USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= -1.33 K(o=-1.9,f=-4.7!) USER MOD Set 1.2: B 501 MET CE :methyl 137:sc= -1.2 (180deg=-3.01!) USER MOD Set 1.3: B 502 THR OG1 : rot 79:sc= 0.659 USER MOD Set 2.1: A 76 SER OG : rot 145:sc= 0.342 USER MOD Set 2.2: A 80 CYS SG : rot 49:sc= 1.26 USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0.0185 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -106:sc= -0.878 (180deg=-3.16!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -6.88! C(o=-6.9!,f=-15!) USER MOD Set 5.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 29:sc= 0.162 USER MOD Single : A 9 HIS : no HD1:sc= -0.0675 X(o=-0.068,f=-0.55) USER MOD Single : A 10 MET CE :methyl -156:sc= -0.196 (180deg=-0.909) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 16 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -1.33 F(o=-2.3,f=-1.3) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.57 F(o=-3.8!,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= 1.13 (180deg=-0.422) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0432! F(o=-0.79,f=-0.043!) USER MOD Single : A 31 ASN : amide:sc= -0.0782 K(o=-0.078,f=-3.3!) USER MOD Single : A 38 MET CE :methyl 160:sc= -11.6! (180deg=-14.4!) USER MOD Single : A 41 THR OG1 : rot -62:sc= 1.31 USER MOD Single : A 48 TYR OH : rot 35:sc= 1.07 USER MOD Single : A 49 THR OG1 : rot -89:sc= -1.65! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 76:sc= -1.98! USER MOD Single : A 61 CYS SG : rot 45:sc= 1.22 USER MOD Single : A 65 TYR OH : rot -95:sc= 0.491 USER MOD Single : A 67 TYR OH : rot 58:sc= 1.28 USER MOD Single : A 69 SER OG : rot 82:sc= 1.24 USER MOD Single : A 73 SER OG : rot 43:sc= -3.33! USER MOD Single : A 81 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.7) USER MOD Single : A 82 THR OG1 : rot -46:sc= 1.14 USER MOD Single : A 84 GLN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.191 (180deg=-0.64!) USER MOD Single : A 91 CYS SG : rot 53:sc= -5.83! USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 100 MET CE :methyl 176:sc= -6.02! (180deg=-6.1!) USER MOD Single : A 102 GLN : amide:sc= -7.39! C(o=-7.4!,f=-11!) USER MOD Single : A 105 MET CE :methyl -115:sc= -5.76! (180deg=-10.8!) USER MOD Single : A 106 GLN : amide:sc= -2.57! C(o=-2.6!,f=-2.1!) USER MOD Single : A 107 ASN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 108 ASN :FLIP amide:sc= -5.39! C(o=-7.5!,f=-5.4!) USER MOD Single : A 109 SER OG : rot 42:sc= 0.26 USER MOD Single : A 111 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.47) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 ASN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : B 503 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0167) USER MOD Single : B 509 ASN : amide:sc= -3.16 K(o=-3.2,f=-13!) USER MOD Single : B 511 GLN : amide:sc= -3.44! C(o=-3.4!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 4.051 17.502 15.997 1.00 0.00 N ATOM 2 CA SER A 8 3.089 18.066 15.028 1.00 0.00 C ATOM 3 C SER A 8 2.784 17.060 13.928 1.00 0.00 C ATOM 4 O SER A 8 3.550 16.120 13.713 1.00 0.00 O ATOM 5 CB SER A 8 3.659 19.342 14.408 1.00 0.00 C ATOM 6 OG SER A 8 4.068 20.259 15.406 1.00 0.00 O ATOM 0 HA SER A 8 2.166 18.300 15.558 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.507 19.092 13.771 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.907 19.807 13.770 1.00 0.00 H new ATOM 0 HG SER A 8 4.334 19.769 16.212 1.00 0.00 H new ATOM 14 N HIS A 9 1.658 17.265 13.246 1.00 0.00 N ATOM 15 CA HIS A 9 1.282 16.472 12.074 1.00 0.00 C ATOM 16 C HIS A 9 1.223 14.977 12.383 1.00 0.00 C ATOM 17 O HIS A 9 2.129 14.217 12.044 1.00 0.00 O ATOM 18 CB HIS A 9 2.242 16.757 10.915 1.00 0.00 C ATOM 19 CG HIS A 9 1.940 16.012 9.646 1.00 0.00 C ATOM 20 ND1 HIS A 9 2.604 14.868 9.266 1.00 0.00 N ATOM 21 CD2 HIS A 9 1.051 16.268 8.658 1.00 0.00 C ATOM 22 CE1 HIS A 9 2.142 14.454 8.105 1.00 0.00 C ATOM 23 NE2 HIS A 9 1.196 15.286 7.709 1.00 0.00 N ATOM 0 H HIS A 9 0.979 17.986 13.490 1.00 0.00 H new ATOM 0 HA HIS A 9 0.276 16.771 11.781 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.226 17.826 10.704 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.255 16.510 11.232 1.00 0.00 H new ATOM 0 HD2 HIS A 9 0.355 17.093 8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.480 13.581 7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 9 0.662 15.212 6.843 1.00 0.00 H new ATOM 32 N MET A 10 0.159 14.569 13.045 1.00 0.00 N ATOM 33 CA MET A 10 -0.124 13.155 13.223 1.00 0.00 C ATOM 34 C MET A 10 -1.304 12.783 12.341 1.00 0.00 C ATOM 35 O MET A 10 -1.140 12.189 11.278 1.00 0.00 O ATOM 36 CB MET A 10 -0.409 12.842 14.691 1.00 0.00 C ATOM 37 CG MET A 10 0.817 12.988 15.571 1.00 0.00 C ATOM 38 SD MET A 10 0.429 13.000 17.331 1.00 0.00 S ATOM 39 CE MET A 10 -0.546 14.498 17.456 1.00 0.00 C ATOM 0 H MET A 10 -0.525 15.195 13.469 1.00 0.00 H new ATOM 0 HA MET A 10 0.744 12.564 12.932 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.193 13.507 15.054 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.791 11.824 14.773 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.506 12.169 15.363 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.334 13.912 15.313 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.503 14.876 18.477 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.148 15.249 16.774 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.581 14.281 17.193 1.00 0.00 H new ATOM 49 N ASP A 11 -2.488 13.178 12.770 1.00 0.00 N ATOM 50 CA ASP A 11 -3.672 13.103 11.930 1.00 0.00 C ATOM 51 C ASP A 11 -4.283 14.492 11.854 1.00 0.00 C ATOM 52 O ASP A 11 -5.424 14.686 11.430 1.00 0.00 O ATOM 53 CB ASP A 11 -4.669 12.076 12.471 1.00 0.00 C ATOM 54 CG ASP A 11 -5.853 11.844 11.545 1.00 0.00 C ATOM 55 OD1 ASP A 11 -5.667 11.233 10.473 1.00 0.00 O ATOM 56 OD2 ASP A 11 -6.980 12.262 11.891 1.00 0.00 O ATOM 0 H ASP A 11 -2.657 13.557 13.702 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.400 12.768 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.153 11.130 12.634 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.035 12.411 13.441 1.00 0.00 H new ATOM 61 N THR A 12 -3.481 15.472 12.259 1.00 0.00 N ATOM 62 CA THR A 12 -3.816 16.873 12.092 1.00 0.00 C ATOM 63 C THR A 12 -3.535 17.261 10.646 1.00 0.00 C ATOM 64 O THR A 12 -2.864 18.249 10.352 1.00 0.00 O ATOM 65 CB THR A 12 -2.980 17.737 13.050 1.00 0.00 C ATOM 66 OG1 THR A 12 -1.598 17.362 12.960 1.00 0.00 O ATOM 67 CG2 THR A 12 -3.461 17.587 14.478 1.00 0.00 C ATOM 0 H THR A 12 -2.581 15.312 12.712 1.00 0.00 H new ATOM 0 HA THR A 12 -4.868 17.037 12.323 1.00 0.00 H new ATOM 0 HB THR A 12 -3.095 18.781 12.759 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.068 17.916 13.571 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.852 18.209 15.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.503 17.900 14.546 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.375 16.544 14.783 1.00 0.00 H new ATOM 75 N VAL A 13 -4.062 16.441 9.758 1.00 0.00 N ATOM 76 CA VAL A 13 -3.711 16.452 8.358 1.00 0.00 C ATOM 77 C VAL A 13 -4.687 17.302 7.562 1.00 0.00 C ATOM 78 O VAL A 13 -5.833 17.498 7.966 1.00 0.00 O ATOM 79 CB VAL A 13 -3.688 14.993 7.840 1.00 0.00 C ATOM 80 CG1 VAL A 13 -4.868 14.673 6.933 1.00 0.00 C ATOM 81 CG2 VAL A 13 -2.370 14.681 7.160 1.00 0.00 C ATOM 0 H VAL A 13 -4.759 15.736 9.998 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.723 16.895 8.231 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.786 14.347 8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.800 13.637 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.799 14.817 7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.851 15.335 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.379 13.650 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.228 15.355 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.554 14.813 7.870 1.00 0.00 H new ATOM 91 N PRO A 14 -4.222 17.826 6.430 1.00 0.00 N ATOM 92 CA PRO A 14 -5.054 18.579 5.504 1.00 0.00 C ATOM 93 C PRO A 14 -6.132 17.667 4.954 1.00 0.00 C ATOM 94 O PRO A 14 -5.818 16.582 4.460 1.00 0.00 O ATOM 95 CB PRO A 14 -4.083 19.017 4.400 1.00 0.00 C ATOM 96 CG PRO A 14 -2.714 18.770 4.947 1.00 0.00 C ATOM 97 CD PRO A 14 -2.851 17.680 5.954 1.00 0.00 C ATOM 0 HA PRO A 14 -5.558 19.431 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.248 18.448 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.222 20.069 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.025 18.480 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.311 19.673 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.683 16.699 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.131 17.790 6.765 1.00 0.00 H new ATOM 105 N ASP A 15 -7.383 18.116 5.054 1.00 0.00 N ATOM 106 CA ASP A 15 -8.560 17.269 4.828 1.00 0.00 C ATOM 107 C ASP A 15 -8.429 16.435 3.561 1.00 0.00 C ATOM 108 O ASP A 15 -8.707 16.906 2.458 1.00 0.00 O ATOM 109 CB ASP A 15 -9.827 18.121 4.770 1.00 0.00 C ATOM 110 CG ASP A 15 -11.082 17.290 4.941 1.00 0.00 C ATOM 111 OD1 ASP A 15 -11.219 16.623 5.990 1.00 0.00 O ATOM 112 OD2 ASP A 15 -11.944 17.300 4.039 1.00 0.00 O ATOM 0 H ASP A 15 -7.612 19.080 5.295 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.629 16.579 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.788 18.882 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.867 18.645 3.815 1.00 0.00 H new ATOM 117 N ASN A 16 -8.001 15.191 3.755 1.00 0.00 N ATOM 118 CA ASN A 16 -7.723 14.258 2.671 1.00 0.00 C ATOM 119 C ASN A 16 -6.912 14.874 1.547 1.00 0.00 C ATOM 120 O ASN A 16 -7.385 15.010 0.415 1.00 0.00 O ATOM 121 CB ASN A 16 -8.989 13.628 2.135 1.00 0.00 C ATOM 122 CG ASN A 16 -9.478 12.540 3.057 1.00 0.00 C ATOM 123 OD1 ASN A 16 -10.407 12.733 3.844 1.00 0.00 O ATOM 124 ND2 ASN A 16 -8.812 11.402 3.003 1.00 0.00 N ATOM 0 H ASN A 16 -7.836 14.799 4.682 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.108 13.472 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.760 14.390 2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.803 13.215 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.059 10.636 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.050 11.288 2.335 1.00 0.00 H new ATOM 131 N HIS A 17 -5.680 15.235 1.865 1.00 0.00 N ATOM 132 CA HIS A 17 -4.742 15.677 0.840 1.00 0.00 C ATOM 133 C HIS A 17 -4.292 14.457 0.049 1.00 0.00 C ATOM 134 O HIS A 17 -4.682 13.341 0.390 1.00 0.00 O ATOM 135 CB HIS A 17 -3.539 16.436 1.435 1.00 0.00 C ATOM 136 CG HIS A 17 -2.563 15.601 2.217 1.00 0.00 C ATOM 137 ND1 HIS A 17 -2.550 15.230 3.519 1.00 0.00 N flip ATOM 138 CD2 HIS A 17 -1.415 15.073 1.667 1.00 0.00 C flip ATOM 139 CE1 HIS A 17 -1.412 14.492 3.721 1.00 0.00 C flip ATOM 140 NE2 HIS A 17 -0.748 14.412 2.591 1.00 0.00 N flip ATOM 0 H HIS A 17 -5.306 15.232 2.814 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.243 16.386 0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.002 16.923 0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.916 17.225 2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.109 15.184 0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.111 14.048 4.658 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.135 13.921 2.452 1.00 0.00 H new ATOM 149 N ARG A 18 -3.477 14.655 -0.978 1.00 0.00 N ATOM 150 CA ARG A 18 -3.131 13.575 -1.899 1.00 0.00 C ATOM 151 C ARG A 18 -2.738 12.298 -1.169 1.00 0.00 C ATOM 152 O ARG A 18 -3.340 11.257 -1.364 1.00 0.00 O ATOM 153 CB ARG A 18 -1.991 13.974 -2.826 1.00 0.00 C ATOM 154 CG ARG A 18 -1.727 12.949 -3.919 1.00 0.00 C ATOM 155 CD ARG A 18 -2.739 13.014 -5.055 1.00 0.00 C ATOM 156 NE ARG A 18 -4.128 12.988 -4.599 1.00 0.00 N ATOM 157 CZ ARG A 18 -5.146 13.513 -5.278 1.00 0.00 C ATOM 158 NH1 ARG A 18 -4.967 13.959 -6.515 1.00 0.00 N ATOM 159 NH2 ARG A 18 -6.351 13.560 -4.727 1.00 0.00 N ATOM 0 H ARG A 18 -3.042 15.552 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.031 13.385 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.223 14.935 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.084 14.112 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.726 13.106 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.742 11.950 -3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.570 13.925 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.570 12.175 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.330 12.540 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.046 13.900 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.750 14.360 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.496 13.195 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.133 13.962 -5.244 1.00 0.00 H new ATOM 173 N ASN A 19 -1.743 12.385 -0.316 1.00 0.00 N ATOM 174 CA ASN A 19 -1.160 11.194 0.291 1.00 0.00 C ATOM 175 C ASN A 19 -1.938 10.707 1.523 1.00 0.00 C ATOM 176 O ASN A 19 -1.422 9.929 2.324 1.00 0.00 O ATOM 177 CB ASN A 19 0.292 11.478 0.669 1.00 0.00 C ATOM 178 CG ASN A 19 1.248 11.526 -0.513 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.771 12.003 -1.650 1.00 0.00 O flip ATOM 180 ND2 ASN A 19 2.418 11.162 -0.395 1.00 0.00 N flip ATOM 0 H ASN A 19 -1.316 13.263 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.212 10.394 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.338 12.430 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.631 10.710 1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.752 10.799 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.054 11.223 -1.190 1.00 0.00 H new ATOM 187 N LYS A 20 -3.167 11.165 1.679 1.00 0.00 N ATOM 188 CA LYS A 20 -4.049 10.671 2.731 1.00 0.00 C ATOM 189 C LYS A 20 -5.396 10.379 2.107 1.00 0.00 C ATOM 190 O LYS A 20 -6.185 11.286 1.839 1.00 0.00 O ATOM 191 CB LYS A 20 -4.185 11.728 3.823 1.00 0.00 C ATOM 192 CG LYS A 20 -3.708 11.237 5.170 1.00 0.00 C ATOM 193 CD LYS A 20 -4.745 10.379 5.849 1.00 0.00 C ATOM 194 CE LYS A 20 -4.388 10.113 7.296 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.515 11.328 8.141 1.00 0.00 N ATOM 0 H LYS A 20 -3.583 11.884 1.087 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.644 9.765 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.615 12.613 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.229 12.033 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.788 10.666 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.469 12.090 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.716 10.872 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.840 9.432 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.036 9.330 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.366 9.739 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.732 11.049 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.621 11.859 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.281 11.928 7.774 1.00 0.00 H new ATOM 209 N PHE A 21 -5.666 9.111 1.899 1.00 0.00 N ATOM 210 CA PHE A 21 -6.868 8.711 1.174 1.00 0.00 C ATOM 211 C PHE A 21 -7.822 7.919 2.034 1.00 0.00 C ATOM 212 O PHE A 21 -7.433 6.974 2.689 1.00 0.00 O ATOM 213 CB PHE A 21 -6.492 7.896 -0.065 1.00 0.00 C ATOM 214 CG PHE A 21 -6.023 8.729 -1.218 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.487 10.025 -1.416 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.109 8.214 -2.107 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.034 10.774 -2.483 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.657 8.951 -3.162 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.113 10.232 -3.355 1.00 0.00 C ATOM 0 H PHE A 21 -5.080 8.338 2.215 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.378 9.626 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.708 7.188 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.356 7.311 -0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.206 10.448 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.742 7.208 -1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.399 11.779 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.939 8.526 -3.847 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.751 10.815 -4.189 1.00 0.00 H new ATOM 229 N LYS A 22 -9.075 8.314 2.026 1.00 0.00 N ATOM 230 CA LYS A 22 -10.106 7.544 2.689 1.00 0.00 C ATOM 231 C LYS A 22 -10.488 6.346 1.834 1.00 0.00 C ATOM 232 O LYS A 22 -11.180 6.485 0.828 1.00 0.00 O ATOM 233 CB LYS A 22 -11.325 8.411 2.957 1.00 0.00 C ATOM 234 CG LYS A 22 -11.415 8.939 4.369 1.00 0.00 C ATOM 235 CD LYS A 22 -11.673 7.827 5.373 1.00 0.00 C ATOM 236 CE LYS A 22 -13.064 7.247 5.211 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.376 6.216 6.235 1.00 0.00 N ATOM 0 H LYS A 22 -9.406 9.163 1.568 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.720 7.188 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.315 9.254 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.223 7.832 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.488 9.452 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.215 9.677 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.931 7.039 5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.554 8.214 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.798 8.050 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.157 6.807 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.338 