627 -9.278 -2.230 1.00 15.21 N ATOM 536 CA HIS A 33 -1.101 -7.921 -2.196 1.00 14.32 C ATOM 537 C HIS A 33 0.384 -7.935 -2.536 1.00 75.11 C ATOM 538 O HIS A 33 0.808 -7.364 -3.540 1.00 72.23 O ATOM 539 CB HIS A 33 -1.313 -7.287 -0.814 1.00 71.33 C ATOM 540 CG HIS A 33 -2.752 -7.075 -0.445 1.00 35.03 C ATOM 541 ND1 HIS A 33 -3.280 -5.836 -0.150 1.00 43.15 N ATOM 542 CD2 HIS A 33 -3.772 -7.957 -0.308 1.00 72.43 C ATOM 543 CE1 HIS A 33 -4.558 -5.966 0.149 1.00 44.43 C ATOM 544 NE2 HIS A 33 -4.879 -7.241 0.061 1.00 64.45 N ATOM 0 H HIS A 33 -1.365 -9.851 -1.428 1.00 15.21 H new ATOM 0 HA HIS A 33 -1.638 -7.325 -2.934 1.00 14.32 H new ATOM 0 HB2 HIS A 33 -0.847 -7.922 -0.061 1.00 71.33 H new ATOM 0 HB3 HIS A 33 -0.798 -6.327 -0.785 1.00 71.33 H new ATOM 0 HD1 HIS A 33 -2.763 -4.957 -0.161 1.00 43.15 H new ATOM 0 HD2 HIS A 33 -3.721 -9.025 -0.461 1.00 72.43 H new ATOM 0 HE1 HIS A 33 -5.228 -5.163 0.420 1.00 44.43 H new ATOM 553 N LYS A 34 1.151 -8.638 -1.706 1.00 73.42 N ATOM 554 CA LYS A 34 2.610 -8.693 -1.811 1.00 32.12 C ATOM 555 C LYS A 34 3.091 -9.048 -3.224 1.00 33.41 C ATOM 556 O LYS A 34 3.879 -8.310 -3.822 1.00 3.52 O ATOM 557 CB LYS A 34 3.146 -9.698 -0.779 1.00 74.42 C ATOM 558 CG LYS A 34 4.601 -10.097 -0.973 1.00 21.33 C ATOM 559 CD LYS A 34 4.709 -11.461 -1.634 1.00 24.43 C ATOM 560 CE LYS A 34 6.145 -11.809 -1.967 1.00 20.12 C ATOM 561 NZ LYS A 34 6.253 -13.158 -2.580 1.00 51.01 N ATOM 0 H LYS A 34 0.776 -9.190 -0.935 1.00 73.42 H new ATOM 0 HA LYS A 34 3.003 -7.698 -1.602 1.00 32.12 H new ATOM 0 HB2 LYS A 34 3.031 -9.271 0.217 1.00 74.42 H new ATOM 0 HB3 LYS A 34 2.530 -10.596 -0.814 1.00 74.42 H new ATOM 0 HG2 LYS A 34 5.108 -9.351 -1.586 1.00 21.33 H new ATOM 0 HG3 LYS A 34 5.108 -10.115 -0.008 1.00 21.33 H new ATOM 0 HD2 LYS A 34 4.295 -12.221 -0.971 1.00 24.43 H new ATOM 0 HD3 LYS A 34 4.111 -11.472 -2.545 1.00 24.43 H new ATOM 0 HE2 LYS A 34 6.551 -11.064 -2.651 1.00 20.12 H new ATOM 0 HE3 LYS A 34 6.749 -11.771 -1.060 1.00 20.12 H new ATOM 0 HZ1 LYS A 34 7.250 -13.363 -2.795 1.00 51.01 H new ATOM 0 HZ2 LYS A 34 5.888 -13.871 -1.917 1.00 51.01 H new ATOM 0 HZ3 LYS A 34 5.697 -13.186 -3.458 1.00 51.01 H new ATOM 575 N SER A 35 2.606 -10.158 -3.759 1.00 25.15 N ATOM 576 CA SER A 35 3.089 -10.661 -5.039 1.00 3.05 C ATOM 577 C SER A 35 2.550 -9.834 -6.207 1.00 4.20 C ATOM 578 O SER A 35 3.157 -9.790 -7.279 1.00 14.30 O ATOM 579 CB SER A 35 2.702 -12.134 -5.199 1.00 51.43 C ATOM 580 OG SER A 35 3.186 -12.902 -4.106 1.00 14.22 O ATOM 0 H SER A 35 1.879 -10.729 -3.328 1.00 25.15 H new ATOM 0 HA SER A 35 4.175 -10.573 -5.050 1.00 3.05 H new ATOM 0 HB2 SER A 35 1.618 -12.225 -5.262 1.00 51.43 H new ATOM 0 HB3 SER A 35 3.110 -12.523 -6.132 1.00 51.43 H new ATOM 0 HG SER A 35 3.219 -13.848 -4.360 1.00 14.22 H new ATOM 586 N CYS A 36 1.425 -9.166 -5.993 1.00 33.04 N ATOM 587 CA CYS A 36 0.817 -8.347 -7.034 1.00 12.34 C ATOM 588 C CYS A 36 1.497 -6.987 -7.145 1.00 13.25 C ATOM 589 O CYS A 36 1.801 -6.521 -8.240 1.00 25.44 O ATOM 590 CB CYS A 36 -0.670 -8.168 -6.755 1.00 50.10 C ATOM 591 SG CYS A 36 -1.645 -9.667 -7.026 1.00 45.42 S ATOM 0 H CYS A 36 0.915 -9.175 -5.110 1.00 33.04 H new ATOM 0 HA CYS A 36 0.947 -8.863 -7.985 1.00 12.34 H new ATOM 0 HB2 CYS A 36 -0.801 -7.842 -5.723 1.00 50.10 H new ATOM 0 HB3 CYS A 36 -1.057 -7.373 -7.392 1.00 50.10 H new ATOM 0 HG CYS A 36 -2.382 -9.900 -5.981 1.00 45.42 H new ATOM 597 N MET A 37 1.735 -6.360 -6.004 1.00 23.32 N ATOM 598 CA MET A 37 2.398 -5.057 -5.955 1.00 24.53 C ATOM 599 C MET A 37 3.816 -5.133 -6.528 1.00 32.43 C ATOM 600 O MET A 37 4.355 -4.138 -7.014 1.00 41.14 O ATOM 601 CB MET A 37 2.427 -4.545 -4.511 1.00 35.20 C ATOM 602 CG MET A 37 1.040 -4.280 -3.937 1.00 63.22 C ATOM 603 SD MET A 37 1.036 -4.089 -2.142 1.00 5.35 S ATOM 604 CE MET A 37 2.058 -2.633 -1.942 1.00 65.54 C ATOM 0 H MET A 37 1.478 -6.732 -5.090 1.00 23.32 H new ATOM 0 HA MET A 37 1.832 -4.359 -6.571 1.00 24.53 H new ATOM 0 HB2 MET A 37 2.938 -5.275 -3.884 1.00 35.20 H new ATOM 0 HB3 MET A 37 3.011 -3.626 -4.471 1.00 35.20 H new ATOM 0 HG2 MET A 37 0.632 -3.378 -4.393 1.00 63.22 H new ATOM 0 HG3 MET A 37 0.378 -5.102 -4.210 1.00 63.22 H new ATOM 0 HE1 MET A 37 2.901 -2.867 -1.292 1.00 65.54 H new ATOM 0 HE2 MET A 37 2.429 -2.312 -2.916 1.00 65.54 H new ATOM 0 HE3 MET A 37 1.467 -1.832 -1.497 1.00 65.54 H new ATOM 614 N ARG A 38 4.422 -6.311 -6.448 1.00 74.20 N ATOM 615 CA ARG A 38 5.739 -6.542 -7.026 1.00 1.10 C ATOM 616 C ARG A 38 5.672 -6.762 -8.538 1.00 13.52 C ATOM 617 O ARG A 38 6.646 -6.512 -9.247 1.00 23.44 O ATOM 618 CB ARG A 38 6.401 -7.750 -6.373 1.00 3.30 C ATOM 619 CG ARG A 38 6.996 -7.468 -5.008 1.00 34.34 C ATOM 620 CD ARG A 38 7.935 -8.585 -4.579 1.00 61.13 C ATOM 621 NE ARG A 38 9.043 -8.760 -5.521 1.00 12.21 N ATOM 622 CZ ARG A 38 10.140 -9.471 -5.263 1.00 41.14 C ATOM 623 NH1 ARG A 38 10.277 -10.102 -4.103 1.00 11.50 N ATOM 624 NH2 ARG A 38 11.106 -9.558 -6.170 1.00 50.34 N ATOM 0 H ARG A 38 4.019 -7.126 -5.985 1.00 74.20 H new ATOM 0 HA ARG A 38 6.331 -5.646 -6.838 1.00 1.10 H new ATOM 0 HB2 ARG A 38 5.664 -8.547 -6.278 1.00 3.30 H new ATOM 0 HB3 ARG A 38 7.188 -8.119 -7.031 1.00 3.30 H new ATOM 0 HG2 ARG A 38 7.538 -6.522 -5.032 1.00 34.34 H new ATOM 0 HG3 ARG A 38 6.197 -7.359 -4.275 1.00 34.34 H new ATOM 0 HD2 ARG A 38 8.332 -8.365 -3.588 1.00 61.13 H new ATOM 0 HD3 ARG A 38 7.377 -9.518 -4.498 1.00 61.13 H new ATOM 0 HE ARG A 38 8.970 -8.309 -6.433 1.00 12.21 H new ATOM 0 HH11 ARG A 38 9.539 -10.045 -3.401 1.00 11.50 H new ATOM 0 HH12 ARG A 38 11.120 -10.644 -3.914 1.00 11.50 H new ATOM 0 HH21 ARG A 38 11.009 -9.080 -7.066 1.00 50.34 H new ATOM 0 HH22 ARG A 38 11.945 -10.103 -5.971 1.00 50.34 H new ATOM 638 N LYS A 39 4.525 -7.242 -9.004 1.00 42.22 N ATOM 639 CA LYS A 39 4.351 -7.716 -10.370 1.00 62.31 C ATOM 640 C LYS A 39 4.783 -6.720 -11.440 1.00 30.31 C ATOM 641 O LYS A 39 5.682 -7.015 -12.225 1.00 2.21 O ATOM 642 CB LYS A 39 2.888 -8.084 -10.595 1.00 51.35 C ATOM 643 CG LYS A 39 2.668 -9.524 -11.023 1.00 21.23 C ATOM 644 CD LYS A 39 3.406 -9.833 -12.311 1.00 73.11 C ATOM 645 CE LYS A 39 4.867 -10.181 -12.064 1.00 43.33 C ATOM 646 NZ LYS A 39 5.032 -11.537 -11.481 1.00 40.25 N ATOM 0 H LYS A 39 3.680 -7.313 -8.437 1.00 42.22 H new ATOM 0 HA LYS A 39 5.004 -8.582 -10.474 1.00 62.31 H new ATOM 0 HB2 LYS A 39 2.333 -7.901 -9.675 1.00 51.35 H new ATOM 0 HB3 LYS A 39 2.471 -7.423 -11.355 1.00 51.35 H new ATOM 0 HG2 LYS A 39 3.009 -10.196 -10.235 1.00 21.23 H new ATOM 0 HG3 LYS A 39 1.602 -9.707 -11.159 1.00 21.23 H new ATOM 0 HD2 LYS A 39 2.916 -10.664 -12.818 1.00 73.11 H new ATOM 0 HD3 LYS A 39 3.346 -8.973 -12.978 1.00 73.11 H new ATOM 0 HE2 LYS A 39 5.416 -10.123 -13.004 1.00 43.33 H new ATOM 0 HE3 LYS A 39 5.306 -9.443 -11.392 1.00 43.33 H new ATOM 0 HZ1 LYS A 39 6.039 -11.797 -11.487 1.00 40.25 H new ATOM 0 HZ2 LYS A 39 4.680 -11.539 -10.502 1.00 40.25 H new ATOM 0 HZ3 LYS A 39 4.493 -12.225 -12.045 1.00 40.25 H new ATOM 660 N PHE A 40 4.108 -5.577 -11.483 1.00 11.31 N ATOM 661 CA PHE A 40 4.313 -4.580 -12.539 1.00 1.54 C ATOM 662 C PHE A 40 5.801 -4.318 -12.785 1.00 22.34 C ATOM 663 O PHE A 40 6.260 -4.393 -13.923 1.00 52.32 O ATOM 664 CB PHE A 40 3.590 -3.274 -12.186 1.00 1.53 C ATOM 665 CG PHE A 40 3.441 -2.335 -13.352 1.00 72.14 C ATOM 666 CD1 PHE A 40 2.471 -2.563 -14.315 1.00 34.15 C ATOM 667 CD2 PHE A 40 4.265 -1.229 -13.483 1.00 14.22 C ATOM 668 CE1 PHE A 40 2.328 -1.707 -15.390 1.00 62.03 C ATOM 669 CE2 PHE A 40 4.126 -0.369 -14.557 1.00 34.54 C ATOM 670 CZ PHE A 40 3.156 -0.610 -15.511 1.00 51.12 C ATOM 0 H PHE A 40 3.406 -5.312 -10.793 1.00 11.31 H new ATOM 0 HA PHE A 40 3.891 -4.980 -13.461 1.00 1.54 H new ATOM 0 HB2 PHE A 40 2.602 -3.511 -11.792 1.00 1.53 H new ATOM 0 HB3 PHE A 40 4.138 -2.769 -11.391 1.00 1.53 H new ATOM 0 HD1 PHE A 40 1.819 -3.420 -14.224 1.00 34.15 H new ATOM 0 HD2 PHE A 40 5.024 -1.036 -12.739 1.00 14.22 H new ATOM 0 HE1 PHE A 40 1.569 -1.896 -16.135 1.00 62.03 H new ATOM 0 HE2 PHE A 40 4.775 0.490 -14.650 1.00 34.54 H new ATOM 0 HZ PHE A 40 3.046 0.060 -16.351 1.00 51.12 H new ATOM 680 N LYS A 41 6.534 -4.038 -11.706 1.00 11.13 N ATOM 681 CA LYS A 41 7.997 -3.868 -11.745 1.00 13.31 C ATOM 682 C LYS A 41 8.485 -2.936 -12.869 1.00 52.43 C ATOM 683 O LYS A 41 8.694 -3.364 -14.005 1.00 44.21 O ATOM 684 CB LYS A 41 8.679 -5.240 -11.875 1.00 72.23 C ATOM 685 CG LYS A 41 10.192 -5.172 -12.046 1.00 65.54 C ATOM 686 CD LYS A 41 10.798 -6.558 -12.221 1.00 43.53 C ATOM 687 CE LYS A 41 12.279 -6.479 -12.566 1.00 30.23 C ATOM 688 NZ LYS A 41 12.507 -5.916 -13.923 1.00 50.44 N ATOM 0 H LYS A 41 6.133 -3.921 -10.775 1.00 11.13 H new ATOM 0 HA LYS A 41 8.274 -3.389 -10.806 1.00 13.31 H new ATOM 0 HB2 LYS A 41 8.451 -5.832 -10.989 1.00 72.23 H new ATOM 0 HB3 LYS A 41 8.251 -5.766 -12.728 1.00 72.23 H new ATOM 0 HG2 LYS A 41 10.434 -4.556 -12.912 1.00 65.54 H new ATOM 0 HG3 LYS A 41 10.636 -4.687 -11.177 1.00 65.54 H new ATOM 0 HD2 LYS A 41 10.667 -7.132 -11.304 1.00 43.53 H new ATOM 0 HD3 LYS A 41 10.267 -7.092 -13.010 1.00 43.53 H new ATOM 0 HE2 LYS A 41 12.791 -5.862 -11.827 1.00 30.23 H new ATOM 0 HE3 LYS A 41 12.718 -7.475 -12.509 1.00 30.23 H new ATOM 0 HZ1 LYS A 41 13.490 -6.096 -14.213 1.00 50.44 H new ATOM 0 HZ2 LYS A 41 11.859 -6.367 -14.599 1.00 50.44 H new ATOM 0 HZ3 LYS A 41 12.333 -4.891 -13.907 1.00 50.44 H new ATOM 702 N GLU A 42 8.675 -1.660 -12.556 1.00 73.30 N ATOM 703 CA GLU A 42 9.331 -0.752 -13.488 1.00 54.12 C ATOM 704 C GLU A 42 10.839 -0.755 -13.250 1.00 71.24 C ATOM 705 O GLU A 42 11.580 -1.493 -13.892 1.00 3.24 O ATOM 706 CB GLU A 42 8.783 0.668 -13.358 1.00 41.25 C ATOM 707 CG GLU A 42 7.400 0.851 -13.952 1.00 63.53 C ATOM 708 CD GLU A 42 6.988 2.307 -14.014 1.00 51.41 C ATOM 709 OE1 GLU A 42 7.585 3.061 -14.816 1.00 64.41 O ATOM 710 OE2 GLU A 42 6.069 2.704 -13.270 1.00 24.31 O ATOM 0 H GLU A 42 8.388 -1.234 -11.675 1.00 73.30 H new ATOM 0 HA GLU A 42 9.126 -1.102 -14.500 1.00 54.12 H new ATOM 0 HB2 GLU A 42 8.753 0.940 -12.303 1.00 41.25 H new ATOM 0 HB3 GLU A 42 9.471 1.358 -13.846 1.00 41.25 H new ATOM 0 HG2 GLU A 42 7.379 0.427 -14.956 1.00 63.53 H new ATOM 0 HG3 GLU A 42 6.675 0.296 -13.357 1.00 63.53 H new ATOM 717 N TYR A 43 11.284 0.064 -12.308 1.00 63.42 N ATOM 718 CA TYR A 43 12.692 0.108 -11.921 1.00 1.33 C ATOM 719 C TYR A 43 12.846 -0.324 -10.472 1.00 35.14 C ATOM 720 O TYR A 43 13.888 -0.105 -9.858 1.00 33.23 O ATOM 721 CB TYR A 43 13.251 1.522 -12.094 1.00 21.54 C ATOM 722 CG TYR A 43 13.552 1.903 -13.524 1.00 51.23 C ATOM 723 CD1 TYR A 43 12.532 2.165 -14.430 1.00 21.45 C ATOM 724 CD2 TYR A 43 14.863 2.013 -13.961 1.00 20.01 C ATOM 725 CE1 TYR A 43 12.816 2.531 -15.731 1.00 52.10 C ATOM 726 CE2 TYR A 43 15.152 2.374 -15.258 1.00 72.30 C ATOM 727 CZ TYR A 43 14.129 2.631 -16.139 1.00 53.44 C ATOM 728 OH TYR A 43 14.420 3.006 -17.430 1.00 14.34 O ATOM 0 H TYR A 43 10.688 0.712 -11.793 1.00 63.42 H new ATOM 0 HA TYR A 43 13.248 -0.574 -12.565 1.00 1.33 H new ATOM 0 HB2 TYR A 43 12.536 2.235 -11.684 1.00 21.54 H new ATOM 0 HB3 TYR A 43 14.165 1.613 -11.507 1.00 21.54 H new ATOM 0 HD1 TYR A 43 11.503 2.081 -14.113 1.00 21.45 H new ATOM 0 HD2 TYR A 43 15.671 1.812 -13.273 1.00 20.01 H new ATOM 0 HE1 TYR A 43 12.014 2.738 -16.425 1.00 52.10 H new ATOM 0 HE2 TYR A 43 16.179 2.455 -15.582 1.00 72.30 H new ATOM 0 HH TYR A 43 15.392 3.029 -17.553 1.00 14.34 H new ATOM 738 N CYS A 44 11.785 -0.945 -9.949 1.00 42.54 N ATOM 739 CA CYS A 44 11.679 -1.308 -8.532 1.00 34.21 C ATOM 740 C CYS A 44 11.451 -0.060 -7.677 1.00 1.03 C ATOM 741 O CYS A 44 11.309 -0.142 -6.461 1.00 41.12 O ATOM 742 CB CYS A 44 12.909 -2.087 -8.054 1.00 34.24 C ATOM 743 SG CYS A 44 13.220 -3.604 -8.990 1.00 74.34 S ATOM 0 H CYS A 44 10.969 -1.212 -10.500 1.00 42.54 H new ATOM 0 HA CYS A 44 10.818 -1.966 -8.419 1.00 34.21 H new ATOM 0 HB2 CYS A 44 13.785 -1.442 -8.123 1.00 34.24 H new ATOM 0 HB3 CYS A 44 12.781 -2.340 -7.002 1.00 34.24 H new ATOM 0 HG CYS A 44 14.278 -4.195 -8.519 1.00 74.34 H new ATOM 749 N GLU A 45 11.400 1.085 -8.344 1.00 63.33 N ATOM 750 CA GLU A 45 11.096 2.357 -7.711 1.00 52.43 C ATOM 751 C GLU A 45 9.616 2.655 -7.942 1.00 51.41 C ATOM 752 O GLU A 45 9.048 2.210 -8.945 1.00 53.53 O ATOM 753 CB GLU A 45 11.984 3.447 -8.333 1.00 11.41 C ATOM 754 CG GLU A 45 12.288 4.635 -7.427 1.00 50.33 C ATOM 755 CD GLU A 45 11.069 5.471 -7.105 1.00 35.31 C ATOM 756 OE1 GLU A 45 10.621 6.243 -7.978 1.00 24.42 O ATOM 757 OE2 GLU A 45 10.548 5.352 -5.979 1.00 53.31 O ATOM 0 H GLU A 45 11.570 1.156 -9.347 1.00 63.33 H new ATOM 0 HA GLU A 45 11.293 2.326 -6.639 1.00 52.43 H new ATOM 0 HB2 GLU A 45 12.927 2.994 -8.639 1.00 11.41 H new ATOM 0 HB3 GLU A 45 11.499 3.815 -9.237 1.00 11.41 H new ATOM 0 HG2 GLU A 45 12.726 4.271 -6.498 1.00 50.33 H new ATOM 0 HG3 GLU A 45 13.036 5.266 -7.906 1.00 50.33 H new ATOM 764 N GLY A 46 8.991 3.384 -7.028 1.00 24.23 N ATOM 765 CA GLY A 46 7.581 3.677 -7.168 1.00 41.32 C ATOM 766 C GLY A 46 7.007 4.428 -5.984 1.00 42.12 C ATOM 767 O GLY A 46 6.705 3.822 -4.954 1.00 55.41 O ATOM 0 H GLY A 46 9.433 3.776 -6.196 1.00 24.23 H new ATOM 0 HA2 GLY A 46 7.427 4.265 -8.073 1.00 41.32 H new ATOM 0 HA3 GLY A 46 7.034 2.743 -7.298 1.00 41.32 H new ATOM 771 N LEU A 47 6.887 5.751 -6.135 1.00 33.43 N ATOM 772 CA LEU A 47 6.191 6.613 -5.173 1.00 21.24 C ATOM 773 C LEU A 47 7.017 6.829 -3.906 1.00 42.54 C ATOM 774 O LEU A 47 7.475 5.884 -3.266 1.00 44.03 O ATOM 775 CB LEU A 47 4.797 6.037 -4.847 1.00 35.45 C ATOM 776 CG LEU A 47 3.893 6.874 -3.923 1.00 4.32 C ATOM 777 CD1 LEU A 47 4.220 6.627 -2.458 1.00 24.41 C ATOM 778 CD2 LEU A 47 4.003 8.356 -4.256 1.00 44.45 C ATOM 0 H LEU A 47 7.272 6.257 -6.932 1.00 33.43 H new ATOM 0 HA LEU A 47 6.058 7.592 -5.633 1.00 21.24 H new ATOM 0 HB2 LEU A 47 4.268 5.879 -5.787 1.00 35.45 H new ATOM 0 HB3 LEU A 47 4.934 5.057 -4.390 1.00 35.45 H new ATOM 0 HG LEU A 47 2.863 6.559 -4.093 1.00 4.32 H new ATOM 0 HD11 LEU A 47 3.565 7.232 -1.832 1.00 24.41 H new ATOM 0 HD12 LEU A 47 4.072 5.573 -2.225 1.00 24.41 H new ATOM 0 HD13 LEU A 47 5.258 6.899 -2.266 1.00 24.41 H new ATOM 0 HD21 LEU A 47 3.356 8.927 -3.591 1.00 44.45 H new ATOM 0 HD22 LEU A 47 5.035 8.682 -4.127 1.00 44.45 H new ATOM 0 HD23 LEU A 47 3.697 8.520 -5.289 1.00 44.45 H new ATOM 790 N GLN A 48 7.204 8.093 -3.552 1.00 10.20 N ATOM 791 CA GLN A 48 7.924 8.450 -2.337 1.00 33.44 C ATOM 792 C GLN A 48 6.973 9.109 -1.344 1.00 63.41 C ATOM 793 O GLN A 48 5.775 9.217 -1.594 1.00 51.14 O ATOM 794 CB GLN A 48 9.103 9.381 -2.637 1.00 2.22 C ATOM 795 CG GLN A 48 10.481 8.769 -2.388 1.00 10.33 C ATOM 796 CD GLN A 48 10.943 7.801 -3.469 1.00 14.45 C ATOM 797 OE1 GLN A 48 10.023 7.061 -4.056 1.00 21.22 O flip ATOM 798 NE2 GLN A 48 12.134 7.699 -3.751 1.00 54.20 N flip ATOM 0 H GLN A 48 6.866 8.891 -4.091 1.00 10.20 H new ATOM 0 HA GLN A 48 8.325 7.535 -1.901 1.00 33.44 H new ATOM 0 HB2 GLN A 48 9.043 9.696 -3.679 1.00 2.22 H new ATOM 0 HB3 GLN A 48 9.004 10.279 -2.027 1.00 2.22 H new ATOM 0 HG2 GLN A 48 11.212 9.573 -2.300 1.00 10.33 H new ATOM 0 HG3 GLN A 48 10.466 8.246 -1.432 1.00 10.33 H new ATOM 0 HE21 GLN A 48 12.822 8.286 -3.279 1.00 54.20 H new ATOM 0 HE22 GLN A 48 12.435 7.027 -4.457 1.00 54.20 H new ATOM 807 N PHE A 49 7.518 9.584 -0.242 1.00 50.14 N ATOM 808 CA PHE A 49 6.700 10.002 0.894 1.00 2.23 C ATOM 809 C PHE A 49 6.149 11.421 0.757 1.00 32.35 C ATOM 810 O PHE A 49 5.135 11.752 1.367 1.00 3.00 O ATOM 811 CB PHE A 49 7.497 9.867 2.190 1.00 2.11 C ATOM 812 CG PHE A 49 7.681 8.438 2.624 1.00 55.45 C ATOM 813 CD1 PHE A 49 8.684 7.653 2.077 1.00 52.43 C ATOM 814 CD2 PHE A 49 6.835 7.877 3.568 1.00 63.33 C ATOM 815 CE1 PHE A 49 8.843 6.337 2.467 1.00 12.24 C ATOM 816 CE2 PHE A 49 6.989 6.561 3.961 1.00 41.00 C ATOM 817 CZ PHE A 49 7.993 5.790 3.410 1.00 10.40 C ATOM 0 H PHE A 49 8.523 9.693 -0.103 1.00 50.14 H new ATOM 0 HA PHE A 49 5.836 9.338 0.916 1.00 2.23 H new ATOM 0 HB2 PHE A 49 8.475 10.329 2.058 1.00 2.11 H new ATOM 0 HB3 PHE A 49 6.989 10.418 2.981 1.00 2.11 H new ATOM 0 HD1 PHE A 49 9.349 8.075 1.338 1.00 52.43 H new ATOM 0 HD2 PHE A 49 6.047 8.475 4.001 1.00 63.33 H new ATOM 0 HE1 PHE A 49 9.630 5.737 2.036 1.00 12.24 H new ATOM 0 HE2 PHE A 49 6.324 6.136 4.699 1.00 41.00 H new ATOM 0 HZ PHE A 49 8.114 4.761 3.715 1.00 10.40 H new ATOM 827 N HIS A 50 6.795 12.258 -0.038 1.00 21.41 N ATOM 828 CA HIS A 50 6.339 13.640 -0.191 1.00 32.14 C ATOM 829 C HIS A 50 5.332 13.747 -1.326 1.00 63.34 C ATOM 830 O HIS A 50 4.463 14.616 -1.329 1.00 15.21 O ATOM 831 CB HIS A 50 7.514 14.584 -0.440 1.00 72.32 C ATOM 832 CG HIS A 50 8.471 14.656 0.708 1.00 60.12 C ATOM 833 ND1 HIS A 50 8.208 15.352 1.866 1.00 0.45 N ATOM 834 CD2 HIS A 50 9.688 14.096 0.880 1.00 43.12 C ATOM 835 CE1 HIS A 50 9.222 15.218 2.699 1.00 54.32 C ATOM 836 NE2 HIS A 50 10.134 14.457 2.126 1.00 61.11 N ATOM 0 H HIS A 50 7.624 12.016 -0.581 1.00 21.41 H new ATOM 0 HA HIS A 50 5.855 13.936 0.740 1.00 32.14 H new ATOM 0 HB2 HIS A 50 8.050 14.257 -1.331 1.00 72.32 H new ATOM 0 HB3 HIS A 50 7.130 15.583 -0.647 1.00 72.32 H new ATOM 0 HD2 HIS A 50 10.213 13.478 0.167 1.00 43.12 H new ATOM 0 HE1 HIS A 50 9.293 15.657 3.683 1.00 54.32 H new ATOM 0 HE2 HIS A 50 11.024 14.182 2.541 1.00 61.11 H new ATOM 845 N GLU A 51 5.463 12.850 -2.284 1.00 33.34 N ATOM 846 CA GLU A 51 4.553 12.776 -3.415 1.00 54.04 C ATOM 847 C GLU A 51 3.348 11.900 -3.084 1.00 45.33 C ATOM 848 O GLU A 51 2.423 11.762 -3.888 1.00 51.22 O ATOM 849 CB GLU A 51 5.278 12.265 -4.676 1.00 1.34 C ATOM 850 CG GLU A 51 6.525 11.429 -4.410 1.00 54.10 C ATOM 851 CD GLU A 51 7.703 12.256 -3.919 1.00 1.30 C ATOM 852 OE1 GLU A 51 8.314 12.972 -4.734 1.00 1.20 O ATOM 853 OE2 GLU A 51 8.006 12.200 -2.706 1.00 74.11 O ATOM 0 H GLU A 51 6.204 12.150 -2.302 1.00 33.34 H new ATOM 0 HA GLU A 51 4.192 13.783 -3.624 1.00 54.04 H new ATOM 0 HB2 GLU A 51 4.578 11.669 -5.262 1.00 1.34 H new ATOM 0 HB3 GLU A 51 5.558 13.122 -5.288 1.00 1.34 H new ATOM 0 HG2 GLU A 51 6.291 10.664 -3.669 1.00 54.10 H new ATOM 0 HG3 GLU A 51 6.809 10.910 -5.325 1.00 54.10 H new ATOM 860 N LEU A 52 3.359 11.320 -1.890 1.00 74.11 N ATOM 861 CA LEU A 52 2.235 10.535 -1.404 1.00 30.54 C ATOM 862 C LEU A 52 1.178 11.476 -0.837 1.00 74.13 C ATOM 863 O LEU A 52 1.360 12.062 0.233 1.00 42.22 O ATOM 864 CB LEU A 52 2.713 9.527 -0.344 1.00 73.02 C ATOM 865 CG LEU A 52 1.719 8.423 0.059 1.00 43.55 C ATOM 866 CD1 LEU A 52 0.649 8.951 1.002 1.00 13.54 C ATOM 867 CD2 LEU A 52 1.077 7.800 -1.172 1.00 50.23 C ATOM 0 H LEU A 52 4.141 11.380 -1.238 1.00 74.11 H new ATOM 0 HA LEU A 52 1.795 9.968 -2.224 1.00 30.54 H new ATOM 0 HB2 LEU A 52 3.620 9.049 -0.714 1.00 73.02 H new ATOM 0 HB3 LEU A 