5.852 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.694 5.435 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.315 6.639 7.183 1.00 0.00 H new ATOM 251 N VAL A 23 -10.018 5.177 2.233 1.00 0.00 N ATOM 252 CA VAL A 23 -10.319 3.951 1.528 1.00 0.00 C ATOM 253 C VAL A 23 -11.450 3.230 2.243 1.00 0.00 C ATOM 254 O VAL A 23 -12.033 3.750 3.188 1.00 0.00 O ATOM 255 CB VAL A 23 -9.070 3.031 1.467 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.901 3.768 0.849 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.695 2.533 2.852 1.00 0.00 C ATOM 0 H VAL A 23 -9.421 5.055 3.051 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.617 4.194 0.508 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.316 2.170 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.033 3.109 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.161 4.080 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.666 4.646 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.817 1.891 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.472 3.383 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.526 1.967 3.273 1.00 0.00 H new ATOM 267 N ILE A 24 -11.781 2.054 1.787 1.00 0.00 N ATOM 268 CA ILE A 24 -12.728 1.230 2.495 1.00 0.00 C ATOM 269 C ILE A 24 -12.132 -0.142 2.727 1.00 0.00 C ATOM 270 O ILE A 24 -11.988 -0.899 1.783 1.00 0.00 O ATOM 271 CB ILE A 24 -14.025 1.034 1.712 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.771 2.325 1.463 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.933 0.124 2.466 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.668 2.229 0.247 1.00 0.00 C ATOM 0 H ILE A 24 -11.411 1.643 0.930 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.950 1.740 3.432 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.738 0.614 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.371 2.573 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.057 3.137 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.857 -0.014 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.446 -0.841 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.160 0.561 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.187 3.177 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.065 2.007 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.399 1.434 0.396 1.00 0.00 H new ATOM 286 N ASN A 25 -11.782 -0.486 3.947 1.00 0.00 N ATOM 287 CA ASN A 25 -11.244 -1.813 4.170 1.00 0.00 C ATOM 288 C ASN A 25 -12.326 -2.848 3.892 1.00 0.00 C ATOM 289 O ASN A 25 -13.366 -2.887 4.556 1.00 0.00 O ATOM 290 CB ASN A 25 -10.636 -1.940 5.578 1.00 0.00 C ATOM 291 CG ASN A 25 -11.079 -3.178 6.345 1.00 0.00 C ATOM 292 OD1 ASN A 25 -12.074 -3.020 7.199 1.00 0.00 O flip ATOM 293 ND2 ASN A 25 -10.509 -4.255 6.203 1.00 0.00 N flip ATOM 0 H ASN A 25 -11.855 0.108 4.773 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.422 -1.997 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.549 -1.950 5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.901 -1.055 6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.744 -4.343 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.800 -5.063 6.754 1.00 0.00 H new ATOM 300 N VAL A 26 -12.092 -3.636 2.852 1.00 0.00 N ATOM 301 CA VAL A 26 -13.078 -4.572 2.348 1.00 0.00 C ATOM 302 C VAL A 26 -12.423 -5.933 2.177 1.00 0.00 C ATOM 303 O VAL A 26 -11.373 -6.046 1.553 1.00 0.00 O ATOM 304 CB VAL A 26 -13.653 -4.061 1.001 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.458 -2.791 1.231 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.551 -3.797 -0.005 1.00 0.00 C ATOM 0 H VAL A 26 -11.212 -3.642 2.336 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.904 -4.661 3.054 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.302 -4.837 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.859 -2.437 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.279 -3.000 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.813 -2.024 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.988 -3.440 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.871 -3.042 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.000 -4.719 -0.192 1.00 0.00 H new ATOM 316 N ASP A 27 -13.019 -6.979 2.720 1.00 0.00 N ATOM 317 CA ASP A 27 -12.328 -8.256 2.723 1.00 0.00 C ATOM 318 C ASP A 27 -13.140 -9.372 2.094 1.00 0.00 C ATOM 319 O ASP A 27 -14.283 -9.619 2.477 1.00 0.00 O ATOM 320 CB ASP A 27 -11.916 -8.641 4.146 1.00 0.00 C ATOM 321 CG ASP A 27 -11.200 -9.977 4.209 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.214 -10.164 3.469 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.621 -10.844 5.006 1.00 0.00 O ATOM 0 H ASP A 27 -13.944 -6.975 3.149 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.438 -8.127 2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.267 -7.866 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.803 -8.679 4.779 1.00 0.00 H new ATOM 328 N ASP A 28 -12.510 -10.024 1.115 1.00 0.00 N ATOM 329 CA ASP A 28 -13.013 -11.245 0.464 1.00 0.00 C ATOM 330 C ASP A 28 -14.417 -11.089 -0.137 1.00 0.00 C ATOM 331 O ASP A 28 -15.011 -12.053 -0.615 1.00 0.00 O ATOM 332 CB ASP A 28 -12.986 -12.409 1.454 1.00 0.00 C ATOM 333 CG ASP A 28 -13.087 -13.752 0.765 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.387 -13.954 -0.253 1.00 0.00 O ATOM 335 OD2 ASP A 28 -13.839 -14.621 1.257 1.00 0.00 O ATOM 0 H ASP A 28 -11.613 -9.714 0.740 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.347 -11.448 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.064 -12.369 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.810 -12.302 2.159 1.00 0.00 H new ATOM 340 N ASP A 29 -14.941 -9.880 -0.123 1.00 0.00 N ATOM 341 CA ASP A 29 -16.261 -9.618 -0.678 1.00 0.00 C ATOM 342 C ASP A 29 -16.313 -8.213 -1.260 1.00 0.00 C ATOM 343 O ASP A 29 -17.270 -7.827 -1.923 1.00 0.00 O ATOM 344 CB ASP A 29 -17.331 -9.783 0.412 1.00 0.00 C ATOM 345 CG ASP A 29 -18.748 -9.613 -0.108 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.229 -10.511 -0.833 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.390 -8.585 0.216 1.00 0.00 O ATOM 0 H ASP A 29 -14.475 -9.060 0.266 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.459 -10.334 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.232 -10.771 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.151 -9.054 1.202 1.00 0.00 H new ATOM 352 N GLY A 30 -15.238 -7.465 -1.034 1.00 0.00 N ATOM 353 CA GLY A 30 -15.245 -6.040 -1.306 1.00 0.00 C ATOM 354 C GLY A 30 -16.229 -5.353 -0.393 1.00 0.00 C ATOM 355 O GLY A 30 -16.697 -4.254 -0.670 1.00 0.00 O ATOM 0 H GLY A 30 -14.357 -7.823 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.247 -5.627 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.513 -5.860 -2.347 1.00 0.00 H new ATOM 359 N ASN A 31 -16.528 -6.023 0.713 1.00 0.00 N ATOM 360 CA ASN A 31 -17.472 -5.522 1.692 1.00 0.00 C ATOM 361 C ASN A 31 -16.776 -4.572 2.624 1.00 0.00 C ATOM 362 O ASN A 31 -15.787 -4.949 3.244 1.00 0.00 O ATOM 363 CB ASN A 31 -18.058 -6.670 2.516 1.00 0.00 C ATOM 364 CG ASN A 31 -19.320 -6.272 3.264 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.597 -5.087 3.468 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.073 -7.257 3.715 1.00 0.00 N ATOM 0 H ASN A 31 -16.121 -6.927 0.952 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.276 -5.013 1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.281 -7.508 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.311 -7.017 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.915 -7.050 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.813 -8.225 3.527 1.00 0.00 H new ATOM 373 N GLU A 32 -17.251 -3.332 2.673 1.00 0.00 N ATOM 374 CA GLU A 32 -16.765 -2.363 3.636 1.00 0.00 C ATOM 375 C GLU A 32 -16.855 -2.910 5.064 1.00 0.00 C ATOM 376 O GLU A 32 -17.826 -2.661 5.774 1.00 0.00 O ATOM 377 CB GLU A 32 -17.581 -1.078 3.523 1.00 0.00 C ATOM 378 CG GLU A 32 -17.907 -0.707 2.085 1.00 0.00 C ATOM 379 CD GLU A 32 -19.302 -1.116 1.681 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.268 -0.453 2.097 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.432 -2.111 0.944 1.00 0.00 O ATOM 0 H GLU A 32 -17.977 -2.977 2.051 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.717 -2.156 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.509 -1.193 4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.028 -0.261 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.797 0.370 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.186 -1.182 1.419 1.00 0.00 H new ATOM 388 N LEU A 33 -15.835 -3.644 5.475 1.00 0.00 N ATOM 389 CA LEU A 33 -15.772 -4.229 6.807 1.00 0.00 C ATOM 390 C LEU A 33 -15.147 -3.238 7.773 1.00 0.00 C ATOM 391 O LEU A 33 -14.558 -3.610 8.788 1.00 0.00 O ATOM 392 CB LEU A 33 -14.958 -5.527 6.769 1.00 0.00 C ATOM 393 CG LEU A 33 -15.753 -6.816 6.509 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.013 -6.524 5.736 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.916 -7.795 5.716 1.00 0.00 C ATOM 0 H LEU A 33 -15.023 -3.853 4.893 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.781 -4.462 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.196 -5.432 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.435 -5.632 7.720 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.014 -7.245 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.558 -7.452 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.638 -5.836 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.756 -6.072 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.490 -8.704 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.640 -7.348 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.014 -8.040 6.276 1.00 0.00 H new ATOM 407 N GLY A 34 -15.286 -1.971 7.433 1.00 0.00 N ATOM 408 CA GLY A 34 -14.663 -0.911 8.182 1.00 0.00 C ATOM 409 C GLY A 34 -13.876 -0.009 7.265 1.00 0.00 C ATOM 410 O GLY A 34 -12.662 -0.168 7.122 1.00 0.00 O ATOM 0 H GLY A 34 -15.833 -1.654 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.424 -0.332 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.004 -1.333 8.941 1.00 0.00 H new ATOM 414 N SER A 35 -14.564 0.912 6.607 1.00 0.00 N ATOM 415 CA SER A 35 -13.916 1.781 5.644 1.00 0.00 C ATOM 416 C SER A 35 -12.837 2.620 6.329 1.00 0.00 C ATOM 417 O SER A 35 -13.081 3.268 7.349 1.00 0.00 O ATOM 418 CB SER A 35 -14.948 2.645 4.919 1.00 0.00 C ATOM 419 OG SER A 35 -15.696 3.432 5.829 1.00 0.00 O ATOM 0 H SER A 35 -15.564 1.074 6.723 1.00 0.00 H new ATOM 0 HA SER A 35 -13.423 1.171 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.443 3.295 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.622 2.007 4.348 1.00 0.00 H new ATOM 0 HG SER A 35 -16.346 3.974 5.335 1.00 0.00 H new ATOM 425 N GLY A 36 -11.642 2.594 5.763 1.00 0.00 N ATOM 426 CA GLY A 36 -10.484 3.130 6.440 1.00 0.00 C ATOM 427 C GLY A 36 -9.902 4.349 5.751 1.00 0.00 C ATOM 428 O GLY A 36 -10.529 4.955 4.899 1.00 0.00 O ATOM 0 H GLY A 36 -11.453 2.207 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.758 3.394 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.718 2.357 6.505 1.00 0.00 H new ATOM 432 N ILE A 37 -8.721 4.733 6.179 1.00 0.00 N ATOM 433 CA ILE A 37 -7.858 5.605 5.409 1.00 0.00 C ATOM 434 C ILE A 37 -6.764 4.732 4.843 1.00 0.00 C ATOM 435 O ILE A 37 -6.576 3.628 5.301 1.00 0.00 O ATOM 436 CB ILE A 37 -7.172 6.693 6.284 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.175 7.659 6.903 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.162 7.503 5.479 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.555 8.804 5.988 1.00 0.00 C ATOM 0 H ILE A 37 -8.328 4.448 7.076 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.458 6.111 4.652 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.663 6.151 7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.075 7.109 7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.756 8.064 7.824 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.702 8.254 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.391 6.839 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.669 7.997 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.272 9.451 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.664 9.378 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.003 8.408 5.077 1.00 0.00 H new ATOM 451 N MET A 38 -6.075 5.205 3.858 1.00 0.00 N ATOM 452 CA MET A 38 -4.836 4.619 3.474 1.00 0.00 C ATOM 453 C MET A 38 -3.831 5.735 3.307 1.00 0.00 C ATOM 454 O MET A 38 -3.791 6.427 2.288 1.00 0.00 O ATOM 455 CB MET A 38 -5.000 3.783 2.233 1.00 0.00 C ATOM 456 CG MET A 38 -3.789 2.976 1.917 1.00 0.00 C ATOM 457 SD MET A 38 -3.413 1.811 3.218 1.00 0.00 S ATOM 458 CE MET A 38 -5.025 1.062 3.342 1.00 0.00 C ATOM 0 H MET A 38 -6.356 6.009 3.297 1.00 0.00 H new ATOM 0 HA MET A 38 -4.474 3.934 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.853 3.116 2.360 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.228 4.434 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.944 2.439 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.938 3.640 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.938 0.090 3.827 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.680 1.704 3.931 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.444 0.933 2.344 1.00 0.00 H new ATOM 468 N GLU A 39 -3.074 5.943 4.366 1.00 0.00 N ATOM 469 CA GLU A 39 -2.131 7.025 4.453 1.00 0.00 C ATOM 470 C GLU A 39 -0.882 6.653 3.688 1.00 0.00 C ATOM 471 O GLU A 39 -0.057 5.882 4.182 1.00 0.00 O ATOM 472 CB GLU A 39 -1.737 7.220 5.902 1.00 0.00 C ATOM 473 CG GLU A 39 -1.054 8.528 6.191 1.00 0.00 C ATOM 474 CD GLU A 39 -0.756 8.755 7.657 1.00 0.00 C ATOM 475 OE1 GLU A 39 0.283 8.274 8.149 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.550 9.445 8.320 1.00 0.00 O ATOM 0 H GLU A 39 -3.102 5.354 5.198 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.580 7.931 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.631 7.146 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.076 6.406 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.120 8.571 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.681 9.342 5.828 1.00 0.00 H new ATOM 483 N LEU A 40 -0.738 7.163 2.494 1.00 0.00 N ATOM 484 CA LEU A 40 0.409 6.827 1.701 1.00 0.00 C ATOM 485 C LEU A 40 1.591 7.717 2.026 1.00 0.00 C ATOM 486 O LEU A 40 1.639 8.879 1.631 1.00 0.00 O ATOM 487 CB LEU A 40 0.063 6.917 0.234 1.00 0.00 C ATOM 488 CG LEU A 40 -0.260 5.591 -0.431 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.561 5.833 -1.880 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.912 4.634 -0.300 1.00 0.00 C ATOM 0 H LEU A 40 -1.395 7.807 2.054 1.00 0.00 H new ATOM 0 HA LEU A 40 0.698 5.803 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.792 7.583 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.899 7.377 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.126 5.144 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.794 4.886 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.414 6.505 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.307 6.284 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.665 3.688 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.790 5.067 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.123 4.460 0.755 1.00 0.00 H new ATOM 502 N THR A 41 2.537 7.173 2.764 1.00 0.00 N ATOM 503 CA THR A 41 3.751 7.892 3.065 1.00 0.00 C ATOM 504 C THR A 41 4.948 7.223 2.400 1.00 0.00 C ATOM 505 O THR A 41 4.781 6.407 1.491 1.00 0.00 O ATOM 506 CB THR A 41 3.997 7.986 4.569 1.00 0.00 C ATOM 507 OG1 THR A 41 4.234 6.686 5.127 1.00 0.00 O ATOM 508 CG2 THR A 41 2.821 8.649 5.271 1.00 0.00 C ATOM 0 H THR A 41 2.486 6.236 3.165 1.00 0.00 H new ATOM 0 HA THR A 41 3.630 8.902 2.673 1.00 0.00 H new ATOM 0 HB THR A 41 4.884 8.600 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.442 6.124 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.020 8.704 6.341 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.681 9.655 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.918 8.063 5.100 1.00 0.00 H new ATOM 516 N ASP A 42 6.146 7.564 2.870 1.00 0.00 N ATOM 517 CA ASP A 42 7.388 7.030 2.318 1.00 0.00 C ATOM 518 C ASP A 42 7.425 5.537 2.412 1.00 0.00 C ATOM 519 O ASP A 42 7.698 4.853 1.435 1.00 0.00 O ATOM 520 CB ASP A 42 8.608 7.569 3.070 1.00 0.00 C ATOM 521 CG ASP A 42 8.349 8.890 3.756 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.921 8.873 4.935 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.566 9.948 3.126 1.00 0.00 O ATOM 0 H ASP A 42 6.282 8.216 3.642 1.00 0.00 H new ATOM 0 HA ASP A 42 7.420 7.344 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.921 6.836 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.435 7.687 2.370 1.00 0.00 H new ATOM 528 N THR A 43 7.181 5.013 3.583 1.00 0.00 N ATOM 529 CA THR A 43 7.395 3.612 3.762 1.00 0.00 C ATOM 530 C THR A 43 6.221 2.904 4.400 1.00 0.00 C ATOM 531 O THR A 43 6.174 1.685 4.380 1.00 0.00 O ATOM 532 CB THR A 43 8.620 3.346 4.631 1.00 0.00 C ATOM 533 OG1 THR A 43 8.379 3.794 5.971 1.00 0.00 O ATOM 534 CG2 THR A 43 9.842 4.055 4.092 1.00 0.00 C ATOM 0 H THR A 43 6.844 5.520 4.401 1.00 0.00 H new ATOM 0 HA THR A 43 7.538 3.219 2.755 1.00 0.00 H new ATOM 0 HB THR A 43 8.803 2.272 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.170 3.618 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.697 3.845 4.734 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.051 3.703 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.660 5.129 4.071 1.00 0.00 H new ATOM 542 N GLU A 44 5.296 3.628 5.000 1.00 0.00 N ATOM 543 CA GLU A 44 4.171 2.960 5.620 1.00 0.00 C ATOM 544 C GLU A 44 2.847 3.466 5.112 1.00 0.00 C ATOM 545 O GLU A 44 2.573 4.665 5.061 1.00 0.00 O ATOM 546 CB GLU A 44 4.221 3.018 7.144 1.00 0.00 C ATOM 547 CG GLU A 44 4.841 1.774 7.751 1.00 0.00 C ATOM 548 CD GLU A 44 5.240 1.938 9.198 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.158 2.734 9.474 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.678 1.236 10.055 1.00 0.00 O ATOM 0 H GLU A 44 5.298 4.646 5.071 1.00 0.00 H new ATOM 0 HA GLU A 44 4.258 1.913 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.793 3.893 7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.211 3.144 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.133 0.949 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.721 1.497 7.170 1.00 0.00 H new ATOM 557 N LEU A 45 2.057 2.507 4.709 1.00 0.00 N ATOM 558 CA LEU A 45 0.699 2.714 4.306 1.00 0.00 C ATOM 559 C LEU A 45 -0.198 2.656 5.526 1.00 0.00 C ATOM 560 O LEU A 45 -0.647 1.590 5.939 1.00 0.00 O ATOM 561 CB LEU A 45 0.354 1.626 3.296 1.00 0.00 C ATOM 562 CG LEU A 45 0.558 1.989 1.851 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.011 0.782 1.064 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.728 2.485 1.283 1.00 0.00 C ATOM 0 H LEU A 45 2.353 1.533 4.652 1.00 0.00 H new ATOM 0 HA LEU A 45 0.557 3.691 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.956 0.745 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.689 1.343 3.437 1.00 0.00 H new ATOM 0 HG LEU A 45 1.322 2.764 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.154 1.061 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.951 0.413 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.255 -0.000 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.585 2.749 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.485 1.704 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.056 3.364 1.838 1.00 0.00 H new ATOM 576 N ILE A 46 -0.432 3.815 6.112 1.00 0.00 N ATOM 577 CA ILE A 46 -1.156 3.891 7.362 1.00 0.00 C ATOM 578 C ILE A 46 -2.672 3.874 7.099 1.00 0.00 C ATOM 579 O ILE A 46 -3.293 4.906 6.857 1.00 0.00 O ATOM 580 CB ILE A 46 -0.760 5.150 8.178 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.755 5.244 8.342 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.420 5.100 9.511 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.416 3.915 8.532 1.00 0.00 C ATOM 0 H ILE A 46 -0.130 4.716 5.741 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.888 3.018 7.957 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.092 6.037 7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.179 5.730 7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.982 5.880 9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.144 5.983 10.087 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.502 5.075 9.381 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.098 4.205 10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.491 4.056 8.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.019 3.436 9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.220 3.284 7.665 1.00 0.00 H new ATOM 595 N LEU A 47 -3.256 2.691 7.142 1.00 0.00 N ATOM 596 CA LEU A 47 -4.687 2.510 6.917 1.00 0.00 C ATOM 597 C LEU A 47 -5.466 2.902 8.172 1.00 0.00 C ATOM 598 O LEU A 47 -5.400 2.203 9.178 1.00 0.00 O ATOM 599 CB LEU A 47 -4.974 1.038 6.649 1.00 0.00 C ATOM 600 CG LEU A 47 -6.428 0.580 6.853 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.321 0.895 5.662 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.434 -0.898 7.114 1.00 0.00 C ATOM 0 H LEU A 47 -2.755 1.824 7.334 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.985 3.130 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.686 0.815 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.333 0.441 7.297 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.834 1.130 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.334 0.548 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.333 1.971 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.936 0.391 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.459 -1.237 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.998 -1.420 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.849 -1.112 8.009 1.00 0.00 H new ATOM 614 N TYR A 48 -6.208 3.993 8.148 1.00 0.00 N ATOM 615 CA TYR A 48 -6.980 4.353 9.332 1.00 0.00 C ATOM 616 C TYR A 48 -8.307 3.627 9.314 1.00 0.00 C ATOM 617 O TYR A 48 -9.260 4.116 8.726 1.00 0.00 O ATOM 618 CB TYR A 48 -7.248 5.846 9.412 1.00 0.00 C ATOM 619 CG TYR A 48 -6.036 6.638 9.729 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.971 6.555 8.895 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.956 7.453 10.842 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.831 7.239 9.128 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.810 8.165 11.102 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.740 8.055 10.244 1.00 0.00 C ATOM 625 OH TYR A 48 -2.587 8.748 10.514 1.00 0.00 O ATOM 0 H TYR A 48 -6.295 4.628 7.355 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.389 4.064 10.201 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.659 6.187 8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.006 6.033 10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.036 5.925 8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.800 7.531 11.512 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.996 7.151 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.750 8.804 11.970 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.168 9.027 9.673 1.00 0.00 H new ATOM 635 N THR A 49 -8.392 2.506 9.997 1.00 0.00 N ATOM 636 CA THR A 49 -9.597 1.689 9.933 1.00 0.00 C ATOM 637 C THR A 49 -10.761 2.334 10.680 1.00 0.00 C ATOM 638 O THR A 49 -10.651 3.454 11.183 1.00 0.00 O ATOM 639 CB THR A 49 -9.378 0.299 10.511 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.700 0.410 11.745 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.596 -0.570 9.558 1.00 0.00 C ATOM 0 H THR A 49 -7.654 2.138 10.598 1.00 0.00 H new ATOM 0 HA THR A 49 -9.838 1.608 8.873 1.00 0.00 H new ATOM 0 HB THR A 49 -10.348 -0.173 10.668 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.733 0.393 11.589 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.455 -1.557 9.998 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.143 -0.666 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.624 -0.116 9.366 1.00 0.00 H new ATOM 649 N ARG A 50 -11.864 1.616 10.764 1.00 0.00 N ATOM 650 CA ARG A 50 -13.006 2.063 11.536 1.00 0.00 C ATOM 651 C ARG A 50 -12.707 1.981 13.022 1.00 0.00 C ATOM 652 O ARG A 50 -12.579 2.994 13.713 1.00 0.00 O ATOM 653 CB ARG A 50 -14.200 1.182 11.230 1.00 0.00 C ATOM 654 CG ARG A 50 -15.262 1.871 10.418 1.00 0.00 C ATOM 655 CD ARG A 50 -16.625 1.492 10.935 1.00 0.00 C ATOM 656 NE ARG A 50 -17.695 2.144 10.188 1.00 0.00 N ATOM 657 CZ ARG A 50 -18.922 1.646 10.043 1.00 0.00 C ATOM 658 NH1 ARG A 50 -19.278 0.533 10.677 1.00 0.00 N ATOM 659 NH2 ARG A 50 -19.798 2.274 9.269 1.00 0.00 N ATOM 0 H ARG A 50 -11.993 0.715 10.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.222 3.097 11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.860 0.297 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.637 0.837 12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.130 2.952 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.170 1.590 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.748 0.411 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.701 1.763 11.988 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.490 3.041 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.610 0.054 11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.220 0.159 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.530 3.133 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.739 1.897 9.154 1.00 0.00 H new ATOM 673 N LYS A 51 -12.583 0.754 13.491 1.00 0.00 N ATOM 674 CA LYS A 51 -12.430 0.463 14.903 1.00 0.00 C ATOM 675 C LYS A 51 -11.063 -0.149 15.201 1.00 0.00 C ATOM 676 O LYS A 51 -10.611 -0.178 16.344 1.00 0.00 O ATOM 677 CB LYS A 51 -13.550 -0.465 15.318 1.00 0.00 C ATOM 678 CG LYS A 51 -14.924 0.140 15.092 1.00 0.00 C ATOM 679 CD LYS A 51 -15.274 1.109 16.197 1.00 0.00 C ATOM 680 CE LYS A 51 -14.938 2.535 15.832 1.00 0.00 C ATOM 681 NZ LYS A 51 -15.404 3.485 16.868 1.00 0.00 N ATOM 0 H LYS A 51 -12.586 -0.075 12.897 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.486 1.388 15.477 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.471 -1.397 14.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.437 -0.716 16.373 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.946 0.654 14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.672 -0.652 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.338 1.034 16.420 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.738 0.832 17.105 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.860 2.635 15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.397 2.785 14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.157 4.455 16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.436 3.407 16.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.947 3.261 17.775 1.00 0.00 H new ATOM 695 N ARG A 52 -10.410 -0.625 14.153 1.00 0.00 N ATOM 696 CA ARG A 52 -9.139 -1.335 14.268 1.00 0.00 C ATOM 697 C ARG A 52 -7.958 -0.358 14.424 1.00 0.00 C ATOM 698 O ARG A 52 -6.813 -0.772 14.621 1.00 0.00 O ATOM 699 CB ARG A 52 -8.973 -2.220 13.022 1.00 0.00 C ATOM 700 CG ARG A 52 -7.636 -2.928 12.904 1.00 0.00 C ATOM 701 CD ARG A 52 -7.470 -3.995 13.969 1.00 0.00 C ATOM 702 NE ARG A 52 -8.027 -5.277 13.538 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.811 -6.430 14.162 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.173 -6.454 15.326 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.273 -7.556 13.632 1.00 0.00 N ATOM 0 H ARG A 52 -10.745 -0.531 13.194 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.144 -1.955 15.165 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.764 -2.970 13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.118 -1.602 12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.551 -3.383 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.830 -2.200 12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.412 -4.117 14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.963 -3.674 14.887 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.618 -5.286 12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.846 -5.584 15.746 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.010 -7.342 15.800 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.789 -7.532 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.112 -8.446 14.104 1.00 0.00 H new ATOM 719 N ASP A 53 -8.264 0.942 14.345 1.00 0.00 N ATOM 720 CA ASP A 53 -7.271 2.007 14.446 1.00 0.00 C ATOM 721 C ASP A 53 -6.317 2.017 13.249 1.00 0.00 C ATOM 722 O ASP A 53 -6.347 1.128 12.403 1.00 0.00 O ATOM 723 CB ASP A 53 -6.554 1.889 15.789 1.00 0.00 C ATOM 724 CG ASP A 53 -5.232 2.614 15.879 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.238 3.863 15.877 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.183 1.941 15.948 1.00 0.00 O ATOM 0 H ASP A 53 -9.216 1.283 14.208 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.770 2.975 14.412 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.213 2.270 16.569 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.386 0.833 16.001 1.00 0.00 H new ATOM 731 N SER A 54 -5.526 3.070 13.159 1.00 0.00 N ATOM 732 CA SER A 54 -4.573 3.250 12.070 1.00 0.00 C ATOM 733 C SER A 54 -3.618 2.073 11.977 1.00 0.00 C ATOM 734 O SER A 54 -2.635 1.982 12.705 1.00 0.00 O ATOM 735 CB SER A 54 -3.804 4.557 12.229 1.00 0.00 C ATOM 736 OG SER A 54 -3.490 4.814 13.587 1.00 0.00 O ATOM 0 H SER A 54 -5.523 3.830 13.840 1.00 0.00 H new ATOM 0 HA SER A 54 -5.138 3.299 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.885 4.513 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.397 5.380 11.830 1.00 0.00 H new ATOM 0 HG SER A 54 -2.996 5.658 13.655 1.00 0.00 H new ATOM 742 N VAL A 55 -3.948 1.182 11.071 1.00 0.00 N ATOM 743 CA VAL A 55 -3.107 0.056 10.722 1.00 0.00 C ATOM 744 C VAL A 55 -2.007 0.561 9.813 1.00 0.00 C ATOM 745 O VAL A 55 -2.130 1.644 9.254 1.00 0.00 O ATOM 746 CB VAL A 55 -3.897 -1.014 9.975 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.148 -2.305 9.938 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.247 -1.245 10.597 1.00 0.00 C ATOM 0 H VAL A 55 -4.822 1.218 10.546 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.707 -0.385 11.635 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.038 -0.647 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.734 -3.050 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.194 -2.158 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.968 -2.651 10.956 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.779 -2.014 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.121 -1.570 11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.821 -0.318 10.576 1.00 0.00 H new ATOM 758 N LYS A 56 -0.932 -0.181 9.658 1.00 0.00 N ATOM 759 CA LYS A 56 0.185 0.332 8.862 1.00 0.00 C ATOM 760 C LYS A 56 0.740 -0.742 7.929 1.00 0.00 C ATOM 761 O LYS A 56 0.890 -1.898 8.330 1.00 0.00 O ATOM 762 CB LYS A 56 1.364 0.835 9.706 1.00 0.00 C ATOM 763 CG LYS A 56 1.095 1.331 11.123 1.00 0.00 C ATOM 764 CD LYS A 56 -0.028 2.334 11.279 1.00 0.00 C ATOM 765 CE LYS A 56 0.521 3.648 11.788 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.488 4.451 12.527 1.00 0.00 N ATOM 0 H LYS A 56 -0.799 -1.112 10.054 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.240 1.168 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.091 0.026 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.840 1.647 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.873 0.468 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.011 1.779 11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.528 2.485 10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.776 1.950 11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.371 3.452 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.895 4.230 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.795 5.250 11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.308 3.853 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.067 4.812 13.407 1.00 0.00 H new ATOM 780 N TRP A 57 1.066 -0.362 6.695 1.00 0.00 N ATOM 781 CA TRP A 57 1.744 -1.274 5.781 1.00 0.00 C ATOM 782 C TRP A 57 3.062 -0.739 5.289 1.00 0.00 C ATOM 783 O TRP A 57 3.117 0.117 4.412 1.00 0.00 O ATOM 784 CB TRP A 57 0.866 -1.679 4.611 1.00 0.00 C ATOM 785 CG TRP A 57 0.013 -2.820 5.014 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.312 -4.142 4.899 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.246 -2.742 5.654 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.709 -4.898 5.417 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.680 -4.056 5.887 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.055 -1.682 6.042 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.889 -4.332 6.498 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.252 -1.960 6.643 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.659 -3.270 6.867 1.00 0.00 C ATOM 0 H TRP A 57 0.873 0.562 6.309 1.00 0.00 H new ATOM 0 HA TRP A 57 1.954 -2.167 6.370 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.246 -0.839 4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.483 -1.955 3.756 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.218 -4.538 4.465 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.739 -5.917 5.447 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.746 -0.661 5.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.210 -5.348 6.