52 2.988 10.082 0.553 1.00 73.02 H new ATOM 0 HG LEU A 52 2.282 7.654 0.588 1.00 43.55 H new ATOM 0 HD11 LEU A 52 -0.035 8.144 1.265 1.00 13.54 H new ATOM 0 HD12 LEU A 52 1.119 9.337 1.906 1.00 13.54 H new ATOM 0 HD13 LEU A 52 0.094 9.751 0.512 1.00 13.54 H new ATOM 0 HD21 LEU A 52 0.378 7.022 -0.864 1.00 50.23 H new ATOM 0 HD22 LEU A 52 0.542 8.568 -1.731 1.00 50.23 H new ATOM 0 HD23 LEU A 52 1.850 7.363 -1.804 1.00 50.23 H new ATOM 879 N THR A 53 0.095 11.645 -1.578 1.00 70.41 N ATOM 880 CA THR A 53 -0.974 12.546 -1.180 1.00 52.33 C ATOM 881 C THR A 53 -2.331 11.884 -1.381 1.00 72.11 C ATOM 882 O THR A 53 -2.416 10.785 -1.932 1.00 13.40 O ATOM 883 CB THR A 53 -0.943 13.845 -2.008 1.00 4.23 C ATOM 884 OG1 THR A 53 -1.068 13.528 -3.403 1.00 60.30 O ATOM 885 CG2 THR A 53 0.340 14.631 -1.772 1.00 4.44 C ATOM 0 H THR A 53 -0.067 11.167 -2.464 1.00 70.41 H new ATOM 0 HA THR A 53 -0.823 12.782 -0.127 1.00 52.33 H new ATOM 0 HB THR A 53 -1.779 14.468 -1.691 1.00 4.23 H new ATOM 0 HG1 THR A 53 -0.738 14.279 -3.940 1.00 60.30 H new ATOM 0 HG21 THR A 53 0.325 15.540 -2.373 1.00 4.44 H new ATOM 0 HG22 THR A 53 0.417 14.894 -0.717 1.00 4.44 H new ATOM 0 HG23 THR A 53 1.198 14.022 -2.057 1.00 4.44 H new ATOM 893 N GLU A 54 -3.383 12.561 -0.938 1.00 31.31 N ATOM 894 CA GLU A 54 -4.748 12.140 -1.230 1.00 21.01 C ATOM 895 C GLU A 54 -4.940 12.071 -2.744 1.00 34.55 C ATOM 896 O GLU A 54 -5.583 11.155 -3.264 1.00 42.12 O ATOM 897 CB GLU A 54 -5.741 13.118 -0.573 1.00 1.32 C ATOM 898 CG GLU A 54 -7.207 12.892 -0.928 1.00 44.52 C ATOM 899 CD GLU A 54 -7.615 13.564 -2.228 1.00 74.35 C ATOM 900 OE1 GLU A 54 -7.118 14.675 -2.505 1.00 34.32 O ATOM 901 OE2 GLU A 54 -8.444 12.993 -2.968 1.00 43.02 O ATOM 0 H GLU A 54 -3.317 13.407 -0.373 1.00 31.31 H new ATOM 0 HA GLU A 54 -4.936 11.148 -0.819 1.00 21.01 H new ATOM 0 HB2 GLU A 54 -5.631 13.050 0.509 1.00 1.32 H new ATOM 0 HB3 GLU A 54 -5.467 14.134 -0.857 1.00 1.32 H new ATOM 0 HG2 GLU A 54 -7.395 11.821 -1.005 1.00 44.52 H new ATOM 0 HG3 GLU A 54 -7.833 13.269 -0.119 1.00 44.52 H new ATOM 908 N ASP A 55 -4.345 13.035 -3.441 1.00 72.20 N ATOM 909 CA ASP A 55 -4.365 13.068 -4.900 1.00 53.31 C ATOM 910 C ASP A 55 -3.741 11.804 -5.474 1.00 10.22 C ATOM 911 O ASP A 55 -4.261 11.230 -6.430 1.00 22.35 O ATOM 912 CB ASP A 55 -3.616 14.300 -5.422 1.00 13.11 C ATOM 913 CG ASP A 55 -3.580 14.374 -6.941 1.00 71.32 C ATOM 914 OD1 ASP A 55 -4.511 14.958 -7.535 1.00 32.35 O ATOM 915 OD2 ASP A 55 -2.608 13.870 -7.547 1.00 4.31 O ATOM 0 H ASP A 55 -3.839 13.810 -3.014 1.00 72.20 H new ATOM 0 HA ASP A 55 -5.405 13.125 -5.222 1.00 53.31 H new ATOM 0 HB2 ASP A 55 -4.091 15.200 -5.031 1.00 13.11 H new ATOM 0 HB3 ASP A 55 -2.595 14.287 -5.040 1.00 13.11 H new ATOM 920 N PHE A 56 -2.633 11.361 -4.882 1.00 33.10 N ATOM 921 CA PHE A 56 -1.968 10.151 -5.349 1.00 72.42 C ATOM 922 C PHE A 56 -2.841 8.928 -5.100 1.00 42.11 C ATOM 923 O PHE A 56 -2.973 8.078 -5.976 1.00 42.42 O ATOM 924 CB PHE A 56 -0.599 9.950 -4.692 1.00 72.24 C ATOM 925 CG PHE A 56 0.128 8.755 -5.249 1.00 71.21 C ATOM 926 CD1 PHE A 56 0.887 8.870 -6.401 1.00 41.02 C ATOM 927 CD2 PHE A 56 0.033 7.515 -4.634 1.00 0.42 C ATOM 928 CE1 PHE A 56 1.539 7.773 -6.932 1.00 35.13 C ATOM 929 CE2 PHE A 56 0.686 6.415 -5.158 1.00 72.23 C ATOM 930 CZ PHE A 56 1.438 6.544 -6.309 1.00 4.34 C ATOM 0 H PHE A 56 -2.183 11.817 -4.088 1.00 33.10 H new ATOM 0 HA PHE A 56 -1.809 10.273 -6.420 1.00 72.42 H new ATOM 0 HB2 PHE A 56 0.008 10.844 -4.839 1.00 72.24 H new ATOM 0 HB3 PHE A 56 -0.728 9.826 -3.617 1.00 72.24 H new ATOM 0 HD1 PHE A 56 0.971 9.829 -6.891 1.00 41.02 H new ATOM 0 HD2 PHE A 56 -0.558 7.408 -3.736 1.00 0.42 H new ATOM 0 HE1 PHE A 56 2.126 7.876 -7.832 1.00 35.13 H new ATOM 0 HE2 PHE A 56 0.608 5.456 -4.668 1.00 72.23 H new ATOM 0 HZ PHE A 56 1.947 5.685 -6.722 1.00 4.34 H new ATOM 940 N LEU A 57 -3.433 8.834 -3.912 1.00 1.33 N ATOM 941 CA LEU A 57 -4.353 7.745 -3.602 1.00 22.42 C ATOM 942 C LEU A 57 -5.463 7.684 -4.645 1.00 42.52 C ATOM 943 O LEU A 57 -5.838 6.610 -5.116 1.00 35.41 O ATOM 944 CB LEU A 57 -4.955 7.933 -2.204 1.00 70.00 C ATOM 945 CG LEU A 57 -4.132 7.369 -1.038 1.00 53.13 C ATOM 946 CD1 LEU A 57 -4.119 5.852 -1.080 1.00 60.45 C ATOM 947 CD2 LEU A 57 -2.709 7.903 -1.048 1.00 2.55 C ATOM 0 H LEU A 57 -3.292 9.498 -3.150 1.00 1.33 H new ATOM 0 HA LEU A 57 -3.798 6.807 -3.619 1.00 22.42 H new ATOM 0 HB2 LEU A 57 -5.105 8.999 -2.035 1.00 70.00 H new ATOM 0 HB3 LEU A 57 -5.940 7.466 -2.188 1.00 70.00 H new ATOM 0 HG LEU A 57 -4.608 7.696 -0.113 1.00 53.13 H new ATOM 0 HD11 LEU A 57 -3.531 5.470 -0.246 1.00 60.45 H new ATOM 0 HD12 LEU A 57 -5.140 5.477 -1.006 1.00 60.45 H new ATOM 0 HD13 LEU A 57 -3.677 5.518 -2.019 1.00 60.45 H new ATOM 0 HD21 LEU A 57 -2.156 7.482 -0.208 1.00 2.55 H new ATOM 0 HD22 LEU A 57 -2.221 7.621 -1.981 1.00 2.55 H new ATOM 0 HD23 LEU A 57 -2.727 8.989 -0.962 1.00 2.55 H new ATOM 959 N ARG A 58 -5.963 8.854 -5.013 1.00 40.54 N ATOM 960 CA ARG A 58 -6.973 8.977 -6.054 1.00 40.21 C ATOM 961 C ARG A 58 -6.411 8.587 -7.428 1.00 72.23 C ATOM 962 O ARG A 58 -7.060 7.869 -8.190 1.00 42.14 O ATOM 963 CB ARG A 58 -7.527 10.414 -6.047 1.00 64.02 C ATOM 964 CG ARG A 58 -8.090 10.900 -7.374 1.00 23.34 C ATOM 965 CD ARG A 58 -7.033 11.654 -8.165 1.00 55.12 C ATOM 966 NE ARG A 58 -7.524 12.115 -9.456 1.00 15.33 N ATOM 967 CZ ARG A 58 -6.746 12.316 -10.514 1.00 74.31 C ATOM 968 NH1 ARG A 58 -5.450 12.035 -10.450 1.00 73.33 N ATOM 969 NH2 ARG A 58 -7.265 12.789 -11.635 1.00 62.34 N ATOM 0 H ARG A 58 -5.681 9.743 -4.600 1.00 40.54 H new ATOM 0 HA ARG A 58 -7.789 8.284 -5.849 1.00 40.21 H new ATOM 0 HB2 ARG A 58 -8.311 10.480 -5.293 1.00 64.02 H new ATOM 0 HB3 ARG A 58 -6.731 11.091 -5.739 1.00 64.02 H new ATOM 0 HG2 ARG A 58 -8.448 10.050 -7.955 1.00 23.34 H new ATOM 0 HG3 ARG A 58 -8.948 11.548 -7.195 1.00 23.34 H new ATOM 0 HD2 ARG A 58 -6.691 12.510 -7.583 1.00 55.12 H new ATOM 0 HD3 ARG A 58 -6.169 11.007 -8.319 1.00 55.12 H new ATOM 0 HE ARG A 58 -8.523 12.294 -9.554 1.00 15.33 H new ATOM 0 HH11 ARG A 58 -5.051 11.664 -9.588 1.00 73.33 H new ATOM 0 HH12 ARG A 58 -4.854 12.190 -11.263 1.00 73.33 H new ATOM 0 HH21 ARG A 58 -8.262 12.999 -11.687 1.00 62.34 H new ATOM 0 HH22 ARG A 58 -6.668 12.944 -12.448 1.00 62.34 H new ATOM 983 N ASP A 59 -5.202 9.046 -7.730 1.00 22.31 N ATOM 984 CA ASP A 59 -4.583 8.797 -9.034 1.00 54.25 C ATOM 985 C ASP A 59 -4.221 7.328 -9.199 1.00 53.53 C ATOM 986 O ASP A 59 -4.456 6.735 -10.250 1.00 2.15 O ATOM 987 CB ASP A 59 -3.334 9.664 -9.212 1.00 14.13 C ATOM 988 CG ASP A 59 -2.707 9.502 -10.585 1.00 55.40 C ATOM 989 OD1 ASP A 59 -3.260 10.050 -11.560 1.00 71.33 O ATOM 990 OD2 ASP A 59 -1.650 8.841 -10.691 1.00 15.12 O ATOM 0 H ASP A 59 -4.627 9.594 -7.090 1.00 22.31 H new ATOM 0 HA ASP A 59 -5.311 9.061 -9.801 1.00 54.25 H new ATOM 0 HB2 ASP A 59 -3.597 10.710 -9.057 1.00 14.13 H new ATOM 0 HB3 ASP A 59 -2.602 9.402 -8.448 1.00 14.13 H new ATOM 995 N TYR A 60 -3.669 6.738 -8.149 1.00 43.33 N ATOM 996 CA TYR A 60 -3.274 5.338 -8.179 1.00 14.30 C ATOM 997 C TYR A 60 -4.509 4.452 -8.291 1.00 54.14 C ATOM 998 O TYR A 60 -4.466 3.388 -8.904 1.00 74.42 O ATOM 999 CB TYR A 60 -2.467 4.981 -6.928 1.00 33.20 C ATOM 1000 CG TYR A 60 -1.730 3.664 -7.041 1.00 32.22 C ATOM 1001 CD1 TYR A 60 -0.757 3.479 -8.015 1.00 4.14 C ATOM 1002 CD2 TYR A 60 -2.011 2.607 -6.184 1.00 32.43 C ATOM 1003 CE1 TYR A 60 -0.083 2.280 -8.132 1.00 30.20 C ATOM 1004 CE2 TYR A 60 -1.339 1.405 -6.295 1.00 24.34 C ATOM 1005 CZ TYR A 60 -0.377 1.247 -7.270 1.00 74.04 C ATOM 1006 OH TYR A 60 0.291 0.049 -7.386 1.00 61.44 O ATOM 0 H TYR A 60 -3.484 7.209 -7.263 1.00 43.33 H new ATOM 0 HA TYR A 60 -2.641 5.170 -9.051 1.00 14.30 H new ATOM 0 HB2 TYR A 60 -1.747 5.775 -6.731 1.00 33.20 H new ATOM 0 HB3 TYR A 60 -3.139 4.940 -6.071 1.00 33.20 H new ATOM 0 HD1 TYR A 60 -0.524 4.287 -8.692 1.00 4.14 H new ATOM 0 HD2 TYR A 60 -2.765 2.727 -5.420 1.00 32.43 H new ATOM 0 HE1 TYR A 60 0.671 2.153 -8.895 1.00 30.20 H new ATOM 0 HE2 TYR A 60 -1.566 0.592 -5.621 1.00 24.34 H new ATOM 0 HH TYR A 60 -0.033 -0.574 -6.702 1.00 61.44 H new ATOM 1016 N LEU A 61 -5.606 4.908 -7.697 1.00 1.30 N ATOM 1017 CA LEU A 61 -6.896 4.240 -7.832 1.00 61.13 C ATOM 1018 C LEU A 61 -7.305 4.176 -9.300 1.00 30.13 C ATOM 1019 O LEU A 61 -7.669 3.118 -9.812 1.00 62.51 O ATOM 1020 CB LEU A 61 -7.949 4.997 -7.019 1.00 22.24 C ATOM 1021 CG LEU A 61 -9.395 4.527 -7.184 1.00 33.02 C ATOM 1022 CD1 LEU A 61 -9.576 3.127 -6.629 1.00 25.51 C ATOM 1023 CD2 LEU A 61 -10.347 5.497 -6.506 1.00 41.31 C ATOM 0 H LEU A 61 -5.627 5.744 -7.113 1.00 1.30 H new ATOM 0 HA LEU A 61 -6.816 3.221 -7.453 1.00 61.13 H new ATOM 0 HB2 LEU A 61 -7.684 4.926 -5.964 1.00 22.24 H new ATOM 0 HB3 LEU A 61 -7.898 6.052 -7.290 1.00 22.24 H new ATOM 0 HG LEU A 61 -9.626 4.500 -8.249 1.00 33.02 H new ATOM 0 HD11 LEU A 61 -10.613 2.816 -6.758 1.00 25.51 H new ATOM 0 HD12 LEU A 61 -8.921 2.437 -7.161 1.00 25.51 H new ATOM 0 HD13 LEU A 61 -9.325 3.121 -5.568 1.00 25.51 H new ATOM 0 HD21 LEU A 61 -11.372 5.149 -6.632 1.00 41.31 H new ATOM 0 HD22 LEU A 61 -10.112 5.555 -5.443 1.00 41.31 H new ATOM 0 HD23 LEU A 61 -10.241 6.484 -6.955 1.00 41.31 H new ATOM 1035 N ILE A 62 -7.231 5.320 -9.968 1.00 5.03 N ATOM 1036 CA ILE A 62 -7.535 5.404 -11.392 1.00 71.43 C ATOM 1037 C ILE A 62 -6.571 4.540 -12.202 1.00 23.11 C ATOM 1038 O ILE A 62 -6.989 3.768 -13.064 1.00 40.52 O ATOM 1039 CB ILE A 62 -7.474 6.863 -11.899 1.00 70.23 C ATOM 1040 CG1 ILE A 62 -8.484 7.728 -11.137 1.00 10.31 C ATOM 1041 CG2 ILE A 62 -7.743 6.925 -13.396 1.00 23.15 C ATOM 1042 CD1 ILE A 62 -8.456 9.191 -11.527 1.00 75.53 C ATOM 0 H ILE A 62 -6.962 6.208 -9.544 1.00 5.03 H new ATOM 0 HA ILE A 62 -8.551 5.034 -11.528 1.00 71.43 H new ATOM 0 HB ILE A 62 -6.472 7.251 -11.718 1.00 70.23 H new ATOM 0 HG12 ILE A 62 -9.486 7.335 -11.309 1.00 10.31 H new ATOM 0 HG13 ILE A 62 -8.287 7.643 -10.068 1.00 10.31 H new ATOM 0 HG21 ILE A 62 -7.695 7.961 -13.732 1.00 23.15 H new ATOM 0 HG22 ILE A 62 -6.993 6.337 -13.925 1.00 23.15 H new ATOM 0 HG23 ILE A 62 -8.734 6.521 -13.605 1.00 23.15 H new ATOM 0 HD11 ILE A 62 -9.198 9.737 -10.945 1.00 75.53 H new ATOM 0 HD12 ILE A 62 -7.466 9.601 -11.329 1.00 75.53 H new ATOM 0 HD13 ILE A 62 -8.684 9.289 -12.588 1.00 75.53 H new ATOM 1054 N TYR A 63 -5.282 4.660 -11.896 1.00 10.40 N ATOM 1055 CA TYR A 63 -4.241 3.877 -12.562 1.00 54.25 C ATOM 1056 C TYR A 63 -4.510 2.379 -12.404 1.00 52.33 C ATOM 1057 O TYR A 63 -4.286 1.589 -13.326 1.00 34.10 O ATOM 1058 CB TYR A 63 -2.873 4.237 -11.965 1.00 31.51 C ATOM 1059 CG TYR A 63 -1.681 3.701 -12.732 1.00 73.20 C ATOM 1060 CD1 TYR A 63 -1.178 2.428 -12.484 1.00 72.35 C ATOM 1061 CD2 TYR A 63 -1.047 4.478 -13.694 1.00 13.44 C ATOM 1062 CE1 TYR A 63 -0.081 1.947 -13.173 1.00 73.22 C ATOM 1063 CE2 TYR A 63 0.050 4.003 -14.388 1.00 21.44 C ATOM 1064 CZ TYR A 63 0.529 2.737 -14.126 1.00 2.30 C ATOM 1065 OH TYR A 63 1.623 2.261 -14.810 1.00 44.02 O ATOM 0 H TYR A 63 -4.929 5.299 -11.183 1.00 10.40 H new ATOM 0 HA TYR A 63 -4.245 4.112 -13.626 1.00 54.25 H new ATOM 0 HB2 TYR A 63 -2.792 5.323 -11.908 1.00 31.51 H new ATOM 0 HB3 TYR A 63 -2.828 3.860 -10.943 1.00 31.51 H new ATOM 0 HD1 TYR A 63 -1.653 1.805 -11.740 1.00 72.35 H new ATOM 0 HD2 TYR A 63 -1.418 5.471 -13.903 1.00 13.44 H new ATOM 0 HE1 TYR A 63 0.297 0.957 -12.967 1.00 73.22 H new ATOM 0 HE2 TYR A 63 0.530 4.621 -15.132 1.00 21.44 H new ATOM 0 HH TYR A 63 1.673 1.287 -14.710 1.00 44.02 H new ATOM 1075 N MET A 64 -5.000 2.003 -11.229 1.00 22.14 N ATOM 1076 CA MET A 64 -5.338 0.617 -10.924 1.00 61.52 C ATOM 1077 C MET A 64 -6.442 0.113 -11.848 1.00 14.51 C ATOM 1078 O MET A 64 -6.385 -1.007 -12.351 1.00 52.31 O ATOM 1079 CB MET A 64 -5.811 0.510 -9.475 1.00 21.32 C ATOM 1080 CG MET A 64 -6.006 -0.916 -8.990 1.00 71.44 C ATOM 1081 SD MET A 64 -4.584 -1.542 -8.076 1.00 14.41 S ATOM 1082 CE MET A 64 -4.441 -0.295 -6.794 1.00 24.21 C ATOM 0 H MET A 64 -5.175 2.650 -10.460 1.00 22.14 H new ATOM 0 HA MET A 64 -4.447 0.006 -11.072 1.00 61.52 H new ATOM 0 HB2 MET A 64 -5.086 1.006 -8.830 1.00 21.32 H new ATOM 0 HB3 MET A 64 -6.752 1.050 -9.370 1.00 21.32 H new ATOM 0 HG2 MET A 64 -6.890 -0.961 -8.354 1.00 71.44 H new ATOM 0 HG3 MET A 64 -6.196 -1.564 -9.846 1.00 71.44 H new ATOM 0 HE1 MET A 64 -4.025 -0.746 -5.893 1.00 24.21 H new ATOM 0 HE2 MET A 64 -3.784 0.505 -7.136 1.00 24.21 H new ATOM 0 HE3 MET A 64 -5.427 0.114 -6.573 1.00 24.21 H new ATOM 1092 N LYS A 65 -7.441 0.950 -12.065 1.00 34.42 N ATOM 1093 CA LYS A 65 -8.591 0.581 -12.878 1.00 14.10 C ATOM 1094 C LYS A 65 -8.250 0.678 -14.365 1.00 63.34 C ATOM 1095 O LYS A 65 -8.622 -0.186 -15.160 1.00 51.24 O ATOM 1096 CB LYS A 65 -9.779 1.489 -12.516 1.00 40.13 C ATOM 1097 CG LYS A 65 -11.114 1.080 -13.128 1.00 71.51 C ATOM 1098 CD LYS A 65 -11.292 1.632 -14.534 1.00 0.45 C ATOM 1099 CE LYS A 65 -12.631 1.231 -15.125 1.00 3.31 C ATOM 1100 NZ LYS A 65 -12.805 1.748 -16.507 1.00 54.43 N ATOM 0 H LYS A 65 -7.481 1.897 -11.687 1.00 34.42 H new ATOM 0 HA LYS A 65 -8.866 -0.454 -12.674 1.00 14.10 H new ATOM 0 HB2 LYS A 65 -9.885 1.508 -11.431 1.00 40.13 H new ATOM 0 HB3 LYS A 65 -9.548 2.506 -12.832 1.00 40.13 H new ATOM 0 HG2 LYS A 65 -11.182 -0.008 -13.155 1.00 71.51 H new ATOM 0 HG3 LYS A 65 -11.927 1.435 -12.494 1.00 71.51 H new ATOM 0 HD2 LYS A 65 -11.214 2.719 -14.512 1.00 0.45 H new ATOM 0 HD3 LYS A 65 -10.488 1.268 -15.173 1.00 0.45 H new ATOM 0 HE2 LYS A 65 -12.714 0.144 -15.131 1.00 3.31 H new ATOM 0 HE3 LYS A 65 -13.434 1.609 -14.493 1.00 3.31 H new ATOM 0 HZ1 LYS A 65 -13.732 1.452 -16.874 1.00 54.43 H new ATOM 0 HZ2 LYS A 65 -12.751 2.787 -16.498 1.00 54.43 H new ATOM 0 HZ3 LYS A 65 -12.054 1.368 -17.117 1.00 54.43 H new ATOM 1114 N LYS A 66 -7.522 1.725 -14.727 1.00 2.25 N ATOM 1115 CA LYS A 66 -7.189 1.991 -16.119 1.00 54.31 C ATOM 1116 C LYS A 66 -6.112 1.034 -16.632 1.00 30.41 C ATOM 1117 O LYS A 66 -6.367 0.209 -17.510 1.00 2.22 O ATOM 1118 CB LYS A 66 -6.706 3.436 -16.259 1.00 73.33 C ATOM 1119 CG LYS A 66 -6.409 3.861 -17.687 1.00 74.03 C ATOM 1120 CD LYS A 66 -7.680 4.017 -18.500 1.00 11.30 C ATOM 1121 CE LYS A 66 -7.383 4.601 -19.870 1.00 44.15 C ATOM 1122 NZ LYS A 66 -8.621 4.893 -20.635 1.00 40.41 N ATOM 0 H LYS A 66 -7.148 2.409 -14.069 1.00 2.25 H new ATOM 0 HA LYS A 66 -8.086 1.837 -16.719 1.00 54.31 H new ATOM 0 HB2 LYS A 66 -7.463 4.101 -15.844 1.00 73.33 H new ATOM 0 HB3 LYS A 66 -5.805 3.565 -15.659 1.00 73.33 H new ATOM 0 HG2 LYS A 66 -5.863 4.804 -17.680 1.00 74.03 H new ATOM 0 HG3 LYS A 66 -5.762 3.122 -18.160 1.00 74.03 H new ATOM 0 HD2 LYS A 66 -8.165 3.047 -18.612 1.00 11.30 H new ATOM 0 HD3 LYS A 66 -8.378 4.664 -17.969 1.00 11.30 H new ATOM 0 HE2 LYS A 66 -6.804 5.518 -19.755 1.00 44.15 H new ATOM 0 HE3 LYS A 66 -6.765 3.903 -20.435 1.00 44.15 H new ATOM 0 HZ1 LYS A 66 -8.370 5.290 -21.563 1.00 40.41 H new ATOM 0 HZ2 LYS A 66 -9.162 4.015 -20.769 1.00 40.41 H new ATOM 0 HZ3 LYS A 66 -9.200 5.579 -20.110 1.00 40.41 H new ATOM 1136 N THR A 67 -4.918 1.136 -16.064 1.00 42.03 N ATOM 1137 CA THR A 67 -3.777 0.368 -16.539 1.00 70.54 C ATOM 1138 C THR A 67 -3.791 -1.060 -15.999 1.00 63.52 C ATOM 1139 O THR A 67 -3.673 -2.021 -16.759 1.00 42.21 O ATOM 1140 CB THR A 67 -2.455 1.057 -16.147 1.00 71.32 C ATOM 1141 OG1 THR A 67 -2.497 2.437 -16.539 1.00 21.10 O ATOM 1142 CG2 THR A 67 -1.264 0.374 -16.813 1.00 44.01 C ATOM 0 H THR A 67 -4.715 1.745 -15.271 1.00 42.03 H new ATOM 0 HA THR A 67 -3.852 0.322 -17.625 1.00 70.54 H new ATOM 0 HB THR A 67 -2.336 0.982 -15.066 1.00 71.32 H new ATOM 0 HG1 THR A 67 -1.857 2.949 -16.002 1.00 21.10 H new ATOM 0 HG21 THR A 67 -0.344 0.880 -16.520 1.00 44.01 H new ATOM 0 HG22 THR A 67 -1.221 -0.669 -16.499 1.00 44.01 H new ATOM 0 HG23 THR A 67 -1.376 0.423 -17.896 1.00 44.01 H new ATOM 1150 N LEU A 68 -3.965 -1.200 -14.691 1.00 33.53 N ATOM 1151 CA LEU A 68 -3.872 -2.507 -14.050 1.00 74.13 C ATOM 1152 C LEU A 68 -5.139 -3.328 -14.275 1.00 70.41 C ATOM 1153 O LEU A 68 -5.150 -4.535 -14.036 1.00 61.54 O ATOM 1154 CB LEU A 68 -3.588 -2.351 -12.555 1.00 4.43 C ATOM 1155 CG LEU A 68 -2.292 -1.606 -12.216 1.00 62.13 C ATOM 1156 CD1 LEU A 68 -2.119 -1.489 -10.711 1.00 72.22 C ATOM 1157 CD2 LEU A 68 -1.091 -2.304 -12.837 1.00 65.53 C ATOM 0 H LEU A 68 -4.170 -0.429 -14.055 1.00 33.53 H new ATOM 0 HA LEU A 68 -3.042 -3.046 -14.507 1.00 74.13 H new ATOM 0 HB2 LEU A 68 -4.424 -1.823 -12.095 1.00 4.43 H new ATOM 0 HB3 LEU A 68 -3.549 -3.342 -12.103 1.00 4.43 H new ATOM 0 HG LEU A 68 -2.359 -0.602 -12.634 1.00 62.13 H new ATOM 0 HD11 LEU A 68 -1.193 -0.957 -10.491 1.00 72.22 H new ATOM 0 HD12 LEU A 68 -2.961 -0.941 -10.289 1.00 72.22 H new ATOM 0 HD13 LEU A 68 -2.078 -2.485 -10.271 1.00 72.22 H new ATOM 0 HD21 LEU A 68 -0.182 -1.758 -12.584 1.00 65.53 H new ATOM 0 HD22 LEU A 68 -1.023 -3.322 -12.452 1.00 65.53 H new ATOM 0 HD23 LEU A 68 -1.207 -2.333 -13.920 1.00 65.53 H new ATOM 1169 N CYS A 69 -6.197 -2.655 -14.725 1.00 34.35 N ATOM 1170 CA CYS A 69 -7.451 -3.309 -15.103 1.00 13.43 C ATOM 1171 C CYS A 69 -8.138 -3.966 -13.903 1.00 70.51 C ATOM 1172 O CYS A 69 -8.892 -4.930 -14.060 1.00 33.14 O ATOM 1173 CB CYS A 69 -7.194 -4.347 -16.200 1.00 10.11 C ATOM 1174 SG CYS A 69 -6.378 -3.678 -17.670 1.00 22.04 S ATOM 0 H CYS A 69 -6.210 -1.641 -14.838 1.00 34.35 H new ATOM 0 HA CYS A 69 -8.122 -2.539 -15.483 1.00 13.43 H new ATOM 0 HB2 CYS A 69 -6.581 -5.149 -15.790 1.00 10.11 H new ATOM 0 HB3 CYS A 69 -8.144 -4.791 -16.495 1.00 10.11 H new ATOM 0 HG CYS A 69 -5.313 -3.023 -17.315 1.00 22.04 H new ATOM 1180 N ASN A 70 -7.903 -3.434 -12.711 1.00 51.25 N ATOM 1181 CA ASN A 70 -8.523 -3.978 -11.511 1.00 23.23 C ATOM 1182 C ASN A 70 -9.652 -3.088 -11.025 1.00 20.23 C ATOM 1183 O ASN A 70 -9.644 -1.875 -11.236 1.00 63.40 O ATOM 1184 CB ASN A 70 -7.496 -4.188 -10.396 1.00 72.22 C ATOM 1185 CG ASN A 70 -6.860 -5.566 -10.449 1.00 63.54 C ATOM 1186 OD1 ASN A 70 -7.342 -6.503 -9.812 1.00 51.33 O ATOM 1187 ND2 ASN A 70 -5.791 -5.711 -11.217 1.00 73.54 N ATOM 0 H ASN A 70 -7.293 -2.633 -12.550 1.00 51.25 H new ATOM 0 HA ASN A 70 -8.940 -4.950 -11.776 1.00 23.23 H new ATOM 0 HB2 ASN A 70 -6.718 -3.428 -10.474 1.00 72.22 H new ATOM 0 HB3 ASN A 70 -7.980 -4.051 -9.429 1.00 72.22 H new ATOM 0 HD21 ASN A 70 -5.339 -6.622 -11.295 1.00 73.54 H new ATOM 0 HD22 ASN A 70 -5.420 -4.912 -11.730 1.00 73.54 H new ATOM 1194 N ALA A 71 -10.623 -3.706 -10.375 1.00 72.54 N ATOM 1195 CA ALA A 71 -11.812 -3.007 -9.909 1.00 64.43 C ATOM 1196 C ALA A 71 -11.533 -2.200 -8.645 1.00 42.42 C ATOM 1197 O ALA A 71 -10.504 -2.392 -7.984 1.00 12.45 O ATOM 1198 CB ALA A 71 -12.937 -3.998 -9.663 1.00 73.24 C ATOM 0 H ALA A 71 -10.612 -4.702 -10.155 1.00 72.54 H new ATOM 0 HA ALA A 71 -12.113 -2.306 -10.688 1.00 64.43 H new ATOM 0 HB1 ALA A 71 -13.822 -3.465 -9.315 1.00 73.24 H new ATOM 0 HB2 ALA A 71 -13.170 -4.521 -10.590 1.00 73.24 H new ATOM 0 HB3 ALA A 71 -12.627 -4.720 -8.907 1.00 73.24 H new ATOM 1204 N ASP A 72 -12.465 -1.307 -8.312 1.00 72.42 N ATOM 1205 CA ASP A 72 -12.336 -0.436 -7.143 1.00 23.32 C ATOM 1206 C ASP A 72 -12.132 -1.250 -5.869 1.00 54.45 C ATOM 1207 O ASP A 72 -11.335 -0.877 -5.013 1.00 41.01 O ATOM 1208 CB ASP A 72 -13.568 0.474 -6.989 1.00 54.13 C ATOM 1209 CG ASP A 72 -14.818 -0.272 -6.543 1.00 74.01 C ATOM 1210 OD1 ASP A 72 -15.443 -0.963 -7.378 1.00 24.34 O ATOM 1211 OD2 ASP A 72 -15.176 -0.178 -5.353 1.00 31.43 O ATOM 0 H ASP A 72 -13.326 -1.167 -8.841 1.00 72.42 H new ATOM 0 HA ASP A 72 -11.458 0.190 -7.302 1.00 23.32 H new ATOM 0 HB2 ASP A 72 -13.344 1.258 -6.265 1.00 54.13 H new ATOM 0 HB3 ASP A 72 -13.768 0.967 -7.940 1.00 54.13 H new ATOM 1216 N SER A 73 -12.833 -2.375 -5.763 1.00 1.51 N ATOM 1217 CA SER A 73 -12.753 -3.223 -4.582 1.00 0.35 C ATOM 1218 C SER A 73 -11.322 -3.714 -4.351 1.00 0.24 C ATOM 1219 O SER A 73 -10.835 -3.727 -3.219 1.00 21.10 O ATOM 1220 CB SER A 73 -13.711 -4.404 -4.728 1.00 13.14 C ATOM 1221 OG SER A 73 -15.018 -3.953 -5.053 1.00 33.41 O ATOM 0 H SER A 73 -13.465 -2.720 -6.485 1.00 1.51 H new ATOM 0 HA SER A 73 -13.044 -2.634 -3.712 1.00 0.35 H new ATOM 0 HB2 SER A 73 -13.350 -5.078 -5.505 1.00 13.14 H new ATOM 0 HB3 SER A 73 -13.738 -4.974 -3.799 1.00 13.14 H new ATOM 0 HG SER A 73 -15.617 -4.723 -5.144 1.00 33.41 H new ATOM 1227 N THR A 74 -10.645 -4.081 -5.431 1.00 21.34 N ATOM 1228 CA THR A 74 -9.273 -4.550 -5.347 1.00 53.24 C ATOM 1229 C THR A 74 -8.333 -3.382 -5.056 1.00 13.14 C ATOM 1230 O THR A 74 -7.425 -3.488 -4.228 1.00 40.44 O ATOM 1231 CB THR A 74 -8.846 -5.244 -6.655 1.00 42.42 C ATOM 1232 OG1 THR A 74 -9.856 -6.183 -7.060 1.00 51.53 O ATOM 1233 CG2 THR A 74 -7.523 -5.972 -6.479 1.00 60.24 C ATOM 0 H THR A 74 -11.027 -4.062 -6.377 1.00 21.34 H new ATOM 0 HA THR A 74 -9.214 -5.274 -4.534 1.00 53.24 H new ATOM 0 HB THR A 74 -8.723 -4.479 -7.421 1.00 42.42 H new ATOM 0 HG1 THR A 74 -9.581 -6.620 -7.893 1.00 51.53 H new ATOM 0 HG21 THR A 74 -7.245 -6.453 -7.417 1.00 60.24 H new ATOM 0 HG22 THR A 74 -6.750 -5.258 -6.194 1.00 60.24 H new ATOM 0 HG23 THR A 74 -7.624 -6.728 -5.700 1.00 60.24 H new ATOM 1241 N ALA A 75 -8.577 -2.261 -5.725 1.00 34.24 N ATOM 1242 CA ALA A 75 -7.766 -1.064 -5.554 1.00 32.51 C ATOM 1243 C ALA A 75 -7.831 -0.553 -4.121 1.00 72.13 C ATOM 1244 O ALA A 75 -6.805 -0.265 -3.509 1.00 31.23 O ATOM 1245 CB ALA A 75 -8.225 0.014 -6.521 1.00 65.32 C ATOM 0 H ALA A 75 -9.338 -2.157 -6.397 1.00 34.24 H new ATOM 0 HA ALA A 75 -6.729 -1.321 -5.769 1.00 32.51 H new ATOM 0 HB1 ALA A 75 -7.614 0.907 -6.388 1.00 65.32 H new ATOM 0 HB2 ALA A 75 -8.121 -0.347 -7.544 1.00 65.32 H new ATOM 0 HB3 ALA A 75 -9.270 0.257 -6.326 1.00 65.32 H new ATOM 1251 N GLN A 76 -9.046 -0.462 -3.590 1.00 1.44 N ATOM 1252 CA GLN A 76 -9.271 -0.001 -2.234 1.00 34.20 C ATOM 1253 C GLN A 76 -8.523 -0.861 -1.225 1.00 62.23 C ATOM 1254 O GLN A 76 -7.954 -0.352 -0.262 1.00 5.54 O ATOM 1255 CB GLN A 76 -10.769 -0.023 -1.940 1.00 54.22 C ATOM 1256 CG GLN A 76 -11.546 1.104 -2.601 1.00 41.33 C ATOM 1257 CD GLN A 76 -11.279 2.451 -1.957 1.00 40.03 C ATOM 1258 OE1 GLN A 76 -11.960 2.837 -1.006 1.00 43.33 O ATOM 1259 NE2 GLN A 76 -10.298 3.178 -2.471 1.00 60.51 N ATOM 0 H GLN A 76 -9.900 -0.707 -4.092 1.00 1.44 H new ATOM 0 HA GLN A 76 -8.891 1.017 -2.143 1.00 34.20 H new ATOM 0 HB2 GLN A 76 -11.180 -0.977 -2.271 1.00 54.22 H new ATOM 0 HB3 GLN A 76 -10.918 0.031 -0.862 1.00 54.22 H new ATOM 0 HG2 GLN A 76 -11.282 1.152 -3.658 1.00 41.33 H new ATOM 0 HG3 GLN A 76 -12.612 0.885 -2.548 1.00 41.33 H new ATOM 0 HE21 GLN A 76 -9.758 2.821 -3.259 1.00 60.51 H new ATOM 0 HE22 GLN A 76 -10.083 4.095 -2.079 1.00 60.51 H new ATOM 1268 N ARG A 77 -8.508 -2.163 -1.464 1.00 54.24 N ATOM 1269 CA ARG A 77 -7.829 -3.091 -0.574 1.00 14.24 C ATOM 1270 C ARG A 77 -6.317 -2.937 -0.666 1.00 62.52 C ATOM 1271 O ARG A 77 -5.622 -3.003 0.347 1.00 22.00 O ATOM 1272 CB ARG A 77 -8.249 -4.530 -0.875 1.00 65.22 C ATOM 1273 CG ARG A 77 -9.275 -5.068 0.109 1.00 1.05 C ATOM 1274 CD ARG A 77 -10.505 -4.178 0.186 1.00 32.13 C ATOM 1275 NE ARG A 77 -11.359 -4.529 1.321 1.00 22.42 N ATOM 1276 CZ ARG A 77 -12.356 -3.773 1.775 1.00 45.41 C ATOM 1277 NH1 ARG A 77 -12.633 -2.610 1.197 1.00 41.01 N ATOM 1278 NH2 ARG A 77 -13.059 -4.169 2.825 1.00 71.12 N ATOM 0 H ARG A 77 -8.959 -2.601 -2.267 1.00 54.24 H new ATOM 0 HA ARG A 77 -8.125 -2.854 0.448 1.00 14.24 H new ATOM 0 HB2 ARG A 77 -8.660 -4.579 -1.883 1.00 65.22 H new ATOM 0 HB3 ARG A 77 -7.367 -5.171 -0.859 1.00 65.22 H new ATOM 0 HG2 ARG A 77 -9.572 -6.073 -0.189 1.00 1.05 H new ATOM 0 HG3 ARG A 77 -8.823 -5.149 1.097 1.00 1.05 H new ATOM 0 HD2 ARG A 77 -10.195 -3.137 0.272 1.00 32.13 H new ATOM 0 HD3 ARG A 77 -11.075 -4.265 -0.739 1.00 32.13 H new ATOM 0 HE ARG A 77 -11.178 -5.413 1.797 1.00 22.42 H new ATOM 0 HH11 ARG A 77 -12.081 -2.292 0.401 1.00 41.01 H new ATOM 0 HH12 ARG A 77 -13.398 -2.035 1.549 1.00 41.01 H new ATOM 0 HH21 ARG A 77 -12.836 -5.052 3.284 1.00 71.12 H new ATOM 0 HH22 ARG A 77 -13.823 -3.591 3.174 1.00 71.12 H new ATOM 1292 N ASN A 78 -5.810 -2.718 -1.873 1.00 34.30 N ATOM 1293 CA ASN A 78 -4.381 -2.487 -2.061 1.00 61.13 C ATOM 1294 C ASN A 78 -3.964 -1.183 -1.394 1.00 22.11 C ATOM 1295 O ASN A 78 -2.899 -1.096 -0.778 1.00 4.53 O ATOM 1296 CB ASN A 78 -4.016 -2.465 -3.550 1.00 1.50 C ATOM 1297 CG ASN A 78 -4.105 -3.837 -4.193 1.00 12.32 C ATOM 1298 OD1 ASN A 78 -3.951 -4.860 -3.525 1.00 53.42 O ATOM 1299 ND2 ASN A 78 -4.335 -3.872 -5.499 1.00 43.13 N ATOM 0 H ASN A 78 -6.361 -2.695 -2.731 1.00 34.30 H new ATOM 0 HA ASN A 78 -3.841 -3.310 -1.594 1.00 61.13 H new ATOM 0 HB2 ASN A 78 -4.682 -1.779 -4.073 1.00 1.50 H new ATOM 0 HB3 ASN A 78 -3.004 -2.078 -3.666 1.00 1.50 H new ATOM 0 HD21 ASN A 78 -4.389 -4.768 -5.983 1.00 43.13 H new ATOM 0 HD22 ASN A 78 -4.457 -3.003 -6.019 1.00 43.13 H new ATOM 1306 N LEU A 79 -4.824 -0.183 -1.499 1.00 41.12 N ATOM 1307 CA LEU A 79 -4.588 1.105 -0.858 1.00 62.12 C ATOM 1308 C LEU A 79 -4.689 0.970 0.658 1.00 62.45 C ATOM 1309 O LEU A 79 -3.989 1.655 1.404 1.00 75.45 O ATOM 1310 CB LEU A 79 -5.594 2.146 -1.359 1.00 35.53 C ATOM 1311 CG LEU A 79 -5.529 2.451 -2.860 1.00 33.24 C ATOM 1312 CD1 LEU A 79 -6.612 3.447 -3.251 1.00 53.43 C ATOM 1313 CD2 LEU A 79 -4.154 2.982 -3.242 1.00 60.50 C ATOM 0 H LEU A 79 -5.697 -0.237 -2.024 1.00 41.12 H new ATOM 0 HA LEU A 79 -3.582 1.437 -1.116 1.00 62.12 H new ATOM 0 HB2 LEU A 79 -6.599 1.801 -1.118 1.00 35.53 H new ATOM 0 HB3 LEU A 79 -5.436 3.074 -0.809 1.00 35.53 H new ATOM 0 HG LEU A 79 -5.701 1.523 -3.404 1.00 33.24 H new ATOM 0 HD11 LEU A 79 -6.550 3.651 -4.320 1.00 53.43 H new ATOM 0 HD12 LEU A 79 -7.592 3.030 -3.018 1.00 53.43 H new ATOM 0 HD13 LEU A 79 -6.471 4.374 -2.696 1.00 53.43 H new ATOM 0 HD21 LEU A 79 -4.129 3.192 -4.311 1.00 60.50 H new ATOM 0 HD22 LEU A 79 -3.951 3.898 -2.687 1.00 60.50 H new ATOM 0 HD23 LEU A 79 -3.396 2.236 -3.001 1.00 60.50 H new ATOM 1325 N SER A 80 -5.563 0.076 1.107 1.00 1.22 N ATOM 1326 CA SER A 80 -5.736 -0.184 2.526 1.00 75.53 C ATOM 1327 C SER A 80 -4.452 -0.739 3.147 1.00 34.15 C ATOM 1328 O SER A 80 -4.159 -0.475 4.314 1.00 64.40 O ATOM 1329 CB SER A 80 -6.900 -1.151 2.759 1.00 62.21 C ATOM 1330 OG SER A 80 -7.224 -1.241 4.136 1.00 71.23 O ATOM 0 H SER A 80 -6.165 -0.483 0.502 1.00 1.22 H new ATOM 0 HA SER A 80 -5.966 0.764 3.013 1.00 75.53 H new ATOM 0 HB2 SER A 80 -7.773 -0.816 2.199 1.00 62.21 H new ATOM 0 HB3 SER A 80 -6.638 -2.138 2.379 1.00 62.21 H new ATOM 0 HG SER A 80 -7.971 -1.864 4.256 1.00 71.23 H new ATOM 1336 N THR A 81 -3.690 -1.512 2.384 1.00 74.31 N ATOM 1337 CA THR A 81 -2.402 -1.996 2.864 1.00 32.00 C ATOM 1338 C THR A 81 -1.354 -0.884 2.830 1.00 35.40 C ATOM 1339 O THR A 81 -0.412 -0.883 3.620 1.00 62.45 O ATOM 1340 CB THR A 81 -1.911 -3.217 2.059 1.00 42.04 C ATOM 1341 OG1 THR A 81 -2.514 -3.229 0.758 1.00 50.22 O ATOM 1342 CG2 THR A 81 -2.238 -4.507 2.792 1.00 61.43 C ATOM 0 H THR A 81 -3.937 -1.814 1.442 1.00 74.31 H new ATOM 0 HA THR A 81 -2.544 -2.313 3.897 1.00 32.00 H new ATOM 0 HB THR A 81 -0.829 -3.142 1.949 1.00 42.04 H new ATOM 0 HG1 THR A 81 -2.316 -2.387 0.298 1.00 50.22 H new ATOM 0 HG21 THR A 81 -1.884 -5.357 2.208 1.00 61.43 H new ATOM 0 HG22 THR A 81 -1.748 -4.506 3.766 1.00 61.43 H new ATOM 0 HG23 THR A 81 -3.317 -4.585 2.928 1.00 61.43 H new ATOM 1350 N ILE A 82 -1.542 0.071 1.924 1.00 22.02 N ATOM 1351 CA ILE A 82 -0.638 1.210 1.807 1.00 63.23 C ATOM 1352 C ILE A 82 -0.716 2.103 3.047 1.00 13.11 C ATOM 1353 O ILE A 82 0.309 2.477 3.616 1.00 64.43 O ATOM 1354 CB ILE A 82 -0.939 2.035 0.530 1.00 32.13 C ATOM 1355 CG1 ILE A 82 -0.640 1.197 -0.718 1.00 60.11 C ATOM 1356 CG2 ILE A 82 -0.138 3.332 0.511 1.00 34.50 C ATOM 1357 CD1 ILE A 82 -0.893 1.922 -2.023 1.00 73.11 C ATOM 0 H ILE A 82 -2.315 0.078 1.258 1.00 22.02 H new ATOM 0 HA ILE A 82 0.376 0.817 1.729 1.00 63.23 H new ATOM 0 HB ILE A 82 -1.997 2.299 0.533 1.00 32.13 H new ATOM 0 HG12 ILE A 82 0.402 0.878 -0.688 1.00 60.11 H new ATOM 0 HG13 ILE A 82 -1.250 0.294 -0.692 1.00 60.11 H new ATOM 0 HG21 ILE