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.893 -1.146 6.949 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.610 -3.451 7.346 1.00 0.00 H new ATOM 804 N HIS A 58 4.134 -1.259 5.858 1.00 0.00 N ATOM 805 CA HIS A 58 5.455 -0.880 5.422 1.00 0.00 C ATOM 806 C HIS A 58 5.719 -1.447 4.023 1.00 0.00 C ATOM 807 O HIS A 58 5.380 -2.587 3.717 1.00 0.00 O ATOM 808 CB HIS A 58 6.526 -1.341 6.413 1.00 0.00 C ATOM 809 CG HIS A 58 7.855 -0.719 6.130 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.734 -1.239 5.215 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.407 0.432 6.568 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.763 -0.429 5.078 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.594 0.591 5.895 1.00 0.00 N ATOM 0 H HIS A 58 4.112 -1.940 6.617 1.00 0.00 H new ATOM 0 HA HIS A 58 5.506 0.208 5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.215 -1.087 7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.617 -2.426 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.994 1.102 7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.600 -0.575 4.412 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.240 1.372 6.009 1.00 0.00 H new ATOM 822 N TYR A 59 6.325 -0.614 3.193 1.00 0.00 N ATOM 823 CA TYR A 59 6.545 -0.880 1.774 1.00 0.00 C ATOM 824 C TYR A 59 7.377 -2.131 1.527 1.00 0.00 C ATOM 825 O TYR A 59 7.252 -2.774 0.490 1.00 0.00 O ATOM 826 CB TYR A 59 7.245 0.326 1.166 1.00 0.00 C ATOM 827 CG TYR A 59 6.316 1.416 0.736 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.217 1.734 1.498 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.526 2.101 -0.438 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.343 2.719 1.113 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.669 3.094 -0.838 1.00 0.00 C ATOM 832 CZ TYR A 59 4.581 3.404 -0.061 1.00 0.00 C ATOM 833 OH TYR A 59 3.740 4.404 -0.463 1.00 0.00 O ATOM 0 H TYR A 59 6.689 0.291 3.492 1.00 0.00 H new ATOM 0 HA TYR A 59 5.574 -1.054 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.950 0.729 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.828 -0.001 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.038 1.198 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.378 1.853 -1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.481 2.955 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.849 3.629 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 59 3.909 5.208 0.071 1.00 0.00 H new ATOM 843 N LEU A 60 8.206 -2.477 2.496 1.00 0.00 N ATOM 844 CA LEU A 60 9.059 -3.659 2.415 1.00 0.00 C ATOM 845 C LEU A 60 8.255 -4.904 2.728 1.00 0.00 C ATOM 846 O LEU A 60 8.803 -5.948 3.081 1.00 0.00 O ATOM 847 CB LEU A 60 10.249 -3.540 3.365 1.00 0.00 C ATOM 848 CG LEU A 60 11.572 -3.174 2.703 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.095 -4.321 1.849 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.391 -1.939 1.869 1.00 0.00 C ATOM 0 H LEU A 60 8.310 -1.949 3.363 1.00 0.00 H new ATOM 0 HA LEU A 60 9.445 -3.734 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.018 -2.788 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.373 -4.488 3.888 1.00 0.00 H new ATOM 0 HG LEU A 60 12.309 -2.979 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.040 -4.031 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.251 -5.199 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.369 -4.555 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.337 -1.678 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.641 -2.125 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.063 -1.116 2.504 1.00 0.00 H new ATOM 862 N CYS A 61 6.950 -4.763 2.656 1.00 0.00 N ATOM 863 CA CYS A 61 6.059 -5.863 2.905 1.00 0.00 C ATOM 864 C CYS A 61 5.035 -5.989 1.781 1.00 0.00 C ATOM 865 O CYS A 61 4.469 -7.060 1.575 1.00 0.00 O ATOM 866 CB CYS A 61 5.364 -5.680 4.250 1.00 0.00 C ATOM 867 SG CYS A 61 4.656 -7.199 4.922 1.00 0.00 S ATOM 0 H CYS A 61 6.483 -3.886 2.424 1.00 0.00 H new ATOM 0 HA CYS A 61 6.641 -6.784 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.080 -5.277 4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.572 -4.939 4.141 1.00 0.00 H new ATOM 0 HG CYS A 61 5.513 -8.169 4.799 1.00 0.00 H new ATOM 873 N LEU A 62 4.811 -4.892 1.054 1.00 0.00 N ATOM 874 CA LEU A 62 3.849 -4.863 -0.044 1.00 0.00 C ATOM 875 C LEU A 62 4.309 -5.724 -1.218 1.00 0.00 C ATOM 876 O LEU A 62 4.832 -5.199 -2.192 1.00 0.00 O ATOM 877 CB LEU A 62 3.684 -3.437 -0.571 1.00 0.00 C ATOM 878 CG LEU A 62 2.854 -2.435 0.244 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.806 -1.808 -0.648 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.181 -3.063 1.448 1.00 0.00 C ATOM 0 H LEU A 62 5.290 -4.005 1.210 1.00 0.00 H new ATOM 0 HA LEU A 62 2.910 -5.247 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.681 -3.014 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.239 -3.502 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 62 3.544 -1.680 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.216 -1.096 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.294 -1.290 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.152 -2.585 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.610 -2.304 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.510 -3.856 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.938 -3.481 2.111 1.00 0.00 H new ATOM 892 N ARG A 63 4.091 -7.029 -1.145 1.00 0.00 N ATOM 893 CA ARG A 63 4.442 -7.920 -2.241 1.00 0.00 C ATOM 894 C ARG A 63 3.731 -7.501 -3.518 1.00 0.00 C ATOM 895 O ARG A 63 4.390 -7.193 -4.503 1.00 0.00 O ATOM 896 CB ARG A 63 4.123 -9.380 -1.912 1.00 0.00 C ATOM 897 CG ARG A 63 5.125 -10.024 -0.969 1.00 0.00 C ATOM 898 CD ARG A 63 4.814 -11.495 -0.750 1.00 0.00 C ATOM 899 NE ARG A 63 5.814 -12.145 0.097 1.00 0.00 N ATOM 900 CZ ARG A 63 5.523 -13.014 1.061 1.00 0.00 C ATOM 901 NH1 ARG A 63 4.266 -13.381 1.263 1.00 0.00 N ATOM 902 NH2 ARG A 63 6.490 -13.532 1.803 1.00 0.00 N ATOM 0 H ARG A 63 3.673 -7.494 -0.339 1.00 0.00 H new ATOM 0 HA ARG A 63 5.519 -7.842 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.130 -9.435 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.088 -9.953 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.130 -9.920 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.114 -9.502 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.830 -11.593 -0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.768 -12.003 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 63 6.796 -11.918 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.523 -12.997 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.042 -14.047 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.460 -13.265 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.265 -14.198 2.542 1.00 0.00 H new ATOM 916 N ARG A 64 2.399 -7.457 -3.505 1.00 0.00 N ATOM 917 CA ARG A 64 1.678 -7.054 -4.710 1.00 0.00 C ATOM 918 C ARG A 64 0.523 -6.108 -4.431 1.00 0.00 C ATOM 919 O ARG A 64 -0.437 -6.452 -3.772 1.00 0.00 O ATOM 920 CB ARG A 64 1.211 -8.269 -5.500 1.00 0.00 C ATOM 921 CG ARG A 64 0.162 -9.148 -4.882 1.00 0.00 C ATOM 922 CD ARG A 64 -0.111 -10.292 -5.839 1.00 0.00 C ATOM 923 NE ARG A 64 0.226 -11.579 -5.246 1.00 0.00 N ATOM 924 CZ ARG A 64 1.095 -12.444 -5.769 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.686 -12.199 -6.935 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.376 -13.559 -5.113 1.00 0.00 N ATOM 0 H ARG A 64 1.814 -7.687 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 64 2.390 -6.495 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.831 -7.918 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.084 -8.887 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.503 -9.529 -3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.750 -8.581 -4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.163 -10.286 -6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.467 -10.149 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.234 -11.835 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.477 -11.339 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.349 -12.871 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.929 -13.750 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.040 -14.228 -5.504 1.00 0.00 H new ATOM 940 N TYR A 65 0.599 -4.939 -5.027 1.00 0.00 N ATOM 941 CA TYR A 65 -0.307 -3.846 -4.726 1.00 0.00 C ATOM 942 C TYR A 65 -0.971 -3.348 -5.985 1.00 0.00 C ATOM 943 O TYR A 65 -0.354 -3.316 -7.040 1.00 0.00 O ATOM 944 CB TYR A 65 0.448 -2.724 -4.015 1.00 0.00 C ATOM 945 CG TYR A 65 1.733 -2.318 -4.698 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.826 -3.170 -4.735 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.858 -1.079 -5.294 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.993 -2.798 -5.356 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.014 -0.701 -5.905 1.00 0.00 C ATOM 950 CZ TYR A 65 4.084 -1.560 -5.943 1.00 0.00 C ATOM 951 OH TYR A 65 5.248 -1.180 -6.570 1.00 0.00 O ATOM 0 H TYR A 65 1.294 -4.716 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.091 -4.206 -4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.203 -1.853 -3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.674 -3.041 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.759 -4.142 -4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.022 -0.396 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.834 -3.475 -5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.089 0.275 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 65 5.802 -0.665 -5.947 1.00 0.00 H new ATOM 961 N GLY A 66 -2.231 -2.971 -5.874 1.00 0.00 N ATOM 962 CA GLY A 66 -3.012 -2.751 -7.059 1.00 0.00 C ATOM 963 C GLY A 66 -4.092 -1.724 -6.922 1.00 0.00 C ATOM 964 O GLY A 66 -4.174 -0.982 -5.944 1.00 0.00 O ATOM 0 H GLY A 66 -2.720 -2.816 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.344 -2.449 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.466 -3.696 -7.358 1.00 0.00 H new ATOM 968 N TYR A 67 -4.964 -1.782 -7.900 1.00 0.00 N ATOM 969 CA TYR A 67 -6.022 -0.822 -8.109 1.00 0.00 C ATOM 970 C TYR A 67 -7.033 -1.418 -9.083 1.00 0.00 C ATOM 971 O TYR A 67 -6.651 -1.889 -10.152 1.00 0.00 O ATOM 972 CB TYR A 67 -5.443 0.462 -8.709 1.00 0.00 C ATOM 973 CG TYR A 67 -6.368 1.122 -9.708 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.600 1.589 -9.303 1.00 0.00 C ATOM 975 CD2 TYR A 67 -6.015 1.275 -11.042 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.465 2.190 -10.181 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.879 1.878 -11.939 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.105 2.335 -11.501 1.00 0.00 C ATOM 979 OH TYR A 67 -8.971 2.942 -12.383 1.00 0.00 O ATOM 0 H TYR A 67 -4.956 -2.526 -8.598 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.503 -0.589 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.225 1.165 -7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.496 0.233 -9.197 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.891 1.479 -8.269 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.054 0.919 -11.384 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.424 2.548 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.596 1.990 -12.975 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.181 3.845 -12.066 1.00 0.00 H new ATOM 989 N ASP A 68 -8.302 -1.432 -8.712 1.00 0.00 N ATOM 990 CA ASP A 68 -9.341 -1.734 -9.668 1.00 0.00 C ATOM 991 C ASP A 68 -10.672 -1.139 -9.266 1.00 0.00 C ATOM 992 O ASP A 68 -11.239 -1.551 -8.277 1.00 0.00 O ATOM 993 CB ASP A 68 -9.512 -3.219 -9.854 1.00 0.00 C ATOM 994 CG ASP A 68 -10.452 -3.513 -11.019 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.688 -3.386 -10.876 1.00 0.00 O ATOM 996 OD2 ASP A 68 -9.952 -3.836 -12.116 1.00 0.00 O ATOM 0 H ASP A 68 -8.630 -1.240 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.021 -1.286 -10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.542 -3.681 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.908 -3.662 -8.940 1.00 0.00 H new ATOM 1001 N SER A 69 -11.160 -0.173 -10.037 1.00 0.00 N ATOM 1002 CA SER A 69 -12.500 0.374 -9.841 1.00 0.00 C ATOM 1003 C SER A 69 -12.776 0.655 -8.362 1.00 0.00 C ATOM 1004 O SER A 69 -13.519 -0.087 -7.714 1.00 0.00 O ATOM 1005 CB SER A 69 -13.528 -0.612 -10.391 1.00 0.00 C ATOM 1006 OG SER A 69 -13.082 -1.170 -11.618 1.00 0.00 O ATOM 0 H SER A 69 -10.644 0.250 -10.809 1.00 0.00 H new ATOM 0 HA SER A 69 -12.572 1.321 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.701 -1.407 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.481 -0.105 -10.541 1.00 0.00 H new ATOM 0 HG SER A 69 -12.460 -1.905 -11.436 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.162 1.726 -7.856 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.167 2.081 -6.428 1.00 0.00 C ATOM 1014 C ASN A 70 -11.811 0.903 -5.508 1.00 0.00 C ATOM 1015 O ASN A 70 -12.297 0.819 -4.393 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.473 2.743 -5.964 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.732 1.925 -6.169 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.081 1.066 -5.359 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.448 2.223 -7.234 1.00 0.00 N ATOM 0 H ASN A 70 -11.638 2.384 -8.433 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.375 2.824 -6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.383 2.978 -4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.587 3.690 -6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.326 1.735 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.124 2.941 -7.882 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.946 0.011 -5.965 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.396 -1.040 -5.108 1.00 0.00 C ATOM 1028 C LEU A 71 -8.855 -0.934 -5.142 1.00 0.00 C ATOM 1029 O LEU A 71 -8.259 -1.186 -6.175 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.831 -2.432 -5.646 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.650 -3.362 -4.715 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.276 -4.839 -4.852 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.529 -2.961 -3.265 1.00 0.00 C ATOM 0 H LEU A 71 -10.606 -0.010 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.762 -0.924 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.417 -2.269 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.930 -2.969 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.683 -3.241 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.887 -5.434 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.451 -5.165 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.223 -4.972 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.119 -3.640 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.484 -3.010 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.897 -1.943 -3.137 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.201 -0.554 -4.045 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.729 -0.555 -4.006 1.00 0.00 C ATOM 1047 C PHE A 72 -6.269 -1.695 -3.120 1.00 0.00 C ATOM 1048 O PHE A 72 -6.855 -1.943 -2.075 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.132 0.795 -3.529 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.094 0.699 -2.444 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.475 0.699 -1.123 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.731 0.624 -2.737 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.529 0.628 -0.133 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.803 0.559 -1.748 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.196 0.563 -0.458 1.00 0.00 C ATOM 0 H PHE A 72 -8.652 -0.246 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.363 -0.694 -5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.689 1.299 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.946 1.427 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.522 0.755 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.409 0.618 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.832 0.623 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.753 0.504 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.456 0.515 0.327 1.00 0.00 H new ATOM 1065 N SER A 73 -5.242 -2.396 -3.535 1.00 0.00 N ATOM 1066 CA SER A 73 -4.821 -3.571 -2.811 1.00 0.00 C ATOM 1067 C SER A 73 -3.312 -3.606 -2.610 1.00 0.00 C ATOM 1068 O SER A 73 -2.583 -2.823 -3.212 1.00 0.00 O ATOM 1069 CB SER A 73 -5.281 -4.810 -3.559 1.00 0.00 C ATOM 1070 OG SER A 73 -4.868 -5.999 -2.911 1.00 0.00 O ATOM 0 H SER A 73 -4.687 -2.177 -4.362 1.00 0.00 H new ATOM 0 HA SER A 73 -5.276 -3.543 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.368 -4.801 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.882 -4.791 -4.573 1.00 0.00 H new ATOM 0 HG SER A 73 -5.012 -5.912 -1.946 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.873 -4.499 -1.730 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.469 -4.834 -1.570 1.00 0.00 C ATOM 1078 C PHE A 74 -1.337 -6.187 -0.861 1.00 0.00 C ATOM 1079 O PHE A 74 -2.090 -6.489 0.064 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.709 -3.731 -0.832 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.342 -3.227 0.427 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.598 -4.087 1.474 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.647 -1.879 0.576 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.153 -3.630 2.639 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.196 -1.420 1.754 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.449 -2.295 2.780 1.00 0.00 C ATOM 0 H PHE A 74 -3.491 -5.014 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.015 -4.916 -2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.287 -4.102 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.579 -2.889 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.357 -5.135 1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.453 -1.190 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.358 -4.317 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.427 -0.371 1.869 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.882 -1.934 3.701 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.437 -7.034 -1.345 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.173 -8.296 -0.690 1.00 0.00 C ATOM 1098 C GLU A 75 0.933 -8.128 0.321 1.00 0.00 C ATOM 1099 O GLU A 75 2.094 -8.101 -0.050 1.00 0.00 