A 82 -0.370 3.890 -0.396 1.00 34.50 H new ATOM 0 HG22 ILE A 82 -0.398 3.933 1.382 1.00 34.50 H new ATOM 0 HG23 ILE A 82 0.927 3.102 0.533 1.00 34.50 H new ATOM 0 HD11 ILE A 82 -0.658 1.262 -2.858 1.00 73.11 H new ATOM 0 HD12 ILE A 82 -1.941 2.217 -2.078 1.00 73.11 H new ATOM 0 HD13 ILE A 82 -0.263 2.810 -2.074 1.00 73.11 H new ATOM 1369 N LYS A 83 -1.933 2.410 3.488 1.00 53.15 N ATOM 1370 CA LYS A 83 -2.126 3.243 4.667 1.00 44.22 C ATOM 1371 C LYS A 83 -1.473 2.622 5.889 1.00 12.14 C ATOM 1372 O LYS A 83 -1.042 3.338 6.777 1.00 30.01 O ATOM 1373 CB LYS A 83 -3.618 3.545 4.892 1.00 32.31 C ATOM 1374 CG LYS A 83 -4.499 2.352 5.227 1.00 74.54 C ATOM 1375 CD LYS A 83 -4.625 2.146 6.730 1.00 30.22 C ATOM 1376 CE LYS A 83 -5.845 1.308 7.080 1.00 12.53 C ATOM 1377 NZ LYS A 83 -5.763 -0.076 6.541 1.00 43.34 N ATOM 0 H LYS A 83 -2.797 2.095 3.047 1.00 53.15 H new ATOM 0 HA LYS A 83 -1.630 4.198 4.495 1.00 44.22 H new ATOM 0 HB2 LYS A 83 -3.703 4.272 5.700 1.00 32.31 H new ATOM 0 HB3 LYS A 83 -4.011 4.020 3.993 1.00 32.31 H new ATOM 0 HG2 LYS A 83 -5.489 2.499 4.796 1.00 74.54 H new ATOM 0 HG3 LYS A 83 -4.083 1.454 4.771 1.00 74.54 H new ATOM 0 HD2 LYS A 83 -3.727 1.657 7.107 1.00 30.22 H new ATOM 0 HD3 LYS A 83 -4.693 3.114 7.226 1.00 30.22 H new ATOM 0 HE2 LYS A 83 -5.953 1.266 8.164 1.00 12.53 H new ATOM 0 HE3 LYS A 83 -6.739 1.794 6.689 1.00 12.53 H new ATOM 0 HZ1 LYS A 83 -6.543 -0.234 5.871 1.00 43.34 H new ATOM 0 HZ2 LYS A 83 -4.854 -0.205 6.052 1.00 43.34 H new ATOM 0 HZ3 LYS A 83 -5.835 -0.758 7.323 1.00 43.34 H new ATOM 1391 N ILE A 84 -1.373 1.301 5.922 1.00 2.23 N ATOM 1392 CA ILE A 84 -0.719 0.624 7.034 1.00 62.20 C ATOM 1393 C ILE A 84 0.751 1.045 7.154 1.00 2.33 C ATOM 1394 O ILE A 84 1.184 1.484 8.220 1.00 44.31 O ATOM 1395 CB ILE A 84 -0.806 -0.915 6.894 1.00 1.13 C ATOM 1396 CG1 ILE A 84 -2.268 -1.375 6.908 1.00 44.22 C ATOM 1397 CG2 ILE A 84 -0.022 -1.604 8.003 1.00 33.42 C ATOM 1398 CD1 ILE A 84 -2.994 -1.067 8.201 1.00 62.31 C ATOM 0 H ILE A 84 -1.733 0.680 5.198 1.00 2.23 H new ATOM 0 HA ILE A 84 -1.248 0.922 7.939 1.00 62.20 H new ATOM 0 HB ILE A 84 -0.364 -1.194 5.938 1.00 1.13 H new ATOM 0 HG12 ILE A 84 -2.797 -0.898 6.083 1.00 44.22 H new ATOM 0 HG13 ILE A 84 -2.303 -2.450 6.730 1.00 44.22 H new ATOM 0 HG21 ILE A 84 -0.097 -2.685 7.884 1.00 33.42 H new ATOM 0 HG22 ILE A 84 1.025 -1.305 7.948 1.00 33.42 H new ATOM 0 HG23 ILE A 84 -0.432 -1.316 8.971 1.00 33.42 H new ATOM 0 HD11 ILE A 84 -4.022 -1.422 8.134 1.00 62.31 H new ATOM 0 HD12 ILE A 84 -2.490 -1.566 9.029 1.00 62.31 H new ATOM 0 HD13 ILE A 84 -2.993 0.010 8.372 1.00 62.31 H new ATOM 1410 N TYR A 85 1.514 0.940 6.064 1.00 43.33 N ATOM 1411 CA TYR A 85 2.935 1.241 6.124 1.00 1.44 C ATOM 1412 C TYR A 85 3.158 2.750 6.230 1.00 63.42 C ATOM 1413 O TYR A 85 4.102 3.202 6.878 1.00 73.40 O ATOM 1414 CB TYR A 85 3.679 0.633 4.917 1.00 52.24 C ATOM 1415 CG TYR A 85 3.737 1.494 3.667 1.00 22.51 C ATOM 1416 CD1 TYR A 85 4.688 2.502 3.537 1.00 74.14 C ATOM 1417 CD2 TYR A 85 2.853 1.293 2.616 1.00 12.35 C ATOM 1418 CE1 TYR A 85 4.750 3.287 2.403 1.00 42.30 C ATOM 1419 CE2 TYR A 85 2.911 2.076 1.477 1.00 73.00 C ATOM 1420 CZ TYR A 85 3.859 3.070 1.377 1.00 54.24 C ATOM 1421 OH TYR A 85 3.910 3.854 0.249 1.00 74.23 O ATOM 0 H TYR A 85 1.174 0.653 5.146 1.00 43.33 H new ATOM 0 HA TYR A 85 3.351 0.782 7.021 1.00 1.44 H new ATOM 0 HB2 TYR A 85 4.700 0.403 5.223 1.00 52.24 H new ATOM 0 HB3 TYR A 85 3.202 -0.313 4.661 1.00 52.24 H new ATOM 0 HD1 TYR A 85 5.391 2.673 4.339 1.00 74.14 H new ATOM 0 HD2 TYR A 85 2.109 0.514 2.688 1.00 12.35 H new ATOM 0 HE1 TYR A 85 5.493 4.066 2.322 1.00 42.30 H new ATOM 0 HE2 TYR A 85 2.215 1.908 0.669 1.00 73.00 H new ATOM 0 HH TYR A 85 3.213 3.569 -0.379 1.00 74.23 H new ATOM 1431 N VAL A 86 2.276 3.524 5.608 1.00 22.22 N ATOM 1432 CA VAL A 86 2.332 4.976 5.716 1.00 43.43 C ATOM 1433 C VAL A 86 2.081 5.393 7.159 1.00 2.25 C ATOM 1434 O VAL A 86 2.840 6.170 7.734 1.00 61.42 O ATOM 1435 CB VAL A 86 1.297 5.655 4.788 1.00 3.24 C ATOM 1436 CG1 VAL A 86 1.261 7.160 5.019 1.00 63.22 C ATOM 1437 CG2 VAL A 86 1.605 5.355 3.328 1.00 31.11 C ATOM 0 H VAL A 86 1.516 3.171 5.026 1.00 22.22 H new ATOM 0 HA VAL A 86 3.325 5.299 5.404 1.00 43.43 H new ATOM 0 HB VAL A 86 0.315 5.247 5.029 1.00 3.24 H new ATOM 0 HG11 VAL A 86 0.525 7.613 4.354 1.00 63.22 H new ATOM 0 HG12 VAL A 86 0.988 7.363 6.054 1.00 63.22 H new ATOM 0 HG13 VAL A 86 2.244 7.583 4.814 1.00 63.22 H new ATOM 0 HG21 VAL A 86 0.865 5.842 2.693 1.00 31.11 H new ATOM 0 HG22 VAL A 86 2.598 5.730 3.081 1.00 31.11 H new ATOM 0 HG23 VAL A 86 1.572 4.278 3.163 1.00 31.11 H new ATOM 1447 N SER A 87 1.025 4.841 7.739 1.00 34.35 N ATOM 1448 CA SER A 87 0.683 5.078 9.131 1.00 75.21 C ATOM 1449 C SER A 87 1.833 4.671 10.061 1.00 22.14 C ATOM 1450 O SER A 87 2.120 5.357 11.044 1.00 73.13 O ATOM 1451 CB SER A 87 -0.595 4.306 9.470 1.00 74.31 C ATOM 1452 OG SER A 87 -1.753 5.095 9.239 1.00 71.40 O ATOM 0 H SER A 87 0.381 4.215 7.255 1.00 34.35 H new ATOM 0 HA SER A 87 0.511 6.144 9.280 1.00 75.21 H new ATOM 0 HB2 SER A 87 -0.645 3.399 8.868 1.00 74.31 H new ATOM 0 HB3 SER A 87 -0.568 3.994 10.514 1.00 74.31 H new ATOM 0 HG SER A 87 -2.553 4.575 9.463 1.00 71.40 H new ATOM 1458 N ALA A 88 2.502 3.569 9.731 1.00 3.33 N ATOM 1459 CA ALA A 88 3.652 3.110 10.503 1.00 42.12 C ATOM 1460 C ALA A 88 4.813 4.100 10.407 1.00 43.21 C ATOM 1461 O ALA A 88 5.571 4.284 11.360 1.00 11.54 O ATOM 1462 CB ALA A 88 4.090 1.730 10.033 1.00 63.21 C ATOM 0 H ALA A 88 2.267 2.978 8.934 1.00 3.33 H new ATOM 0 HA ALA A 88 3.351 3.045 11.549 1.00 42.12 H new ATOM 0 HB1 ALA A 88 4.949 1.402 10.619 1.00 63.21 H new ATOM 0 HB2 ALA A 88 3.270 1.024 10.164 1.00 63.21 H new ATOM 0 HB3 ALA A 88 4.365 1.775 8.979 1.00 63.21 H new ATOM 1468 N ALA A 89 4.944 4.741 9.256 1.00 13.22 N ATOM 1469 CA ALA A 89 5.977 5.747 9.056 1.00 31.21 C ATOM 1470 C ALA A 89 5.614 7.042 9.756 1.00 24.33 C ATOM 1471 O ALA A 89 6.491 7.797 10.171 1.00 24.11 O ATOM 1472 CB ALA A 89 6.210 5.986 7.573 1.00 51.30 C ATOM 0 H ALA A 89 4.347 4.582 8.444 1.00 13.22 H new ATOM 0 HA ALA A 89 6.903 5.374 9.494 1.00 31.21 H new ATOM 0 HB1 ALA A 89 6.985 6.741 7.444 1.00 51.30 H new ATOM 0 HB2 ALA A 89 6.526 5.056 7.100 1.00 51.30 H new ATOM 0 HB3 ALA A 89 5.286 6.332 7.111 1.00 51.30 H new ATOM 1478 N ILE A 90 4.325 7.290 9.904 1.00 61.42 N ATOM 1479 CA ILE A 90 3.867 8.507 10.546 1.00 72.41 C ATOM 1480 C ILE A 90 4.169 8.485 12.042 1.00 71.04 C ATOM 1481 O ILE A 90 4.615 9.488 12.599 1.00 44.54 O ATOM 1482 CB ILE A 90 2.357 8.755 10.312 1.00 65.32 C ATOM 1483 CG1 ILE A 90 2.082 8.949 8.816 1.00 41.55 C ATOM 1484 CG2 ILE A 90 1.876 9.967 11.107 1.00 34.33 C ATOM 1485 CD1 ILE A 90 0.620 9.150 8.481 1.00 40.42 C ATOM 0 H ILE A 90 3.581 6.668 9.590 1.00 61.42 H new ATOM 0 HA ILE A 90 4.415 9.330 10.088 1.00 72.41 H new ATOM 0 HB ILE A 90 1.805 7.883 10.661 1.00 65.32 H new ATOM 0 HG12 ILE A 90 2.647 9.811 8.462 1.00 41.55 H new ATOM 0 HG13 ILE A 90 2.453 8.080 8.273 1.00 41.55 H new ATOM 0 HG21 ILE A 90 0.812 10.122 10.927 1.00 34.33 H new ATOM 0 HG22 ILE A 90 2.042 9.794 12.170 1.00 34.33 H new ATOM 0 HG23 ILE A 90 2.430 10.852 10.792 1.00 34.33 H new ATOM 0 HD11 ILE A 90 0.508 9.280 7.405 1.00 40.42 H new ATOM 0 HD12 ILE A 90 0.050 8.278 8.803 1.00 40.42 H new ATOM 0 HD13 ILE A 90 0.248 10.037 8.994 1.00 40.42 H new ATOM 1497 N LYS A 91 3.957 7.338 12.689 1.00 5.31 N ATOM 1498 CA LYS A 91 4.205 7.231 14.127 1.00 25.55 C ATOM 1499 C LYS A 91 5.694 7.391 14.442 1.00 72.43 C ATOM 1500 O LYS A 91 6.062 7.962 15.468 1.00 41.33 O ATOM 1501 CB LYS A 91 3.689 5.897 14.692 1.00 70.40 C ATOM 1502 CG LYS A 91 4.359 4.669 14.099 1.00 60.13 C ATOM 1503 CD LYS A 91 4.123 3.425 14.942 1.00 12.00 C ATOM 1504 CE LYS A 91 2.651 3.058 15.029 1.00 41.33 C ATOM 1505 NZ LYS A 91 2.433 1.850 15.870 1.00 41.24 N ATOM 0 H LYS A 91 3.619 6.482 12.248 1.00 5.31 H new ATOM 0 HA LYS A 91 3.656 8.041 14.608 1.00 25.55 H new ATOM 0 HB2 LYS A 91 3.836 5.891 15.772 1.00 70.40 H new ATOM 0 HB3 LYS A 91 2.615 5.832 14.516 1.00 70.40 H new ATOM 0 HG2 LYS A 91 3.980 4.501 13.091 1.00 60.13 H new ATOM 0 HG3 LYS A 91 5.430 4.848 14.010 1.00 60.13 H new ATOM 0 HD2 LYS A 91 4.679 2.590 14.516 1.00 12.00 H new ATOM 0 HD3 LYS A 91 4.514 3.590 15.946 1.00 12.00 H new ATOM 0 HE2 LYS A 91 2.091 3.896 15.444 1.00 41.33 H new ATOM 0 HE3 LYS A 91 2.261 2.879 14.027 1.00 41.33 H new ATOM 0 HZ1 LYS A 91 1.417 1.631 15.906 1.00 41.24 H new ATOM 0 HZ2 LYS A 91 2.947 1.044 15.460 1.00 41.24 H new ATOM 0 HZ3 LYS A 91 2.782 2.030 16.833 1.00 41.24 H new ATOM 1519 N LYS A 92 6.551 6.906 13.549 1.00 12.05 N ATOM 1520 CA LYS A 92 7.991 6.974 13.769 1.00 13.11 C ATOM 1521 C LYS A 92 8.567 8.271 13.210 1.00 1.34 C ATOM 1522 O LYS A 92 9.765 8.533 13.313 1.00 62.41 O ATOM 1523 CB LYS A 92 8.684 5.756 13.155 1.00 35.12 C ATOM 1524 CG LYS A 92 8.133 4.444 13.683 1.00 14.24 C ATOM 1525 CD LYS A 92 9.038 3.269 13.360 1.00 13.35 C ATOM 1526 CE LYS A 92 8.442 1.973 13.881 1.00 74.03 C ATOM 1527 NZ LYS A 92 9.415 0.851 13.856 1.00 3.12 N ATOM 0 H LYS A 92 6.276 6.464 12.672 1.00 12.05 H new ATOM 0 HA LYS A 92 8.174 6.965 14.843 1.00 13.11 H new ATOM 0 HB2 LYS A 92 8.569 5.785 12.072 1.00 35.12 H new ATOM 0 HB3 LYS A 92 9.753 5.807 13.363 1.00 35.12 H new ATOM 0 HG2 LYS A 92 8.004 4.515 14.763 1.00 14.24 H new ATOM 0 HG3 LYS A 92 7.146 4.268 13.255 1.00 14.24 H new ATOM 0 HD2 LYS A 92 9.183 3.201 12.282 1.00 13.35 H new ATOM 0 HD3 LYS A 92 10.021 3.428 13.804 1.00 13.35 H new ATOM 0 HE2 LYS A 92 8.091 2.123 14.902 1.00 74.03 H new ATOM 0 HE3 LYS A 92 7.572 1.709 13.280 1.00 74.03 H new ATOM 0 HZ1 LYS A 92 8.961 -0.011 14.221 1.00 3.12 H new ATOM 0 HZ2 LYS A 92 9.732 0.688 12.879 1.00 3.12 H new ATOM 0 HZ3 LYS A 92 10.234 1.089 14.451 1.00 3.12 H new ATOM 1541 N GLY A 93 7.700 9.080 12.618 1.00 13.22 N ATOM 1542 CA GLY A 93 8.090 10.407 12.185 1.00 45.32 C ATOM 1543 C GLY A 93 8.838 10.428 10.868 1.00 71.23 C ATOM 1544 O GLY A 93 9.505 11.412 10.548 1.00 5.44 O ATOM 0 H GLY A 93 6.727 8.839 12.429 1.00 13.22 H new ATOM 0 HA2 GLY A 93 7.197 11.026 12.094 1.00 45.32 H new ATOM 0 HA3 GLY A 93 8.715 10.860 12.954 1.00 45.32 H new ATOM 1548 N TYR A 94 8.734 9.351 10.106 1.00 31.23 N ATOM 1549 CA TYR A 94 9.333 9.307 8.778 1.00 41.33 C ATOM 1550 C TYR A 94 8.380 9.971 7.793 1.00 12.44 C ATOM 1551 O TYR A 94 8.791 10.550 6.785 1.00 51.50 O ATOM 1552 CB TYR A 94 9.630 7.863 8.360 1.00 72.32 C ATOM 1553 CG TYR A 94 10.607 7.762 7.209 1.00 63.30 C ATOM 1554 CD1 TYR A 94 11.975 7.819 7.435 1.00 31.01 C ATOM 1555 CD2 TYR A 94 10.166 7.617 5.900 1.00 71.24 C ATOM 1556 CE1 TYR A 94 12.877 7.733 6.393 1.00 40.12 C ATOM 1557 CE2 TYR A 94 11.062 7.529 4.850 1.00 72.11 C ATOM 1558 CZ TYR A 94 12.416 7.589 5.104 1.00 15.44 C ATOM 1559 OH TYR A 94 13.317 7.501 4.065 1.00 11.24 O ATOM 0 H TYR A 94 8.244 8.499 10.380 1.00 31.23 H new ATOM 0 HA TYR A 94 10.282 9.843 8.787 1.00 41.33 H new ATOM 0 HB2 TYR A 94 10.030 7.319 9.216 1.00 72.32 H new ATOM 0 HB3 TYR A 94 8.697 7.374 8.080 1.00 72.32 H new ATOM 0 HD1 TYR A 94 12.341 7.933 8.445 1.00 31.01 H new ATOM 0 HD2 TYR A 94 9.106 7.572 5.699 1.00 71.24 H new ATOM 0 HE1 TYR A 94 13.938 7.778 6.588 1.00 40.12 H new ATOM 0 HE2 TYR A 94 10.703 7.414 3.838 1.00 72.11 H new ATOM 0 HH TYR A 94 12.832 7.401 3.219 1.00 11.24 H new ATOM 1569 N MET A 95 7.095 9.876 8.111 1.00 43.41 N ATOM 1570 CA MET A 95 6.062 10.590 7.384 1.00 3.35 C ATOM 1571 C MET A 95 5.495 11.662 8.308 1.00 72.11 C ATOM 1572 O MET A 95 5.055 11.364 9.421 1.00 50.45 O ATOM 1573 CB MET A 95 4.962 9.628 6.928 1.00 24.53 C ATOM 1574 CG MET A 95 4.346 9.986 5.582 1.00 11.54 C ATOM 1575 SD MET A 95 3.793 11.698 5.486 1.00 42.52 S ATOM 1576 CE MET A 95 3.013 11.707 3.873 1.00 63.12 C ATOM 0 H MET A 95 6.744 9.303 8.878 1.00 43.41 H new ATOM 0 HA MET A 95 6.480 11.051 6.489 1.00 3.35 H new ATOM 0 HB2 MET A 95 5.375 8.621 6.871 1.00 24.53 H new ATOM 0 HB3 MET A 95 4.175 9.608 7.682 1.00 24.53 H new ATOM 0 HG2 MET A 95 5.077 9.803 4.795 1.00 11.54 H new ATOM 0 HG3 MET A 95 3.500 9.326 5.390 1.00 11.54 H new ATOM 0 HE1 MET A 95 3.082 12.705 3.441 1.00 63.12 H new ATOM 0 HE2 MET A 95 3.518 10.994 3.221 1.00 63.12 H new ATOM 0 HE3 MET A 95 1.964 11.427 3.974 1.00 63.12 H new ATOM 1586 N GLU A 96 5.523 12.903 7.855 1.00 31.23 N ATOM 1587 CA GLU A 96 5.243 14.037 8.722 1.00 30.23 C ATOM 1588 C GLU A 96 3.758 14.298 8.914 1.00 52.12 C ATOM 1589 O GLU A 96 3.330 14.665 10.007 1.00 24.34 O ATOM 1590 CB GLU A 96 5.909 15.291 8.171 1.00 4.15 C ATOM 1591 CG GLU A 96 7.425 15.236 8.241 1.00 74.31 C ATOM 1592 CD GLU A 96 8.078 16.541 7.855 1.00 13.24 C ATOM 1593 OE1 GLU A 96 8.324 16.757 6.651 1.00 54.45 O ATOM 1594 OE2 GLU A 96 8.354 17.357 8.757 1.00 2.02 O ATOM 0 H GLU A 96 5.737 13.153 6.890 1.00 31.23 H new ATOM 0 HA GLU A 96 5.652 13.783 9.700 1.00 30.23 H new ATOM 0 HB2 GLU A 96 5.603 15.433 7.134 1.00 4.15 H new ATOM 0 HB3 GLU A 96 5.556 16.158 8.729 1.00 4.15 H new ATOM 0 HG2 GLU A 96 7.728 14.970 9.254 1.00 74.31 H new ATOM 0 HG3 GLU A 96 7.786 14.446 7.582 1.00 74.31 H new ATOM 1601 N ASN A 97 2.971 14.109 7.874 1.00 64.13 N ATOM 1602 CA ASN A 97 1.579 14.526 7.918 1.00 30.21 C ATOM 1603 C ASN A 97 0.675 13.495 7.263 1.00 74.23 C ATOM 1604 O ASN A 97 1.074 12.816 6.321 1.00 61.15 O ATOM 1605 CB ASN A 97 1.426 15.888 7.237 1.00 21.51 C ATOM 1606 CG ASN A 97 0.045 16.482 7.412 1.00 3.23 C ATOM 1607 OD1 ASN A 97 -0.645 16.220 8.402 1.00 32.22 O ATOM 1608 ND2 ASN A 97 -0.358 17.307 6.464 1.00 1.32 N ATOM 0 H ASN A 97 3.263 13.676 6.998 1.00 64.13 H new ATOM 0 HA ASN A 97 1.277 14.613 8.962 1.00 30.21 H new ATOM 0 HB2 ASN A 97 2.167 16.577 7.643 1.00 21.51 H new ATOM 0 HB3 ASN A 97 1.639 15.783 6.173 1.00 21.51 H new ATOM 0 HD21 ASN A 97 -1.271 17.756 6.533 1.00 1.32 H new ATOM 0 HD22 ASN A 97 0.244 17.496 5.662 1.00 1.32 H new ATOM 1615 N ASP A 98 -0.537 13.378 7.776 1.00 70.53 N ATOM 1616 CA ASP A 98 -1.488 12.402 7.262 1.00 2.12 C ATOM 1617 C ASP A 98 -2.106 12.869 5.956 1.00 35.32 C ATOM 1618 O ASP A 98 -2.454 14.041 5.804 1.00 55.23 O ATOM 1619 CB ASP A 98 -2.611 12.171 8.277 1.00 31.54 C ATOM 1620 CG ASP A 98 -2.844 10.708 8.583 1.00 40.04 C ATOM 1621 OD1 ASP A 98 -3.426 10.006 7.728 1.00 1.20 O ATOM 1622 OD2 ASP A 98 -2.466 10.257 9.686 1.00 41.50 O ATOM 0 H ASP A 98 -0.888 13.945 8.548 1.00 70.53 H new ATOM 0 HA ASP A 98 -0.942 11.475 7.087 1.00 2.12 H new ATOM 0 HB2 ASP A 98 -2.370 12.695 9.202 1.00 31.54 H new ATOM 0 HB3 ASP A 98 -3.534 12.607 7.894 1.00 31.54 H new ATOM 1627 N PRO A 99 -2.270 11.947 5.004 1.00 62.13 N ATOM 1628 CA PRO A 99 -3.023 12.187 3.791 1.00 0.11 C ATOM 1629 C PRO A 99 -4.464 11.690 3.907 1.00 0.22 C ATOM 1630 O PRO A 99 -5.367 12.183 3.228 1.00 41.55 O ATOM 1631 CB PRO A 99 -2.252 11.373 2.751 1.00 72.12 C ATOM 1632 CG PRO A 99 -1.522 10.303 3.516 1.00 54.02 C ATOM 1633 CD PRO A 99 -1.651 10.616 4.990 1.00 41.01 C ATOM 0 HA PRO A 99 -3.108 13.246 3.549 1.00 0.11 H new ATOM 0 HB2 PRO A 99 -2.930 10.935 2.019 1.00 72.12 H new ATOM 0 HB3 PRO A 99 -1.554 12.004 2.201 1.00 72.12 H new ATOM 0 HG2 PRO A 99 -1.943 9.322 3.296 1.00 54.02 H new ATOM 0 HG3 PRO A 99 -0.473 10.273 3.223 1.00 54.02 H new ATOM 0 HD2 PRO A 99 -2.269 9.880 5.504 1.00 41.01 H new ATOM 0 HD3 PRO A 99 -0.681 10.619 5.486 1.00 41.01 H new ATOM 1641 N PHE A 100 -4.679 10.729 4.801 1.00 74.33 N ATOM 1642 CA PHE A 100 -5.977 10.088 4.941 1.00 24.04 C ATOM 1643 C PHE A 100 -6.885 10.899 5.849 1.00 13.04 C ATOM 1644 O PHE A 100 -8.100 10.705 5.860 1.00 71.41 O ATOM 1645 CB PHE A 100 -5.812 8.658 5.463 1.00 30.41 C ATOM 1646 CG PHE A 100 -5.086 7.763 4.495 1.00 24.43 C ATOM 1647 CD1 PHE A 100 -5.775 7.126 3.477 1.00 73.13 C ATOM 1648 CD2 PHE A 100 -3.716 7.577 4.589 1.00 53.41 C ATOM 1649 CE1 PHE A 100 -5.114 6.317 2.572 1.00 14.33 C ATOM 1650 CE2 PHE A 100 -3.048 6.771 3.686 1.00 64.41 C ATOM 1651 CZ PHE A 100 -3.748 6.141 2.676 1.00 32.52 C ATOM 0 H PHE A 100 -3.966 10.378 5.440 1.00 74.33 H new ATOM 0 HA PHE A 100 -6.446 10.040 3.958 1.00 24.04 H new ATOM 0 HB2 PHE A 100 -5.268 8.681 6.407 1.00 30.41 H new ATOM 0 HB3 PHE A 100 -6.795 8.237 5.672 1.00 30.41 H new ATOM 0 HD1 PHE A 100 -6.843 7.263 3.389 1.00 73.13 H new ATOM 0 HD2 PHE A 100 -3.164 8.067 5.377 1.00 53.41 H new ATOM 0 HE1 PHE A 100 -5.665 5.823 1.785 1.00 14.33 H new ATOM 0 HE2 PHE A 100 -1.980 6.634 3.770 1.00 64.41 H new ATOM 0 HZ PHE A 100 -3.228 5.512 1.969 1.00 32.52 H new ATOM 1661 N LYS A 101 -6.294 11.825 6.588 1.00 41.34 N ATOM 1662 CA LYS A 101 -7.053 12.736 7.414 1.00 20.23 C ATOM 1663 C LYS A 101 -7.912 13.633 6.521 1.00 71.42 C ATOM 1664 O LYS A 101 -9.064 13.929 6.837 1.00 23.23 O ATOM 1665 CB LYS A 101 -6.085 13.544 8.290 1.00 52.21 C ATOM 1666 CG LYS A 101 -6.745 14.604 9.150 1.00 54.21 C ATOM 1667 CD LYS A 101 -6.797 15.943 8.437 1.00 33.34 C ATOM 1668 CE LYS A 101 -5.416 16.571 8.316 1.00 32.21 C ATOM 1669 NZ LYS A 101 -5.465 17.900 7.653 1.00 71.50 N ATOM 0 H LYS A 101 -5.284 11.962 6.629 1.00 41.34 H new ATOM 0 HA LYS A 101 -7.725 12.190 8.076 1.00 20.23 H new ATOM 0 HB2 LYS A 101 -5.542 12.856 8.938 1.00 52.21 H new ATOM 0 HB3 LYS A 101 -5.348 14.024 7.646 1.00 52.21 H new ATOM 0 HG2 LYS A 101 -7.756 14.288 9.408 1.00 54.21 H new ATOM 0 HG3 LYS A 101 -6.196 14.709 10.086 1.00 54.21 H new ATOM 0 HD2 LYS A 101 -7.224 15.810 7.443 1.00 33.34 H new ATOM 0 HD3 LYS A 101 -7.458 16.619 8.980 1.00 33.34 H new ATOM 0 HE2 LYS A 101 -4.978 16.677 9.308 1.00 32.21 H new ATOM 0 HE3 LYS A 101 -4.764 15.907 7.749 1.00 32.21 H new ATOM 0 HZ1 LYS A 101 -4.611 18.441 7.897 1.00 71.50 H new ATOM 0 HZ2 LYS A 101 -5.511 17.772 6.622 1.00 71.50 H new ATOM 0 HZ3 LYS A 101 -6.307 18.418 7.975 1.00 71.50 H new ATOM 1683 N ASP A 102 -7.345 14.035 5.387 1.00 52.30 N ATOM 1684 CA ASP A 102 -8.075 14.817 4.398 1.00 42.42 C ATOM 1685 C ASP A 102 -8.829 13.908 3.450 1.00 42.33 C ATOM 1686 O ASP A 102 -9.875 14.277 2.914 1.00 51.33 O ATOM 1687 CB ASP A 102 -7.124 15.715 3.609 1.00 53.33 C ATOM 1688 CG ASP A 102 -6.907 17.057 4.273 1.00 65.00 C ATOM 1689 OD1 ASP A 102 -6.166 17.119 5.269 1.00 74.34 O ATOM 1690 OD2 ASP A 102 -7.478 18.058 3.794 1.00 45.43 O ATOM 0 H ASP A 102 -6.379 13.830 5.131 1.00 52.30 H new ATOM 0 HA ASP A 102 -8.791 15.445 4.928 1.00 42.42 H new ATOM 0 HB2 ASP A 102 -6.164 15.211 3.495 1.00 53.33 H new ATOM 0 HB3 ASP A 102 -7.524 15.870 2.607 1.00 53.33 H new ATOM 1695 N PHE A 103 -8.290 12.714 3.254 1.00 75.20 N ATOM 1696 CA PHE A 103 -8.921 11.704 2.410 1.00 34.12 C ATOM 1697 C PHE A 103 -10.283 11.327 2.983 1.00 20.23 C ATOM 1698 O PHE A 103 -11.226 11.045 2.244 1.00 75.32 O ATOM 1699 CB PHE A 103 -8.022 10.467 