O ATOM 1100 CB GLU A 75 0.225 -9.405 -1.655 1.00 0.00 C ATOM 1101 CG GLU A 75 0.330 -10.751 -0.947 1.00 0.00 C ATOM 1102 CD GLU A 75 0.766 -11.886 -1.842 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.017 -12.296 -2.722 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.875 -12.412 -1.628 1.00 0.00 O ATOM 0 H GLU A 75 0.117 -6.866 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.107 -8.590 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.510 -9.471 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.181 -9.160 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.037 -10.661 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.639 -10.997 -0.512 1.00 0.00 H new ATOM 1111 N SER A 76 0.600 -8.022 1.581 1.00 0.00 N ATOM 1112 CA SER A 76 1.625 -7.860 2.581 1.00 0.00 C ATOM 1113 C SER A 76 2.213 -9.231 2.919 1.00 0.00 C ATOM 1114 O SER A 76 1.488 -10.171 3.258 1.00 0.00 O ATOM 1115 CB SER A 76 1.046 -7.145 3.799 1.00 0.00 C ATOM 1116 OG SER A 76 0.034 -7.920 4.425 1.00 0.00 O ATOM 0 H SER A 76 -0.356 -8.044 1.936 1.00 0.00 H new ATOM 0 HA SER A 76 2.438 -7.238 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.843 -6.939 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.633 -6.183 3.495 1.00 0.00 H new ATOM 0 HG SER A 76 0.075 -7.789 5.395 1.00 0.00 H new ATOM 1122 N GLY A 77 3.531 -9.333 2.802 1.00 0.00 N ATOM 1123 CA GLY A 77 4.201 -10.619 2.867 1.00 0.00 C ATOM 1124 C GLY A 77 4.289 -11.188 4.262 1.00 0.00 C ATOM 1125 O GLY A 77 4.347 -12.402 4.440 1.00 0.00 O ATOM 0 H GLY A 77 4.155 -8.538 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.672 -11.327 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.208 -10.515 2.463 1.00 0.00 H new ATOM 1129 N ARG A 78 4.334 -10.318 5.244 1.00 0.00 N ATOM 1130 CA ARG A 78 4.363 -10.742 6.629 1.00 0.00 C ATOM 1131 C ARG A 78 3.040 -10.396 7.273 1.00 0.00 C ATOM 1132 O ARG A 78 2.334 -9.504 6.795 1.00 0.00 O ATOM 1133 CB ARG A 78 5.511 -10.064 7.375 1.00 0.00 C ATOM 1134 CG ARG A 78 6.880 -10.514 6.906 1.00 0.00 C ATOM 1135 CD ARG A 78 7.992 -9.701 7.545 1.00 0.00 C ATOM 1136 NE ARG A 78 7.968 -8.299 7.124 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.009 -7.656 6.599 1.00 0.00 C ATOM 1138 NH1 ARG A 78 10.143 -8.301 6.341 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.915 -6.367 6.327 1.00 0.00 N ATOM 0 H ARG A 78 4.351 -9.307 5.111 1.00 0.00 H new ATOM 0 HA ARG A 78 4.524 -11.819 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.429 -8.984 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.414 -10.270 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.017 -11.568 7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.941 -10.423 5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.900 -9.754 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.955 -10.140 7.285 1.00 0.00 H new ATOM 0 HE ARG A 78 7.097 -7.781 7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.221 -9.297 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.935 -7.799 5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.047 -5.867 6.519 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.711 -5.871 5.925 1.00 0.00 H new ATOM 1153 N ARG A 79 2.698 -11.103 8.339 1.00 0.00 N ATOM 1154 CA ARG A 79 1.448 -10.847 9.027 1.00 0.00 C ATOM 1155 C ARG A 79 1.379 -9.412 9.483 1.00 0.00 C ATOM 1156 O ARG A 79 2.378 -8.808 9.886 1.00 0.00 O ATOM 1157 CB ARG A 79 1.256 -11.754 10.220 1.00 0.00 C ATOM 1158 CG ARG A 79 1.266 -13.220 9.859 1.00 0.00 C ATOM 1159 CD ARG A 79 1.276 -14.079 11.101 1.00 0.00 C ATOM 1160 NE ARG A 79 0.031 -13.966 11.857 1.00 0.00 N ATOM 1161 CZ ARG A 79 -0.114 -14.348 13.122 1.00 0.00 C ATOM 1162 NH1 ARG A 79 0.924 -14.800 13.813 1.00 0.00 N ATOM 1163 NH2 ARG A 79 -1.306 -14.267 13.698 1.00 0.00 N ATOM 0 H ARG A 79 3.264 -11.850 8.741 1.00 0.00 H new ATOM 0 HA ARG A 79 0.650 -11.050 8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.045 -11.560 10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.310 -11.512 10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.390 -13.456 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.142 -13.443 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.436 -15.120 10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.113 -13.788 11.736 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.780 -13.568 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.843 -14.857 13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.803 -15.091 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.104 -13.913 13.171 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.424 -14.558 14.668 1.00 0.00 H new ATOM 1177 N CYS A 80 0.191 -8.896 9.429 1.00 0.00 N ATOM 1178 CA CYS A 80 -0.070 -7.509 9.749 1.00 0.00 C ATOM 1179 C CYS A 80 -1.290 -7.424 10.648 1.00 0.00 C ATOM 1180 O CYS A 80 -1.992 -8.419 10.820 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.287 -6.704 8.468 1.00 0.00 C ATOM 1182 SG CYS A 80 1.146 -6.695 7.364 1.00 0.00 S ATOM 0 H CYS A 80 -0.640 -9.423 9.160 1.00 0.00 H new ATOM 0 HA CYS A 80 0.788 -7.088 10.273 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.144 -7.113 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.537 -5.677 8.733 1.00 0.00 H new ATOM 0 HG CYS A 80 1.568 -7.912 7.191 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.523 -6.255 11.227 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.701 -6.004 12.058 1.00 0.00 C ATOM 1190 C GLN A 81 -3.953 -6.661 11.496 1.00 0.00 C ATOM 1191 O GLN A 81 -4.631 -7.431 12.178 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.950 -4.514 12.147 1.00 0.00 C ATOM 1193 CG GLN A 81 -4.130 -4.173 13.011 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.859 -4.385 14.485 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -3.404 -3.484 15.182 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -4.138 -5.585 14.966 1.00 0.00 N ATOM 0 H GLN A 81 -0.903 -5.450 11.136 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.497 -6.430 13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.061 -4.025 12.544 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.112 -4.117 11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.408 -3.133 12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.982 -4.783 12.712 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.515 -6.306 14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.976 -5.790 15.952 1.00 0.00 H new ATOM 1205 N THR A 82 -4.252 -6.349 10.250 1.00 0.00 N ATOM 1206 CA THR A 82 -5.463 -6.826 9.625 1.00 0.00 C ATOM 1207 C THR A 82 -5.189 -7.258 8.176 1.00 0.00 C ATOM 1208 O THR A 82 -6.102 -7.377 7.362 1.00 0.00 O ATOM 1209 CB THR A 82 -6.567 -5.737 9.699 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.727 -6.112 8.944 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.044 -4.399 9.205 1.00 0.00 C ATOM 0 H THR A 82 -3.668 -5.765 9.651 1.00 0.00 H new ATOM 0 HA THR A 82 -5.820 -7.703 10.165 1.00 0.00 H new ATOM 0 HB THR A 82 -6.854 -5.641 10.746 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.451 -6.449 8.066 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.837 -3.653 9.267 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.202 -4.087 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.717 -4.496 8.170 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.918 -7.537 7.887 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.481 -7.748 6.513 1.00 0.00 C ATOM 1221 C GLY A 83 -3.895 -9.077 5.912 1.00 0.00 C ATOM 1222 O GLY A 83 -4.514 -9.096 4.849 1.00 0.00 O ATOM 0 H GLY A 83 -3.178 -7.621 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.879 -6.945 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.394 -7.671 6.476 1.00 0.00 H new ATOM 1226 N GLN A 84 -3.525 -10.180 6.573 1.00 0.00 N ATOM 1227 CA GLN A 84 -3.764 -11.548 6.067 1.00 0.00 C ATOM 1228 C GLN A 84 -2.778 -11.893 4.949 1.00 0.00 C ATOM 1229 O GLN A 84 -2.225 -12.989 4.899 1.00 0.00 O ATOM 1230 CB GLN A 84 -5.195 -11.731 5.541 1.00 0.00 C ATOM 1231 CG GLN A 84 -6.288 -11.333 6.518 1.00 0.00 C ATOM 1232 CD GLN A 84 -7.652 -11.333 5.863 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -8.362 -12.335 5.878 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -8.014 -10.215 5.254 1.00 0.00 N ATOM 0 H GLN A 84 -3.050 -10.155 7.476 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.618 -12.220 6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.310 -11.144 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.335 -12.776 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.290 -12.022 7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.076 -10.341 6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.395 -9.405 5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.912 -10.164 4.774 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.566 -10.940 4.062 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.733 -11.149 2.899 1.00 0.00 C ATOM 1245 C GLY A 85 -2.164 -10.224 1.792 1.00 0.00 C ATOM 1246 O GLY A 85 -1.867 -9.033 1.830 1.00 0.00 O ATOM 0 H GLY A 85 -2.965 -10.004 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.688 -10.968 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.806 -12.185 2.569 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.889 -10.752 0.819 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.536 -9.907 -0.165 1.00 0.00 C ATOM 1252 C ILE A 86 -4.697 -9.186 0.498 1.00 0.00 C ATOM 1253 O ILE A 86 -5.769 -9.758 0.725 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.021 -10.692 -1.399 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.821 -11.032 -2.279 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.033 -9.890 -2.177 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.982 -10.732 -3.756 1.00 0.00 C ATOM 0 H ILE A 86 -3.042 -11.752 0.692 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.801 -9.190 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.504 -11.612 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.955 -10.484 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.599 -12.093 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.362 -10.463 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.890 -9.670 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.579 -8.956 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.071 -11.012 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.822 -11.301 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.168 -9.667 -3.893 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.451 -7.946 0.861 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.447 -7.137 1.519 1.00 0.00 C ATOM 1271 C PHE A 87 -5.813 -5.981 0.611 1.00 0.00 C ATOM 1272 O PHE A 87 -4.940 -5.283 0.090 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.903 -6.641 2.862 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.939 -6.141 3.838 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.274 -6.515 3.747 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.559 -5.298 4.866 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.200 -6.050 4.665 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.479 -4.837 5.784 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.796 -5.208 5.686 1.00 0.00 C ATOM 0 H PHE A 87 -3.559 -7.475 0.708 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.344 -7.724 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.349 -7.453 3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.191 -5.838 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.592 -7.174 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.526 -4.996 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.236 -6.344 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.162 -4.182 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.516 -4.844 6.404 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.094 -5.810 0.382 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.554 -4.789 -0.524 1.00 0.00 C ATOM 1291 C ALA A 88 -8.563 -3.879 0.164 1.00 0.00 C ATOM 1292 O ALA A 88 -9.336 -4.304 1.029 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.135 -5.423 -1.769 1.00 0.00 C ATOM 0 H ALA A 88 -7.834 -6.365 0.811 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.707 -4.172 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.480 -4.643 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.370 -6.022 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.974 -6.062 -1.494 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.533 -2.619 -0.202 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.446 -1.646 0.345 1.00 0.00 C ATOM 1301 C PHE A 89 -10.123 -0.955 -0.791 1.00 0.00 C ATOM 1302 O PHE A 89 -9.487 -0.590 -1.774 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.741 -0.608 1.204 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.665 -1.191 2.028 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.435 -1.346 1.475 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.875 -1.590 3.330 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.411 -1.895 2.187 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.853 -2.142 4.061 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.614 -2.299 3.488 1.00 0.00 C ATOM 0 H PHE A 89 -7.877 -2.241 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.159 -2.168 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.323 0.167 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.470 -0.124 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.266 -1.030 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.850 -1.468 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.439 -2.013 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.022 -2.452 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.805 -2.736 4.054 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.396 -0.774 -0.658 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.164 -0.142 -1.674 1.00 0.00 C ATOM 1321 C LYS A 90 -11.891 1.355 -1.621 1.00 0.00 C ATOM 1322 O LYS A 90 -12.611 2.119 -0.982 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.618 -0.453 -1.447 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.430 -0.613 -2.701 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.653 -1.466 -2.464 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.432 -0.961 -1.282 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.623 -1.808 -1.017 1.00 0.00 N ATOM 0 H LYS A 90 -11.932 -1.062 0.161 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.892 -0.507 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.692 -1.370 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.056 0.344 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.735 0.368 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.815 -1.066 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.285 -1.459 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.354 -2.500 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.791 -0.946 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.747 0.066 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.293 -1.286 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.082 -2.052 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.328 -2.679 -0.531 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.816 1.743 -2.272 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.357 3.119 -2.257 1.00 0.00 C ATOM 1343 C CYS A 91 -10.794 3.793 -3.538 1.00 0.00 C ATOM 1344 O CYS A 91 -10.411 3.360 -4.613 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.831 3.192 -2.161 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.188 4.881 -2.196 1.00 0.00 S ATOM 0 H CYS A 91 -10.234 1.115 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.785 3.617 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.509 2.708 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.395 2.628 -2.986 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.786 5.592 -1.287 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.595 4.837 -3.444 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.021 5.539 -4.641 1.00 0.00 C ATOM 1354 C ALA A 92 -10.828 6.121 -5.384 1.00 0.00 C ATOM 1355 O ALA A 92 -10.774 6.088 -6.609 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.035 6.607 -4.327 1.00 0.00 C ATOM 0 H ALA A 92 -11.959 5.213 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.505 4.811 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.330 7.111 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.911 6.152 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.599 7.332 -3.640 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.854 6.627 -4.637 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.581 7.022 -5.224 1.00 0.00 C ATOM 1364 C ARG A 93 -7.649 5.829 -5.238 1.00 0.00 C ATOM 1365 O ARG A 93 -6.481 5.981 -4.984 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.910 8.172 -4.452 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.029 9.554 -5.100 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.353 9.768 -5.826 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.330 9.240 -7.193 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.411 8.814 -7.848 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -11.617 8.951 -7.312 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.291 8.292 -9.061 1.00 0.00 N ATOM 0 H ARG A 93 -9.921 6.773 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.782 7.375 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.344 8.219 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.853 7.937 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.916 10.319 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.210 9.688 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.154 9.285 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.581 10.833 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.431 9.196 -7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.721 9.384 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.440 8.623 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.371 8.216 -9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.119 7.967 -9.560 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.185 4.636 -5.476 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.368 3.428 -5.583 1.00 0.00 C ATOM 1388 C ALA A 94 -6.261 3.642 -6.573 1.00 0.00 C ATOM 1389 O ALA A 94 -5.099 3.475 -6.264 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.196 2.267 -6.079 1.00 0.00 C ATOM 0 H ALA A 94 -9.185 4.478 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.968 3.212 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.569 1.378 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.013 2.079 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.604 2.505 -7.061 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.674 3.971 -7.781 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.755 4.309 -8.866 1.00 0.00 C ATOM 1398 C GLU A 95 -4.684 5.267 -8.380 1.00 0.00 C ATOM 1399 O GLU A 95 -3.495 4.974 -8.426 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.525 4.936 -10.029 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.768 5.702 -9.604 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.535 6.258 -10.780 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.242 5.483 -11.458 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.446 7.474 -11.028 1.00 0.00 O ATOM 0 H GLU A 95 -7.658 4.014 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.273 3.393 -9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.861 5.611 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.815 4.149 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.418 5.043 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.479 6.520 -8.944 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.151 6.398 -7.896 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.315 7.433 -7.316 1.00 0.00 C ATOM 1413 C GLU A 96 -3.412 6.881 -6.223 1.00 0.00 C ATOM 1414 O GLU A 96 -2.205 7.107 -6.231 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.227 8.486 -6.732 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.609 9.855 -6.684 1.00 0.00 C ATOM 1417 CD GLU A 96 -4.113 10.333 -8.028 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.955 10.593 -8.913 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.889 10.466 -8.201 1.00 0.00 O ATOM 0 H GLU A 96 -6.144 6.631 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.671 7.849 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.143 8.530 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.512 8.189 -5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.343 10.564 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.777 9.846 -5.979 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.016 6.172 -5.284 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.328 5.606 -4.157 1.00 0.00 C ATOM 1428 C LEU A 97 -2.305 4.597 -4.610 1.00 0.00 C ATOM 1429 O LEU A 97 -1.117 4.777 -4.395 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.343 4.946 -3.245 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.931 4.916 -1.797 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.131 4.968 -0.924 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.200 3.643 -1.517 1.00 0.00 C ATOM 0 H LEU A 97 -5.017 5.975 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.806 6.397 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.293 5.474 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.514 3.925 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.292 5.776 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.822 4.946 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.684 5.887 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.770 4.109 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.900 3.618 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.852 2.795 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.314 3.586 -2.149 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.779 3.544 -5.243 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.910 2.523 -5.771 1.00 0.00 C ATOM 1447 C PHE A 98 -0.738 3.171 -6.503 1.00 0.00 C ATOM 1448 O PHE A 98 0.411 2.924 -6.166 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.688 1.593 -6.711 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.793 0.870 -7.652 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.830 0.047 -7.145 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.863 1.068 -9.020 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.067 -0.572 -7.963 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.974 0.429 -9.861 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.001 -0.390 -9.324 1.00 0.00 C ATOM 0 H PHE A 98 -3.772 3.376 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.521 1.925 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.251 0.871 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.414 2.176 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.778 -0.116 -6.079 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.616 1.725 -9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.832 -1.207 -7.541 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.040 0.568 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.709 -0.886 -9.972 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.063 4.023 -7.473 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.073 4.805 -8.226 1.00 0.00 C ATOM 1467 C ASN A 99 0.893 5.483 -7.307 1.00 0.00 C ATOM 1468 O ASN A 99 2.079 5.187 -7.355 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.766 5.866 -9.085 1.00 0.00 C ATOM 1470 CG ASN A 99 0.047 6.255 -10.303 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.857 7.177 -10.256 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.163 5.552 -11.403 1.00 0.00 N ATOM 0 H ASN A 99 -2.026 4.194 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 99 0.471 4.110 -8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.737 5.490 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.952 6.753 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.357 5.768 -12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.845 4.793 -11.401 1.00 0.00 H new ATOM 1479 N MET A 100 0.379 6.360 -6.466 1.00 0.00 N ATOM 1480 CA MET A 100 1.197 7.101 -5.531 1.00 0.00 C ATOM 1481 C MET A 100 2.139 6.140 -4.832 1.00 0.00 C ATOM 1482 O MET A 100 3.350 6.291 -4.896 1.00 0.00 O ATOM 1483 CB MET A 100 0.300 7.794 -4.515 1.00 0.00 C ATOM 1484 CG MET A 100 1.028 8.758 -3.612 1.00 0.00 C ATOM 1485 SD MET A 100 0.235 8.943 -2.021 1.00 0.00 S ATOM 1486 CE MET A 100 -1.426 9.242 -2.550 1.00 0.00 C ATOM 0 H MET A 100 -0.616 6.577 -6.413 1.00 0.00 H new ATOM 0 HA MET A 100 1.780 7.856 -6.058 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.485 8.332 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.190 7.037 -3.902 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.051 8.411 -3.466 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.088 9.731 -4.099 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.078 9.311 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.467 10.177 -3.109 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.758 8.423 -3.188 1.00 0.00 H new ATOM 1496 N LEU A 101 1.556 5.131 -4.213 1.00 0.00 N ATOM 1497 CA LEU A 101 2.299 4.039 -3.595 1.00 0.00 C ATOM 1498 C LEU A 101 3.396 3.493 -4.506 1.00 0.00 C ATOM 1499 O LEU A 101 4.552 3.445 -4.094 1.00 0.00 O ATOM 1500 CB LEU A 101 1.306 2.935 -3.214 1.00 0.00 C ATOM 1501 CG LEU A 101 1.850 1.524 -3.057 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.885 1.447 -1.966 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.705 0.580 -2.770 1.00 0.00 C ATOM 0 H LEU A 101 0.544 5.042 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 101 2.804 4.418 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.832 3.219 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.523 2.911 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 101 2.340 1.235 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.251 0.424 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.716 2.111 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.439 1.751 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.089 -0.434 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.205 0.884 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.006 0.608 -3.596 1.00 0.00 H new ATOM 1515 N GLN A 102 3.058 3.078 -5.736 1.00 0.00 N ATOM 1516 CA GLN A 102 4.087 2.558 -6.632 1.00 0.00 C ATOM 1517 C GLN A 102 5.160 3.622 -6.835 1.00 0.00 C ATOM 1518 O GLN A 102 6.338 3.309 -6.869 1.00 0.00 O ATOM 1519 CB GLN A 102 3.573 2.089 -8.006 1.00 0.00 C ATOM 1520 CG GLN A 102 2.110 2.093 -8.198 1.00 0.00 C ATOM 1521 CD GLN A 102 1.748 2.253 -9.660 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.712 2.804 -10.013 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.618 1.781 -10.519 1.00 0.00 N ATOM 0 H GLN A 102 2.113 3.092 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 102 4.484 1.668 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.019 2.723 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.937 1.076 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.688 1.163 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.667 2.905 -7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.469 1.329 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.444 1.866 -11.520 1.00 0.00 H new ATOM 1532 N GLU A 103 4.738 4.885 -6.932 1.00 0.00 N ATOM 1533 CA GLU A 103 5.658 6.009 -7.127 1.00 0.00 C ATOM 1534 C GLU A 103 6.588 6.163 -5.948 1.00 0.00 C ATOM 1535 O GLU A 103 7.796 6.300 -6.118 1.00 0.00 O ATOM 1536 CB GLU A 103 4.911 7.319 -7.281 1.00 0.00 C ATOM 1537 CG GLU A 103 3.756 7.262 -8.239 1.00 0.00 C ATOM 1538 CD GLU A 103 3.193 8.636 -8.511 1.00 0.00 C ATOM 1539 OE1 GLU A 103 2.414 9.140 -7.677 1.00 0.00 O ATOM 1540 OE2 GLU A 103 3.568 9.240 -9.538 1.00 0.00 O ATOM 0 H GLU A 103 3.756 5.157 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 103 6.221 5.787 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.542 7.631 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.610 8.085 -7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.081 6.809 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.974 6.622 -7.830 1.00 0.00 H new ATOM 1547 N ILE A 104 6.013 6.191 -4.758 1.00 0.00 N ATOM 1548 CA ILE A 104 6.797 6.254 -3.547 1.00 0.00 C ATOM 1549 C ILE A 104 7.754 5.076 -3.507 1.00 0.00 C ATOM 1550 O ILE A 104 8.923 5.216 -3.155 1.00 0.00 O ATOM 1551 CB ILE A 104 5.922 6.275 -2.289 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.177 7.593 -2.196 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.782 6.092 -1.069 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.691 7.469 -2.335 1.00 0.00 C ATOM 0 H ILE A 104 5.004 6.171 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 104 7.358 7.189 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 104 5.199 5.461 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.403 8.059 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.549 8.263 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.156 6.108 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.302 5.136 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.512 6.900 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.235 8.456 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.451 7.034 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.304 6.827 -1.544 1.00 0.00 H new ATOM 1566 N MET A 105 7.255 3.925 -3.922 1.00 0.00 N ATOM 1567 CA MET A 105 8.077 2.739 -4.045 1.00 0.00 C ATOM 1568 C MET A 105 9.240 2.982 -5.008 1.00 0.00 C ATOM 1569 O MET A 105 10.384 2.599 -4.746 1.00 0.00 O ATOM 1570 CB MET A 105 7.253 1.566 -4.542 1.00 0.00 C ATOM 1571 CG MET A 105 6.260 1.049 -3.529 1.00 0.00 C ATOM 1572 SD MET A 105 6.006 -0.712 -3.699 1.00 0.00 S ATOM 1573 CE MET A 105 5.106 -1.030 -2.208 1.00 0.00 C ATOM 0 H MET A 105 6.278 3.789 -4.180 1.00 0.00 H new ATOM 0 HA MET A 105 8.474 2.507 -3.057 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.717 1.866 -5.443 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.925 0.756 -4.825 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.616 1.271 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.310 1.568 -3.652 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.696 -1.675 -1.557 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.902 -0.088 -1.698 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.164 -1.523 -2.450 1.00 0.00 H new ATOM 1583 N GLN A 106 8.918 3.632 -6.122 1.00 0.00 N ATOM 1584 CA GLN A 106 9.882 3.956 -7.161 1.00 0.00 C ATOM 1585 C GLN A 106 10.940 4.925 -6.640 1.00 0.00 C ATOM 1586 O GLN A 106 12.143 4.703 -6.773 1.00 0.00 O ATOM 1587 CB GLN A 106 9.154 4.608 -8.331 1.00 0.00 C ATOM 1588 CG GLN A 106 8.141 3.713 -9.007 1.00 0.00 C ATOM 1589 CD GLN A 106 7.121 4.472 -9.835 1.00 0.00 C ATOM 1590 OE1 GLN A 106 7.395 5.557 -10.352 1.00 0.00 O ATOM 1591 NE2 GLN A 106 5.941 3.893 -9.990 1.00 0.00 N ATOM 0 H GLN A 106 7.971 3.950 -6.328 1.00 0.00 H new ATOM 0 HA GLN A 106 10.373 3.035 -7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.649 5.506 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.889 4.928 -9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.665 3.005 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.620 3.129 -8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.752 2.994 -9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.221 4.345 -10.553 1.00 0.00 H new ATOM 1600 N ASN A 107 10.459 5.984 -6.010 1.00 0.00 N ATOM 1601 CA ASN A 107 11.270 7.153 -5.708 1.00 0.00 C ATOM 1602 C ASN A 107 11.937 7.101 -4.340 1.00 0.00 C ATOM 1603 O ASN A 107 13.030 7.644 -4.163 1.00 0.00 O ATOM 1604 CB ASN A 107 10.400 8.400 -5.806 1.00 0.00 C ATOM 1605 CG ASN A 107 10.139 8.814 -7.237 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.892 9.595 -7.813 1.00 0.00 O ATOM 1607 ND2 ASN A 107 9.068 8.302 -7.819 1.00 0.00 N ATOM 0 H ASN A 107 9.492 6.058 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 107 12.077 7.176 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.449 8.216 -5.305 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.885 9.220 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.842 8.553 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.468 7.656 -7.306 1.00 0.00 H new ATOM 1614 N ASN A 108 11.306 6.454 -3.373 1.00 0.00 N ATOM 1615 CA ASN A 108 11.797 6.519 -2.003 1.00 0.00 C ATOM 1616 C ASN A 108 12.742 5.378 -1.722 1.00 0.00 C ATOM 1617 O ASN A 108 13.635 5.497 -0.885 1.00 0.00 O ATOM 1618 CB ASN A 108 10.649 6.545 -0.975 1.00 0.00 C ATOM 1619 CG ASN A 108 9.804 7.795 -1.095 1.00 0.00 C ATOM 1620 OD1 ASN A 108 9.151 8.145 -0.018 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 9.722 8.423 -2.151 1.00 0.00 N flip ATOM 0 H ASN A 108 10.468 5.887 -3.505 1.00 0.00 H new ATOM 0 HA ASN A 108 12.342 7.457 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.018 5.667 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.063 6.483 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.248 8.116 -2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.128 9.250 -2.208 1.00 0.00 H new ATOM 1628 N SER A 109 12.535 4.275 -2.439 1.00 0.00 N ATOM 1629 CA SER A 109 13.310 3.040 -2.251 1.00 0.00 C ATOM 1630 C SER A 109 12.949 2.393 -0.915 1.00 0.00 C ATOM 1631 O SER A 109 13.003 1.171 -0.778 1.00 0.00 O ATOM 1632 CB SER A 109 14.815 3.314 -2.328 1.00 0.00 C ATOM 1633 OG SER A 109 15.544 2.129 -2.604 1.00 0.00 O ATOM 0 H SER A 109 11.825 4.208 -3.169 1.00 0.00 H new ATOM 0 HA SER A 109 13.056 2.351 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.012 4.053 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.157 3.742 -1.386 1.00 0.00 H new ATOM 0 HG SER A 109 15.073 1.607 -3.287 1.00 0.00 H new ATOM 1639 N ILE A 110 12.562 3.224 0.050 1.00 0.00 N ATOM 1640 CA ILE A 110 12.000 2.770 1.300 1.00 0.00 C ATOM 1641 C ILE A 110 13.032 2.066 2.162 1.00 0.00 C ATOM 1642 O ILE A 110 13.260 0.857 2.054 1.00 0.00 O ATOM 1643 CB ILE A 110 10.778 1.880 1.087 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.620 2.698 0.549 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.392 1.228 2.380 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.768 3.156 -0.878 1.00 0.00 C ATOM 0 H ILE A 110 12.634 4.239 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 110 11.672 3.663 1.833 1.00 0.00 H new ATOM 0 HB ILE A 110 11.026 1.107 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.708 2.106 