2.301 1.00 53.05 C ATOM 1700 CG PHE A 103 -8.522 9.418 1.347 1.00 23.42 C ATOM 1701 CD1 PHE A 103 -8.482 9.632 -0.021 1.00 62.13 C ATOM 1702 CD2 PHE A 103 -9.019 8.214 1.820 1.00 12.31 C ATOM 1703 CE1 PHE A 103 -8.931 8.666 -0.901 1.00 14.55 C ATOM 1704 CE2 PHE A 103 -9.471 7.244 0.944 1.00 54.50 C ATOM 1705 CZ PHE A 103 -9.426 7.470 -0.419 1.00 62.02 C ATOM 0 H PHE A 103 -7.408 12.417 3.672 1.00 75.20 H new ATOM 0 HA PHE A 103 -9.063 12.114 1.410 1.00 34.12 H new ATOM 0 HB2 PHE A 103 -7.027 10.782 1.986 1.00 53.05 H new ATOM 0 HB3 PHE A 103 -7.917 10.021 3.290 1.00 53.05 H new ATOM 0 HD1 PHE A 103 -8.095 10.565 -0.404 1.00 62.13 H new ATOM 0 HD2 PHE A 103 -9.054 8.031 2.884 1.00 12.31 H new ATOM 0 HE1 PHE A 103 -8.895 8.846 -1.965 1.00 14.55 H new ATOM 0 HE2 PHE A 103 -9.859 6.311 1.325 1.00 54.50 H new ATOM 0 HZ PHE A 103 -9.777 6.713 -1.105 1.00 62.02 H new ATOM 1715 N GLY A 104 -10.371 11.312 4.308 1.00 44.12 N ATOM 1716 CA GLY A 104 -11.651 11.151 4.960 1.00 4.02 C ATOM 1717 C GLY A 104 -12.487 12.408 4.841 1.00 2.14 C ATOM 1718 O GLY A 104 -13.486 12.427 4.120 1.00 20.35 O ATOM 0 H GLY A 104 -9.576 11.409 4.940 1.00 44.12 H new ATOM 0 HA2 GLY A 104 -12.186 10.312 4.515 1.00 4.02 H new ATOM 0 HA3 GLY A 104 -11.499 10.910 6.012 1.00 4.02 H new ATOM 1722 N LEU A 105 -12.065 13.459 5.543 1.00 35.34 N ATOM 1723 CA LEU A 105 -12.722 14.762 5.487 1.00 5.43 C ATOM 1724 C LEU A 105 -12.022 15.729 6.434 1.00 4.44 C ATOM 1725 O LEU A 105 -11.571 15.329 7.508 1.00 73.14 O ATOM 1726 CB LEU A 105 -14.207 14.655 5.871 1.00 65.41 C ATOM 1727 CG LEU A 105 -15.004 15.956 5.749 1.00 10.31 C ATOM 1728 CD1 LEU A 105 -15.041 16.431 4.305 1.00 2.41 C ATOM 1729 CD2 LEU A 105 -16.412 15.765 6.289 1.00 65.34 C ATOM 0 H LEU A 105 -11.258 13.430 6.166 1.00 35.34 H new ATOM 0 HA LEU A 105 -12.658 15.130 4.463 1.00 5.43 H new ATOM 0 HB2 LEU A 105 -14.676 13.899 5.241 1.00 65.41 H new ATOM 0 HB3 LEU A 105 -14.276 14.300 6.899 1.00 65.41 H new ATOM 0 HG LEU A 105 -14.507 16.722 6.344 1.00 10.31 H new ATOM 0 HD11 LEU A 105 -15.612 17.357 4.241 1.00 2.41 H new ATOM 0 HD12 LEU A 105 -14.024 16.607 3.954 1.00 2.41 H new ATOM 0 HD13 LEU A 105 -15.513 15.670 3.684 1.00 2.41 H new ATOM 0 HD21 LEU A 105 -16.967 16.698 6.196 1.00 65.34 H new ATOM 0 HD22 LEU A 105 -16.917 14.984 5.720 1.00 65.34 H new ATOM 0 HD23 LEU A 105 -16.363 15.475 7.339 1.00 65.34 H new ATOM 1741 N GLU A 106 -11.921 16.990 6.030 1.00 50.32 N ATOM 1742 CA GLU A 106 -11.338 18.021 6.879 1.00 71.25 C ATOM 1743 C GLU A 106 -12.360 18.427 7.939 1.00 24.34 C ATOM 1744 O GLU A 106 -13.191 19.311 7.714 1.00 74.55 O ATOM 1745 CB GLU A 106 -10.916 19.227 6.029 1.00 33.53 C ATOM 1746 CG GLU A 106 -9.725 20.008 6.578 1.00 15.13 C ATOM 1747 CD GLU A 106 -10.022 20.750 7.867 1.00 34.44 C ATOM 1748 OE1 GLU A 106 -10.530 21.890 7.798 1.00 4.31 O ATOM 1749 OE2 GLU A 106 -9.714 20.212 8.949 1.00 15.22 O ATOM 0 H GLU A 106 -12.236 17.323 5.119 1.00 50.32 H new ATOM 0 HA GLU A 106 -10.448 17.635 7.375 1.00 71.25 H new ATOM 0 HB2 GLU A 106 -10.674 18.880 5.025 1.00 33.53 H new ATOM 0 HB3 GLU A 106 -11.765 19.904 5.936 1.00 33.53 H new ATOM 0 HG2 GLU A 106 -8.898 19.319 6.749 1.00 15.13 H new ATOM 0 HG3 GLU A 106 -9.394 20.724 5.826 1.00 15.13 H new ATOM 1756 N HIS A 107 -12.319 17.745 9.076 1.00 75.15 N ATOM 1757 CA HIS A 107 -13.294 17.959 10.134 1.00 22.24 C ATOM 1758 C HIS A 107 -12.891 19.146 10.999 1.00 74.23 C ATOM 1759 O HIS A 107 -11.865 19.114 11.680 1.00 15.41 O ATOM 1760 CB HIS A 107 -13.440 16.694 10.990 1.00 63.11 C ATOM 1761 CG HIS A 107 -14.455 16.813 12.087 1.00 32.11 C ATOM 1762 ND1 HIS A 107 -14.161 16.574 13.411 1.00 61.45 N ATOM 1763 CD2 HIS A 107 -15.767 17.142 12.052 1.00 40.24 C ATOM 1764 CE1 HIS A 107 -15.245 16.752 14.140 1.00 74.15 C ATOM 1765 NE2 HIS A 107 -16.237 17.100 13.343 1.00 13.44 N ATOM 0 H HIS A 107 -11.617 17.036 9.288 1.00 75.15 H new ATOM 0 HA HIS A 107 -14.258 18.180 9.676 1.00 22.24 H new ATOM 0 HB2 HIS A 107 -13.715 15.860 10.344 1.00 63.11 H new ATOM 0 HB3 HIS A 107 -12.472 16.451 11.429 1.00 63.11 H new ATOM 0 HD2 HIS A 107 -16.340 17.392 11.171 1.00 40.24 H new ATOM 0 HE1 HIS A 107 -15.310 16.633 15.211 1.00 74.15 H new ATOM 0 HE2 HIS A 107 -17.193 17.304 13.636 1.00 13.44 H new ATOM 1774 N HIS A 108 -13.713 20.187 10.962 1.00 75.50 N ATOM 1775 CA HIS A 108 -13.462 21.399 11.729 1.00 4.40 C ATOM 1776 C HIS A 108 -13.736 21.181 13.210 1.00 21.14 C ATOM 1777 O HIS A 108 -14.770 21.600 13.739 1.00 12.54 O ATOM 1778 CB HIS A 108 -14.305 22.566 11.213 1.00 54.04 C ATOM 1779 CG HIS A 108 -13.824 23.131 9.913 1.00 4.25 C ATOM 1780 ND1 HIS A 108 -13.271 24.386 9.805 1.00 11.01 N ATOM 1781 CD2 HIS A 108 -13.823 22.611 8.664 1.00 1.44 C ATOM 1782 CE1 HIS A 108 -12.950 24.615 8.546 1.00 72.44 C ATOM 1783 NE2 HIS A 108 -13.272 23.554 7.830 1.00 24.41 N ATOM 0 H HIS A 108 -14.566 20.215 10.404 1.00 75.50 H new ATOM 0 HA HIS A 108 -12.408 21.647 11.602 1.00 4.40 H new ATOM 0 HB2 HIS A 108 -15.336 22.233 11.094 1.00 54.04 H new ATOM 0 HB3 HIS A 108 -14.310 23.357 11.963 1.00 54.04 H new ATOM 0 HD2 HIS A 108 -14.187 21.636 8.376 1.00 1.44 H new ATOM 0 HE1 HIS A 108 -12.499 25.519 8.165 1.00 72.44 H new ATOM 0 HE2 HIS A 108 -13.135 23.451 6.825 1.00 24.41 H new ATOM 1792 N HIS A 109 -12.821 20.483 13.860 1.00 73.53 N ATOM 1793 CA HIS A 109 -12.864 20.312 15.301 1.00 61.55 C ATOM 1794 C HIS A 109 -12.256 21.538 15.964 1.00 4.50 C ATOM 1795 O HIS A 109 -11.042 21.737 15.901 1.00 43.53 O ATOM 1796 CB HIS A 109 -12.100 19.044 15.707 1.00 45.53 C ATOM 1797 CG HIS A 109 -12.017 18.814 17.189 1.00 70.00 C ATOM 1798 ND1 HIS A 109 -10.841 18.924 17.899 1.00 32.53 N ATOM 1799 CD2 HIS A 109 -12.965 18.463 18.092 1.00 3.42 C ATOM 1800 CE1 HIS A 109 -11.067 18.653 19.171 1.00 32.41 C ATOM 1801 NE2 HIS A 109 -12.348 18.373 19.315 1.00 0.25 N ATOM 0 H HIS A 109 -12.032 20.022 13.407 1.00 73.53 H new ATOM 0 HA HIS A 109 -13.898 20.203 15.627 1.00 61.55 H new ATOM 0 HB2 HIS A 109 -12.581 18.182 15.245 1.00 45.53 H new ATOM 0 HB3 HIS A 109 -11.089 19.100 15.304 1.00 45.53 H new ATOM 0 HD2 HIS A 109 -14.011 18.287 17.887 1.00 3.42 H new ATOM 0 HE1 HIS A 109 -10.329 18.659 19.959 1.00 32.41 H new ATOM 0 HE2 HIS A 109 -12.806 18.129 20.193 1.00 0.25 H new ATOM 1810 N HIS A 110 -13.107 22.368 16.567 1.00 51.34 N ATOM 1811 CA HIS A 110 -12.658 23.606 17.199 1.00 2.45 C ATOM 1812 C HIS A 110 -12.048 24.507 16.119 1.00 71.33 C ATOM 1813 O HIS A 110 -12.576 24.570 15.005 1.00 12.30 O ATOM 1814 CB HIS A 110 -11.645 23.272 18.307 1.00 51.24 C ATOM 1815 CG HIS A 110 -11.617 24.240 19.451 1.00 3.42 C ATOM 1816 ND1 HIS A 110 -12.696 24.463 20.277 1.00 22.24 N ATOM 1817 CD2 HIS A 110 -10.617 25.016 19.930 1.00 21.22 C ATOM 1818 CE1 HIS A 110 -12.359 25.329 21.214 1.00 54.53 C ATOM 1819 NE2 HIS A 110 -11.103 25.681 21.028 1.00 32.42 N ATOM 0 H HIS A 110 -14.112 22.204 16.631 1.00 51.34 H new ATOM 0 HA HIS A 110 -13.490 24.136 17.662 1.00 2.45 H new ATOM 0 HB2 HIS A 110 -11.869 22.279 18.696 1.00 51.24 H new ATOM 0 HB3 HIS A 110 -10.649 23.224 17.866 1.00 51.24 H new ATOM 0 HD2 HIS A 110 -9.620 25.097 19.523 1.00 21.22 H new ATOM 0 HE1 HIS A 110 -13.005 25.689 22.001 1.00 54.53 H new ATOM 0 HE2 HIS A 110 -10.579 26.339 21.605 1.00 32.42 H new ATOM 1828 N HIS A 111 -10.952 25.199 16.439 1.00 40.05 N ATOM 1829 CA HIS A 111 -10.198 25.980 15.448 1.00 33.41 C ATOM 1830 C HIS A 111 -10.986 27.206 14.976 1.00 73.42 C ATOM 1831 O HIS A 111 -10.653 27.813 13.960 1.00 12.11 O ATOM 1832 CB HIS A 111 -9.810 25.110 14.237 1.00 44.21 C ATOM 1833 CG HIS A 111 -8.930 23.936 14.568 1.00 35.52 C ATOM 1834 ND1 HIS A 111 -8.695 22.895 13.690 1.00 12.35 N ATOM 1835 CD2 HIS A 111 -8.226 23.642 15.688 1.00 20.50 C ATOM 1836 CE1 HIS A 111 -7.888 22.018 14.259 1.00 40.32 C ATOM 1837 NE2 HIS A 111 -7.589 22.448 15.467 1.00 42.12 N ATOM 0 H HIS A 111 -10.563 25.236 17.381 1.00 40.05 H new ATOM 0 HA HIS A 111 -9.289 26.327 15.940 1.00 33.41 H new ATOM 0 HB2 HIS A 111 -10.720 24.743 13.763 1.00 44.21 H new ATOM 0 HB3 HIS A 111 -9.299 25.736 13.505 1.00 44.21 H new ATOM 0 HD2 HIS A 111 -8.176 24.238 16.588 1.00 20.50 H new ATOM 0 HE1 HIS A 111 -7.533 21.102 13.809 1.00 40.32 H new ATOM 0 HE2 HIS A 111 -6.981 21.970 16.132 1.00 42.12 H new ATOM 1846 N HIS A 112 -12.023 27.564 15.720 1.00 72.00 N ATOM 1847 CA HIS A 112 -12.831 28.729 15.396 1.00 1.13 C ATOM 1848 C HIS A 112 -12.654 29.796 16.471 1.00 65.24 C ATOM 1849 O HIS A 112 -13.278 29.669 17.542 1.00 38.06 O ATOM 1850 CB HIS A 112 -14.311 28.346 15.268 1.00 34.33 C ATOM 1851 CG HIS A 112 -15.207 29.502 14.936 1.00 33.43 C ATOM 1852 ND1 HIS A 112 -15.996 30.136 15.871 1.00 2.54 N ATOM 1853 CD2 HIS A 112 -15.433 30.140 13.765 1.00 1.43 C ATOM 1854 CE1 HIS A 112 -16.667 31.112 15.290 1.00 3.52 C ATOM 1855 NE2 HIS A 112 -16.345 31.138 14.011 1.00 2.32 N ATOM 1856 OXT HIS A 112 -11.882 30.749 16.246 1.00 38.06 O ATOM 0 H HIS A 112 -12.325 27.062 16.555 1.00 72.00 H new ATOM 0 HA HIS A 112 -12.498 29.127 14.438 1.00 1.13 H new ATOM 0 HB2 HIS A 112 -14.414 27.584 14.495 1.00 34.33 H new ATOM 0 HB3 HIS A 112 -14.643 27.898 16.204 1.00 34.33 H new ATOM 0 HD2 HIS A 112 -14.980 29.908 12.812 1.00 1.43 H new ATOM 0 HE1 HIS A 112 -17.363 31.778 15.779 1.00 3.52 H new ATOM 0 HE2 HIS A 112 -16.712 31.791 13.319 1.00 2.32 H new TER 1865 HIS A 112