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.489 3.575 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.519 0.594 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.221 0.620 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.154 1.995 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.889 3.732 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.657 3.779 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.864 2.288 -1.530 1.00 0.00 H new ATOM 1658 N ASN A 111 13.671 2.841 3.013 1.00 0.00 N ATOM 1659 CA ASN A 111 14.618 2.300 3.957 1.00 0.00 C ATOM 1660 C ASN A 111 14.429 2.978 5.296 1.00 0.00 C ATOM 1661 O ASN A 111 14.412 4.204 5.382 1.00 0.00 O ATOM 1662 CB ASN A 111 16.060 2.501 3.476 1.00 0.00 C ATOM 1663 CG ASN A 111 16.208 2.376 1.969 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.102 3.365 1.239 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.450 1.166 1.489 1.00 0.00 N ATOM 0 H ASN A 111 13.549 3.852 3.068 1.00 0.00 H new ATOM 0 HA ASN A 111 14.440 1.229 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.407 3.486 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.704 1.767 3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.555 1.028 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.531 0.372 2.124 1.00 0.00 H new ATOM 1672 N VAL A 112 14.258 2.179 6.328 1.00 0.00 N ATOM 1673 CA VAL A 112 14.094 2.687 7.676 1.00 0.00 C ATOM 1674 C VAL A 112 15.267 2.210 8.517 1.00 0.00 C ATOM 1675 O VAL A 112 15.092 1.596 9.570 1.00 0.00 O ATOM 1676 CB VAL A 112 12.759 2.202 8.279 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.442 2.905 9.588 1.00 0.00 C ATOM 1678 CG2 VAL A 112 11.637 2.421 7.285 1.00 0.00 C ATOM 0 H VAL A 112 14.229 1.162 6.258 1.00 0.00 H new ATOM 0 HA VAL A 112 14.072 3.777 7.660 1.00 0.00 H new ATOM 0 HB VAL A 112 12.856 1.138 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.494 2.535 9.979 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.235 2.706 10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.369 3.979 9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.697 2.077 7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.561 3.483 7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.844 1.861 6.373 1.00 0.00 H new ATOM 1688 N VAL A 113 16.467 2.491 8.006 1.00 0.00 N ATOM 1689 CA VAL A 113 17.726 1.990 8.555 1.00 0.00 C ATOM 1690 C VAL A 113 17.739 0.453 8.571 1.00 0.00 C ATOM 1691 O VAL A 113 16.806 -0.183 8.068 1.00 0.00 O ATOM 1692 CB VAL A 113 18.037 2.580 9.965 1.00 0.00 C ATOM 1693 CG1 VAL A 113 17.551 1.690 11.106 1.00 0.00 C ATOM 1694 CG2 VAL A 113 19.520 2.867 10.096 1.00 0.00 C ATOM 0 H VAL A 113 16.592 3.083 7.185 1.00 0.00 H new ATOM 0 HA VAL A 113 18.525 2.331 7.896 1.00 0.00 H new ATOM 0 HB VAL A 113 17.480 3.513 10.050 1.00 0.00 H new ATOM 0 HG11 VAL A 113 17.797 2.155 12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.471 1.562 11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.037 0.717 11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.725 3.279 11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 113 20.083 1.943 9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.820 3.586 9.334 1.00 0.00 H new ATOM 1704 N GLU A 114 18.802 -0.136 9.127 1.00 0.00 N ATOM 1705 CA GLU A 114 18.965 -1.580 9.156 1.00 0.00 C ATOM 1706 C GLU A 114 18.894 -2.154 7.751 1.00 0.00 C ATOM 1707 O GLU A 114 17.997 -2.924 7.408 1.00 0.00 O ATOM 1708 CB GLU A 114 17.916 -2.208 10.063 1.00 0.00 C ATOM 1709 CG GLU A 114 18.181 -1.998 11.532 1.00 0.00 C ATOM 1710 CD GLU A 114 17.049 -2.497 12.406 1.00 0.00 C ATOM 1711 OE1 GLU A 114 17.033 -3.701 12.745 1.00 0.00 O ATOM 1712 OE2 GLU A 114 16.168 -1.689 12.768 1.00 0.00 O ATOM 0 H GLU A 114 19.566 0.378 9.566 1.00 0.00 H new ATOM 0 HA GLU A 114 19.949 -1.816 9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.939 -1.792 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.867 -3.278 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.102 -2.512 11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.340 -0.936 11.721 1.00 0.00 H new ATOM 1719 N GLU A 115 19.862 -1.764 6.953 1.00 0.00 N ATOM 1720 CA GLU A 115 19.904 -2.142 5.553 1.00 0.00 C ATOM 1721 C GLU A 115 21.063 -3.084 5.294 1.00 0.00 C ATOM 1722 O GLU A 115 22.223 -2.696 5.437 1.00 0.00 O ATOM 1723 CB GLU A 115 20.057 -0.905 4.671 1.00 0.00 C ATOM 1724 CG GLU A 115 18.909 0.077 4.803 1.00 0.00 C ATOM 1725 CD GLU A 115 19.154 1.360 4.043 1.00 0.00 C ATOM 1726 OE1 GLU A 115 19.334 1.311 2.810 1.00 0.00 O ATOM 1727 OE2 GLU A 115 19.174 2.434 4.677 1.00 0.00 O ATOM 0 H GLU A 115 20.641 -1.178 7.252 1.00 0.00 H new ATOM 0 HA GLU A 115 18.968 -2.645 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.988 -0.399 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.139 -1.218 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.993 -0.388 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.751 0.307 5.857 1.00 0.00 H new ATOM 1734 N PRO A 116 20.776 -4.331 4.902 1.00 0.00 N ATOM 1735 CA PRO A 116 21.801 -5.288 4.502 1.00 0.00 C ATOM 1736 C PRO A 116 22.354 -4.969 3.120 1.00 0.00 C ATOM 1737 O PRO A 116 22.655 -5.874 2.338 1.00 0.00 O ATOM 1738 CB PRO A 116 21.080 -6.627 4.455 1.00 0.00 C ATOM 1739 CG PRO A 116 19.732 -6.382 5.026 1.00 0.00 C ATOM 1740 CD PRO A 116 19.440 -4.923 4.839 1.00 0.00 C ATOM 0 HA PRO A 116 22.645 -5.273 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 116 21.010 -6.997 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 116 21.617 -7.381 5.031 1.00 0.00 H new ATOM 0 HG2 PRO A 116 18.983 -6.994 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 116 19.705 -6.649 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 116 18.951 -4.724 3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.785 -4.535 5.620 1.00 0.00 H new ATOM 1748 N VAL A 117 22.490 -3.675 2.847 1.00 0.00 N ATOM 1749 CA VAL A 117 22.957 -3.160 1.566 1.00 0.00 C ATOM 1750 C VAL A 117 21.929 -3.393 0.466 1.00 0.00 C ATOM 1751 O VAL A 117 21.604 -4.529 0.112 1.00 0.00 O ATOM 1752 CB VAL A 117 24.304 -3.764 1.137 1.00 0.00 C ATOM 1753 CG1 VAL A 117 24.967 -2.898 0.080 1.00 0.00 C ATOM 1754 CG2 VAL A 117 25.221 -3.969 2.334 1.00 0.00 C ATOM 0 H VAL A 117 22.275 -2.942 3.523 1.00 0.00 H new ATOM 0 HA VAL A 117 23.099 -2.089 1.712 1.00 0.00 H new ATOM 0 HB VAL A 117 24.111 -4.744 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 117 25.919 -3.343 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 117 24.318 -2.828 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 117 25.141 -1.900 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 117 26.166 -4.397 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 117 25.408 -3.010 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 117 24.747 -4.647 3.044 1.00 0.00 H new ATOM 1764 N VAL A 118 21.408 -2.299 -0.054 1.00 0.00 N ATOM 1765 CA VAL A 118 20.483 -2.344 -1.178 1.00 0.00 C ATOM 1766 C VAL A 118 21.241 -2.735 -2.443 1.00 0.00 C ATOM 1767 O VAL A 118 22.385 -2.308 -2.629 1.00 0.00 O ATOM 1768 CB VAL A 118 19.791 -0.984 -1.385 1.00 0.00 C ATOM 1769 CG1 VAL A 118 18.707 -1.105 -2.437 1.00 0.00 C ATOM 1770 CG2 VAL A 118 19.215 -0.468 -0.076 1.00 0.00 C ATOM 0 H VAL A 118 21.610 -1.358 0.285 1.00 0.00 H new ATOM 0 HA VAL A 118 19.714 -3.085 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 118 20.534 -0.266 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.224 -0.137 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.149 -1.428 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.967 -1.837 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 118 18.731 0.494 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.483 -1.180 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 118 20.017 -0.347 0.652 1.00 0.00 H new ATOM 1780 N GLU A 119 20.610 -3.545 -3.298 1.00 0.00 N ATOM 1781 CA GLU A 119 21.256 -4.090 -4.478 1.00 0.00 C ATOM 1782 C GLU A 119 22.497 -4.888 -4.080 1.00 0.00 C ATOM 1783 O GLU A 119 23.570 -4.725 -4.661 1.00 0.00 O ATOM 1784 CB GLU A 119 21.616 -2.976 -5.452 1.00 0.00 C ATOM 1785 CG GLU A 119 20.419 -2.309 -6.117 1.00 0.00 C ATOM 1786 CD GLU A 119 19.801 -3.162 -7.209 1.00 0.00 C ATOM 1787 OE1 GLU A 119 20.328 -3.158 -8.344 1.00 0.00 O ATOM 1788 OE2 GLU A 119 18.780 -3.830 -6.948 1.00 0.00 O ATOM 0 H GLU A 119 19.639 -3.836 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 119 20.561 -4.764 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 119 22.190 -2.217 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.266 -3.383 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.664 -2.092 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 119 20.730 -1.354 -6.541 1.00 0.00 H new ATOM 1795 N ARG A 120 22.328 -5.744 -3.074 1.00 0.00 N ATOM 1796 CA ARG A 120 23.413 -6.572 -2.555 1.00 0.00 C ATOM 1797 C ARG A 120 23.993 -7.474 -3.636 1.00 0.00 C ATOM 1798 O ARG A 120 25.130 -7.284 -4.077 1.00 0.00 O ATOM 1799 CB ARG A 120 22.918 -7.426 -1.407 1.00 0.00 C ATOM 1800 CG ARG A 120 24.056 -8.103 -0.686 1.00 0.00 C ATOM 1801 CD ARG A 120 24.723 -7.163 0.298 1.00 0.00 C ATOM 1802 NE ARG A 120 25.787 -7.828 1.044 1.00 0.00 N ATOM 1803 CZ ARG A 120 25.906 -7.795 2.368 1.00 0.00 C ATOM 1804 NH1 ARG A 120 24.993 -7.180 3.109 1.00 0.00 N ATOM 1805 NH2 ARG A 120 26.936 -8.390 2.957 1.00 0.00 N ATOM 0 H ARG A 120 21.437 -5.882 -2.597 1.00 0.00 H new ATOM 0 HA ARG A 120 24.198 -5.901 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 120 22.360 -6.805 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 120 22.227 -8.179 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 120 23.684 -8.981 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 120 24.790 -8.455 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 120 25.134 -6.307 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.978 -6.776 0.993 1.00 0.00 H new ATOM 0 HE ARG A 120 26.484 -8.352 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 120 24.194 -6.729 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 120 25.090 -7.158 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 120 27.636 -8.873 2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 120 27.027 -8.365 3.973 1.00 0.00 H new ATOM 1819 N ASN A 121 23.213 -8.456 -4.053 1.00 0.00 N ATOM 1820 CA ASN A 121 23.649 -9.383 -5.079 1.00 0.00 C ATOM 1821 C ASN A 121 23.325 -8.815 -6.446 1.00 0.00 C ATOM 1822 O ASN A 121 22.182 -8.458 -6.729 1.00 0.00 O ATOM 1823 CB ASN A 121 22.985 -10.751 -4.900 1.00 0.00 C ATOM 1824 CG ASN A 121 23.432 -11.459 -3.635 1.00 0.00 C ATOM 1825 OD1 ASN A 121 22.852 -11.268 -2.564 1.00 0.00 O ATOM 1826 ND2 ASN A 121 24.452 -12.293 -3.751 1.00 0.00 N ATOM 0 H ASN A 121 22.274 -8.631 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 121 24.727 -9.520 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 121 21.903 -10.624 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 121 23.215 -11.377 -5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 121 24.786 -12.807 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 121 24.905 -12.423 -4.656 1.00 0.00 H new ATOM 1833 N ASN A 122 24.338 -8.703 -7.280 1.00 0.00 N ATOM 1834 CA ASN A 122 24.171 -8.150 -8.608 1.00 0.00 C ATOM 1835 C ASN A 122 24.459 -9.227 -9.635 1.00 0.00 C ATOM 1836 O ASN A 122 23.504 -9.751 -10.235 1.00 0.00 O ATOM 1837 CB ASN A 122 25.108 -6.956 -8.822 1.00 0.00 C ATOM 1838 CG ASN A 122 24.924 -5.854 -7.791 1.00 0.00 C ATOM 1839 OD1 ASN A 122 25.881 -5.174 -7.419 1.00 0.00 O ATOM 1840 ND2 ASN A 122 23.701 -5.653 -7.332 1.00 0.00 N ATOM 1841 OXT ASN A 122 25.641 -9.591 -9.792 1.00 0.00 O ATOM 0 H ASN A 122 25.292 -8.990 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 122 23.145 -7.799 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 122 26.141 -7.304 -8.792 1.00 0.00 H new ATOM 0 HB3 ASN A 122 24.939 -6.545 -9.817 1.00 0.00 H new ATOM 0 HD21 ASN A 122 23.528 -4.916 -6.648 1.00 0.00 H new ATOM 0 HD22 ASN A 122 22.931 -6.235 -7.661 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -4.693 -13.652 -13.347 1.00 0.00 N ATOM 1850 CA GLY B 493 -3.594 -14.158 -12.490 1.00 0.00 C ATOM 1851 C GLY B 493 -3.819 -13.830 -11.032 1.00 0.00 C ATOM 1852 O GLY B 493 -4.623 -12.953 -10.716 1.00 0.00 O ATOM 0 HA2 GLY B 493 -3.508 -15.238 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -2.649 -13.725 -12.818 1.00 0.00 H new ATOM 1858 N PRO B 494 -3.120 -14.522 -10.112 1.00 0.00 N ATOM 1859 CA PRO B 494 -3.169 -14.222 -8.675 1.00 0.00 C ATOM 1860 C PRO B 494 -2.658 -12.816 -8.371 1.00 0.00 C ATOM 1861 O PRO B 494 -2.796 -12.318 -7.255 1.00 0.00 O ATOM 1862 CB PRO B 494 -2.248 -15.275 -8.045 1.00 0.00 C ATOM 1863 CG PRO B 494 -1.397 -15.766 -9.165 1.00 0.00 C ATOM 1864 CD PRO B 494 -2.247 -15.668 -10.399 1.00 0.00 C ATOM 0 HA PRO B 494 -4.187 -14.254 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -1.641 -14.843 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -2.824 -16.088 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -0.494 -15.163 -9.263 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -1.077 -16.793 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -1.644 -15.502 -11.292 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -2.821 -16.580 -10.567 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.065 -12.183 -9.379 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.640 -10.794 -9.273 1.00 0.00 C ATOM 1874 C ASP B 495 -2.797 -9.850 -9.512 1.00 0.00 C ATOM 1875 O ASP B 495 -2.623 -8.673 -9.784 1.00 0.00 O ATOM 1876 CB ASP B 495 -0.560 -10.466 -10.267 1.00 0.00 C ATOM 1877 CG ASP B 495 0.813 -10.906 -9.814 1.00 0.00 C ATOM 1878 OD1 ASP B 495 1.356 -10.305 -8.864 1.00 0.00 O ATOM 1879 OD2 ASP B 495 1.353 -11.870 -10.399 1.00 0.00 O ATOM 0 H ASP B 495 -1.868 -12.614 -10.282 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.255 -10.668 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -0.793 -10.943 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -0.551 -9.390 -10.444 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.956 -10.406 -9.543 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.168 -9.660 -9.323 1.00 0.00 C ATOM 1886 C ALA B 496 -5.833 -10.201 -8.088 1.00 0.00 C ATOM 1887 O ALA B 496 -6.009 -11.409 -7.940 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.094 -9.678 -10.522 1.00 0.00 C ATOM 0 H ALA B 496 -4.103 -11.399 -9.722 1.00 0.00 H new ATOM 0 HA ALA B 496 -4.918 -8.609 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -6.991 -9.100 -10.298 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.585 -9.241 -11.381 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.373 -10.707 -10.751 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.110 -9.313 -7.167 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.832 -9.678 -5.964 1.00 0.00 C ATOM 1896 C VAL B 497 -8.302 -9.563 -6.236 1.00 0.00 C ATOM 1897 O VAL B 497 -8.829 -8.489 -6.485 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.407 -8.808 -4.737 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.177 -8.029 -5.070 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.495 -7.853 -4.255 1.00 0.00 C ATOM 0 H VAL B 497 -5.848 -8.329 -7.223 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.587 -10.707 -5.701 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.217 -9.505 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.886 -7.425 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.369 -8.715 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.378 -7.378 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.127 -7.283 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.761 -7.169 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.375 -8.424 -3.958 1.00 0.00 H new ATOM 1910 N ILE B 498 -8.985 -10.667 -6.275 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.356 -10.564 -6.637 1.00 0.00 C ATOM 1912 C ILE B 498 -11.161 -10.453 -5.376 1.00 0.00 C ATOM 1913 O ILE B 498 -11.703 -11.440 -4.872 1.00 0.00 O ATOM 1914 CB ILE B 498 -10.917 -11.679 -7.537 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.033 -12.063 -8.748 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.276 -11.227 -8.058 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.715 -11.365 -8.883 1.00 0.00 C ATOM 0 H ILE B 498 -8.634 -11.603 -6.071 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.434 -9.676 -7.264 1.00 0.00 H new ATOM 0 HB ILE B 498 -10.968 -12.572 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -9.844 -13.135 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.607 -11.880 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.696 -12.002 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -12.947 -11.049 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.159 -10.306 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.200 -11.729 -9.772 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -8.879 -10.291 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.105 -11.566 -8.003 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.206 -9.244 -4.840 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.839 -9.042 -3.570 1.00 0.00 C ATOM 1931 C ILE B 499 -13.320 -8.787 -3.797 1.00 0.00 C ATOM 1932 O ILE B 499 -13.750 -7.653 -4.017 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.144 -7.908 -2.757 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.889 -8.433 -2.040 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.091 -7.261 -1.763 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -9.955 -9.890 -1.645 1.00 0.00 C ATOM 0 H ILE B 499 -10.814 -8.405 -5.267 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.736 -9.939 -2.959 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.842 -7.142 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.026 -8.285 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.721 -7.834 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.566 -6.476 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.938 -6.828 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.450 -8.013 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.029 -10.174 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.795 -10.046 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.090 -10.503 -2.536 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.066 -9.893 -3.780 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.507 -9.888 -3.991 1.00 0.00 C ATOM 1950 C GLY B 500 -15.975 -8.947 -5.081 1.00 0.00 C ATOM 1951 O GLY B 500 -16.043 -9.318 -6.257 1.00 0.00 O ATOM 0 H GLY B 500 -13.680 -10.823 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.830 -10.900 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -15.998 -9.616 -3.057 1.00 0.00 H new ATOM 1955 N MET B 501 -16.309 -7.733 -4.661 1.00 0.00 N ATOM 1956 CA MET B 501 -16.778 -6.678 -5.526 1.00 0.00 C ATOM 1957 C MET B 501 -15.881 -6.500 -6.752 1.00 0.00 C ATOM 1958 O MET B 501 -16.380 -6.374 -7.873 1.00 0.00 O ATOM 1959 CB MET B 501 -16.839 -5.390 -4.700 1.00 0.00 C ATOM 1960 CG MET B 501 -17.747 -4.333 -5.269 1.00 0.00 C ATOM 1961 SD MET B 501 -17.021 -3.430 -6.652 1.00 0.00 S ATOM 1962 CE MET B 501 -15.675 -2.558 -5.851 1.00 0.00 C ATOM 0 H MET B 501 -16.257 -7.456 -3.681 1.00 0.00 H new ATOM 0 HA MET B 501 -17.766 -6.934 -5.908 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.172 -5.634 -3.691 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.833 -4.980 -4.613 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.675 -4.801 -5.598 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.008 -3.627 -4.481 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.783 -2.613 -6.475 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.953 -1.514 -5.707 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.470 -3.016 -4.883 1.00 0.00 H new ATOM 1972 N THR B 502 -14.565 -6.506 -6.560 1.00 0.00 N ATOM 1973 CA THR B 502 -13.673 -6.217 -7.673 1.00 0.00 C ATOM 1974 C THR B 502 -12.366 -7.004 -7.661 1.00 0.00 C ATOM 1975 O THR B 502 -11.804 -7.306 -6.611 1.00 0.00 O ATOM 1976 CB THR B 502 -13.396 -4.703 -7.730 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.355 -4.051 -8.571 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.012 -4.401 -8.228 1.00 0.00 C ATOM 0 H THR B 502 -14.105 -6.702 -5.671 1.00 0.00 H new ATOM 0 HA THR B 502 -14.192 -6.546 -8.574 1.00 0.00 H new ATOM 0 HB THR B 502 -13.480 -4.325 -6.711 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.195 -3.934 -8.080 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.861 -3.322 -8.252 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.278 -4.855 -7.562 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.890 -4.806 -9.232 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.913 -7.347 -8.867 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.614 -7.932 -9.076 1.00 0.00 C ATOM 1988 C LYS B 503 -9.543 -6.866 -9.256 1.00 0.00 C ATOM 1989 O LYS B 503 -9.588 -6.093 -10.199 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.660 -8.860 -10.286 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.376 -8.889 -11.095 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.225 -10.165 -11.904 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.548 -10.662 -12.464 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.117 -9.733 -13.473 1.00 0.00 N ATOM 0 H LYS B 503 -12.451 -7.221 -9.724 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.350 -8.509 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.886 -9.871 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.479 -8.552 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.355 -8.032 -11.768 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.525 -8.787 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.530 -9.990 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.787 -10.940 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.403 -11.643 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.260 -10.790 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.111 -9.535 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.577 -8.844 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.062 -10.169 -14.416 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.569 -6.859 -8.359 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.539 -5.850 -8.347 1.00 0.00 C ATOM 2010 C ILE B 504 -6.277 -6.324 -9.008 1.00 0.00 C ATOM 2011 O ILE B 504 -5.527 -7.100 -8.435 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.168 -5.440 -6.930 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.405 -5.003 -6.188 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.178 -4.311 -6.977 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.101 -4.202 -4.955 1.00 0.00 C ATOM 0 H ILE B 504 -8.477 -7.557 -7.621 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.958 -5.005 -8.894 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.722 -6.289 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.030 -4.409 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -8.984 -5.883 -5.908 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.912 -4.017 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.282 -4.634 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.620 -3.461 -7.497 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.033 -3.918 -4.467 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.501 -4.801 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.548 -3.304 -5.231 1.00 0.00 H new ATOM 2027 N PRO B 505 -5.987 -5.803 -10.177 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.782 -6.131 -10.884 1.00 0.00 C ATOM 2029 C PRO B 505 -3.616 -5.382 -10.255 1.00 0.00 C ATOM 2030 O PRO B 505 -3.421 -4.180 -10.456 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.109 -5.686 -12.299 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.010 -4.521 -12.123 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.775 -4.787 -10.866 1.00 0.00 C ATOM 0 HA PRO B 505 -4.483 -7.179 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.208 -5.411 -12.847 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.595 -6.482 -12.863 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.441 -3.594 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.682 -4.413 -12.975 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.877 -3.885 -10.263 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.783 -5.142 -11.081 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.920 -6.100 -9.401 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.835 -5.556 -8.619 1.00 0.00 C ATOM 2043 C VAL B 506 -0.488 -5.744 -9.306 1.00 0.00 C ATOM 2044 O VAL B 506 -0.370 -6.444 -10.311 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.782 -6.226 -7.231 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.085 -6.044 -6.476 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.472 -7.696 -7.361 1.00 0.00 C ATOM 0 H VAL B 506 -3.095 -7.090 -9.229 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.026 -4.488 -8.513 1.00 0.00 H new ATOM 0 HB VAL B 506 -0.987 -5.740 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.012 -6.529 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.280 -4.981 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.900 -6.492 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.439 -8.150 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.246 -8.180 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.506 -7.822 -7.850 1.00 0.00 H new ATOM 2057 N ILE B 507 0.513 -5.104 -8.735 1.00 0.00 N ATOM 2058 CA ILE B 507 1.878 -5.151 -9.227 1.00 0.00 C ATOM 2059 C ILE B 507 2.803 -5.457 -8.061 1.00 0.00 C ATOM 2060 O ILE B 507 2.441 -5.219 -6.914 1.00 0.00 O ATOM 2061 CB ILE B 507 2.281 -3.817 -9.884 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.521 -2.767 -8.835 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.166 -3.330 -10.780 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.117 -1.487 -9.366 1.00 0.00 C ATOM 0 H ILE B 507 0.400 -4.527 -7.902 1.00 0.00 H new ATOM 0 HA ILE B 507 1.956 -5.929 -9.986 1.00 0.00 H new ATOM 0 HB ILE B 507 3.191 -3.985 -10.460 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.576 -2.538 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.185 -3.175 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.456 -2.386 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.974 -4.070 -11.557 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.263 -3.182 -10.189 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.258 -0.783 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.080 -1.699 -9.831 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.445 -1.052 -10.105 1.00 0.00 H new ATOM 2076 N GLU B 508 3.976 -5.988 -8.334 1.00 0.00 N ATOM 2077 CA GLU B 508 4.869 -6.385 -7.262 1.00 0.00 C ATOM 2078 C GLU B 508 5.969 -5.349 -7.033 1.00 0.00 C ATOM 2079 O GLU B 508 6.571 -4.824 -7.973 1.00 0.00 O ATOM 2080 CB GLU B 508 5.437 -7.776 -7.529 1.00 0.00 C ATOM 2081 CG GLU B 508 4.488 -8.899 -7.134 1.00 0.00 C ATOM 2082 CD GLU B 508 5.011 -10.260 -7.520 1.00 0.00 C ATOM 2083 OE1 GLU B 508 4.985 -10.592 -8.724 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.479 -11.001 -6.628 1.00 0.00 O ATOM 0 H GLU B 508 4.332 -6.154 -9.275 1.00 0.00 H new ATOM 0 HA GLU B 508 4.293 -6.433 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.675 -7.867 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.372 -7.890 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.323 -8.869 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.521 -8.737 -7.609 1.00 0.00 H new ATOM 2091 N ASN B 509 6.201 -5.078 -5.751 1.00 0.00 N ATOM 2092 CA ASN B 509 7.059 -3.983 -5.281 1.00 0.00 C ATOM 2093 C ASN B 509 8.505 -4.108 -5.757 1.00 0.00 C ATOM 2094 O ASN B 509 9.015 -5.212 -5.958 1.00 0.00 O ATOM 2095 CB ASN B 509 7.054 -3.963 -3.751 1.00 0.00 C ATOM 2096 CG ASN B 509 7.831 -5.121 -3.158 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.015 -5.001 -2.879 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.175 -6.252 -2.966 1.00 0.00 N ATOM 0 H ASN B 509 5.792 -5.622 -4.991 1.00 0.00 H new ATOM 0 HA ASN B 509 6.653 -3.061 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.482 -3.024 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.025 -3.997 -3.393 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.657 -7.061 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.187 -6.316 -3.211 1.00 0.00 H new ATOM 2105 N PRO B 510 9.181 -2.963 -5.949 1.00 0.00 N ATOM 2106 CA PRO B 510 10.614 -2.913 -6.223 1.00 0.00 C ATOM 2107 C PRO B 510 11.463 -2.971 -4.948 1.00 0.00 C ATOM 2108 O PRO B 510 12.685 -3.110 -5.023 1.00 0.00 O ATOM 2109 CB PRO B 510 10.809 -1.550 -6.911 1.00 0.00 C ATOM 2110 CG PRO B 510 9.447 -0.939 -7.018 1.00 0.00 C ATOM 2111 CD PRO B 510 8.603 -1.618 -5.982 1.00 0.00 C ATOM 0 HA PRO B 510 10.930 -3.766 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.477 -0.913 -6.331 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.260 -1.672 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.488 0.136 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.032 -1.085 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.669 -1.122 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.549 -1.634 -6.261 1.00 0.00 H new ATOM 2119 N GLN B 511 10.817 -2.871 -3.781 1.00 0.00 N ATOM 2120 CA GLN B 511 11.532 -2.850 -2.501 1.00 0.00 C ATOM 2121 C GLN B 511 12.282 -4.160 -2.286 1.00 0.00 C ATOM 2122 O GLN B 511 13.428 -4.173 -1.837 1.00 0.00 O ATOM 2123 CB GLN B 511 10.562 -2.604 -1.337 1.00 0.00 C ATOM 2124 CG GLN B 511 10.065 -1.164 -1.195 1.00 0.00 C ATOM 2125 CD GLN B 511 10.096 -0.379 -2.487 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.141 -0.392 -3.248 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.193 0.316 -2.738 1.00 0.00 N ATOM 0 H GLN B 511 9.803 -2.804 -3.697 1.00 0.00 H new ATOM 0 HA GLN B 511 12.252 -2.032 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.699 -3.259 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.053 -2.895 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.044 -1.178 -0.813 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.676 -0.650 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.969 0.300 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.263 0.868 -3.593 1.00 0.00 H new HETATM 2136 N PTR B 512 11.615 -5.254 -2.612 1.00 0.00 N HETATM 2137 CA PTR B 512 12.204 -6.582 -2.532 1.00 0.00 C HETATM 2138 C PTR B 512 13.274 -6.756 -3.596 1.00 0.00 C HETATM 2139 O PTR B 512 14.292 -7.407 -3.369 1.00 0.00 O HETATM 2140 CB PTR B 512 11.125 -7.654 -2.715 1.00 0.00 C HETATM 2141 CG PTR B 512 10.198 -7.822 -1.529 1.00 0.00 C HETATM 2142 CD1 PTR B 512 9.953 -6.776 -0.648 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.570 -9.034 -1.293 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.116 -6.933 0.427 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.726 -9.201 -0.215 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.503 -8.149 0.645 1.00 0.00 C HETATM 2147 OH PTR B 512 7.661 -8.314 1.722 1.00 0.00 O HETATM 2148 P PTR B 512 8.134 -9.289 2.932 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.442 -8.706 3.405 1.00 0.00 O HETATM 2150 O2P PTR B 512 8.133 -10.737 2.267 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.077 -9.036 3.989 1.00 0.00 O HETATM 0 HE2 PTR B 512 8.238 -10.161 -0.045 1.00 0.00 H new HETATM 0 HE1 PTR B 512 8.936 -6.100 1.106 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.746 -9.870 -1.971 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.435 -5.813 -0.814 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.529 -7.405 -3.593 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.610 -8.609 -2.919 1.00 0.00 H new HETATM 0 HA PTR B 512 12.659 -6.693 -1.548 1.00 0.00 H new ATOM 2161 N PHE B 513 13.037 -6.164 -4.757 1.00 0.00 N ATOM 2162 CA PHE B 513 13.948 -6.297 -5.884 1.00 0.00 C ATOM 2163 C PHE B 513 15.271 -5.590 -5.604 1.00 0.00 C ATOM 2164 O PHE B 513 16.344 -6.189 -5.722 1.00 0.00 O ATOM 2165 CB PHE B 513 13.309 -5.743 -7.151 1.00 0.00 C ATOM 2166 CG PHE B 513 14.160 -5.898 -8.360 1.00 0.00 C ATOM 2167 CD1 PHE B 513 14.182 -7.104 -9.014 1.00 0.00 C ATOM 2168 CD2 PHE B 513 14.925 -4.854 -8.849 1.00 0.00 C ATOM 2169 CE1 PHE B 513 14.948 -7.282 -10.135 1.00 0.00 C ATOM 2170 CE2 PHE B 513 15.702 -5.023 -9.976 1.00 0.00 C ATOM 2171 CZ PHE B 513 15.714 -6.242 -10.622 1.00 0.00 C ATOM 0 H PHE B 513 12.218 -5.585 -4.944 1.00 0.00 H new ATOM 0 HA PHE B 513 14.154 -7.357 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE B 513 12.357 -6.247 -7.319 1.00 0.00 H new ATOM 0 HB3 PHE B 513 13.088 -4.686 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE B 513 13.587 -7.924 -8.640 1.00 0.00 H new ATOM 0 HD2 PHE B 513 14.914 -3.899 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE B 513 14.953 -8.237 -10.639 1.00 0.00 H new ATOM 0 HE2 PHE B 513 16.298 -4.205 -10.351 1.00 0.00 H new ATOM 0 HZ PHE B 513 16.320 -6.382 -11.505 1.00 0.00 H new ATOM 2181 N GLY B 514 15.188 -4.322 -5.231 1.00 0.00 N ATOM 2182 CA GLY B 514 16.380 -3.555 -4.954 1.00 0.00 C ATOM 2183 C GLY B 514 16.072 -2.114 -4.611 1.00 0.00 C ATOM 2184 O GLY B 514 15.683 -1.807 -3.483 1.00 0.00 O ATOM 0 H GLY B 514 14.313 -3.811 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.921 -4.015 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY B 514 17.039 -3.586 -5.822 1.00 0.00 H new ATOM 2188 N ILE B 515 16.246 -1.233 -5.584 1.00 0.00 N ATOM 2189 CA ILE B 515 16.045 0.193 -5.374 1.00 0.00 C ATOM 2190 C ILE B 515 14.621 0.609 -5.724 1.00 0.00 C ATOM 2191 O ILE B 515 14.150 0.268 -6.832 1.00 0.00 O ATOM 2192 CB ILE B 515 17.052 1.036 -6.190 1.00 0.00 C ATOM 2193 CG1 ILE B 515 17.065 0.597 -7.660 1.00 0.00 C ATOM 2194 CG2 ILE B 515 18.444 0.928 -5.584 1.00 0.00 C ATOM 2195 CD1 ILE B 515 18.022 1.385 -8.525 1.00 0.00 C ATOM 2196 OXT ILE B 515 13.983 1.295 -4.902 1.00 0.00 O ATOM 0 H ILE B 515 16.528 -1.482 -6.532 1.00 0.00 H new ATOM 0 HA ILE B 515 16.215 0.383 -4.314 1.00 0.00 H new ATOM 0 HB ILE B 515 16.738 2.079 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE B 515 17.329 -0.459 -7.711 1.00 0.00 H new ATOM 0 HG13 ILE B 515 16.059 0.694 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE B 515 19.143 1.526 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE B 515 18.423 1.294 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE B 515 18.764 -0.114 -5.591 1.00 0.00 H new ATOM 0 HD11 ILE B 515 17.974 1.016 -9.550 1.00 0.00 H new ATOM 0 HD12 ILE B 515 17.746 2.439 -8.506 1.00 0.00 H new ATOM 0 HD13 ILE B 515 19.037 1.268 -8.144 1.00 0.00 H new TER 2208 ILE B 515