USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=28 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 76 SER OG : rot 143:sc= 0.34 USER MOD Set 1.2: A 80 CYS SG : rot -157:sc= 1.9 USER MOD Set 2.1: A 69 SER OG : rot -64:sc= 1.46 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.63 K(o=-1.1,f=-4.7!) USER MOD Set 2.3: B 501 MET CE :methyl -167:sc= -2.3! (180deg=-1.53) USER MOD Set 2.4: B 502 THR OG1 : rot -131:sc= 0.325 USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-13!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= -0.116 X(o=-3.8,f=-3.8) USER MOD Set 4.2: A 12 THR OG1 : rot -170:sc= -3.66! USER MOD Single : A 8 SER OG : rot -25:sc= 0.171 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.0462 X(o=0.046,f=-0.046) USER MOD Single : A 17 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-1.9) USER MOD Single : A 19 ASN : amide:sc= -2.6! C(o=-2.6!,f=-8.9!) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.0519 (180deg=-0.624) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -12.3! C(o=-12!,f=-16!) USER MOD Single : A 31 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.47) USER MOD Single : A 35 SER OG : rot 38:sc= 0.0236 USER MOD Single : A 38 MET CE :methyl 160:sc= -11.6! (180deg=-14.4!) USER MOD Single : A 41 THR OG1 : rot -43:sc= 1.36 USER MOD Single : A 48 TYR OH : rot 30:sc= 1.31 USER MOD Single : A 49 THR OG1 : rot -84:sc= -1.63! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -57:sc= 0.436 USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -0.43 (180deg=-1.91!) USER MOD Single : A 59 TYR OH : rot 77:sc= -1.46! USER MOD Single : A 61 CYS SG : rot 180:sc= -3.08! USER MOD Single : A 65 TYR OH : rot -98:sc= -0.91! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 60:sc= -3.38! USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot -25:sc= 1.16 USER MOD Single : A 84 GLN : amide:sc= 0.891 K(o=0.89,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= 0.919 (180deg=0.706) USER MOD Single : A 91 CYS SG : rot 168:sc= -16.6! USER MOD Single : A 99 ASN : amide:sc= -0.524 X(o=-0.52,f=-0.072) USER MOD Single : A 100 MET CE :methyl 168:sc= -7.03! (180deg=-7.45!) USER MOD Single : A 102 GLN : amide:sc= -7.59! C(o=-7.6!,f=-11!) USER MOD Single : A 105 MET CE :methyl -128:sc= -4.98! (180deg=-9.13!) USER MOD Single : A 106 GLN : amide:sc= -3.62! K(o=-3.6!,f=-0.3) USER MOD Single : A 107 ASN : amide:sc= 1.22 K(o=1.2,f=-0.25) USER MOD Single : A 108 ASN : amide:sc= -3.01! C(o=-3!,f=-1.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00596 X(o=-0.006,f=-0.006) USER MOD Single : A 121 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 122 ASN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -1.72 K(o=-1.7,f=-12!) USER MOD Single : B 511 GLN : amide:sc= -3.97! K(o=-4!,f=-3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 7.299 27.143 -2.647 1.00 0.00 N ATOM 2 CA SER A 8 7.383 26.047 -3.628 1.00 0.00 C ATOM 3 C SER A 8 6.184 25.124 -3.494 1.00 0.00 C ATOM 4 O SER A 8 5.769 24.801 -2.381 1.00 0.00 O ATOM 5 CB SER A 8 8.683 25.263 -3.420 1.00 0.00 C ATOM 6 OG SER A 8 8.852 24.890 -2.060 1.00 0.00 O ATOM 0 HA SER A 8 7.381 26.471 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.675 24.370 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.530 25.869 -3.740 1.00 0.00 H new ATOM 0 HG SER A 8 8.355 25.510 -1.487 1.00 0.00 H new ATOM 14 N HIS A 9 5.614 24.717 -4.622 1.00 0.00 N ATOM 15 CA HIS A 9 4.510 23.776 -4.603 1.00 0.00 C ATOM 16 C HIS A 9 4.274 23.153 -5.977 1.00 0.00 C ATOM 17 O HIS A 9 3.258 23.405 -6.623 1.00 0.00 O ATOM 18 CB HIS A 9 3.237 24.435 -4.078 1.00 0.00 C ATOM 19 CG HIS A 9 2.095 23.480 -3.911 1.00 0.00 C ATOM 20 ND1 HIS A 9 0.829 23.728 -4.386 1.00 0.00 N ATOM 21 CD2 HIS A 9 2.040 22.264 -3.321 1.00 0.00 C ATOM 22 CE1 HIS A 9 0.048 22.709 -4.098 1.00 0.00 C ATOM 23 NE2 HIS A 9 0.757 21.803 -3.452 1.00 0.00 N ATOM 0 H HIS A 9 5.898 25.023 -5.553 1.00 0.00 H new ATOM 0 HA HIS A 9 4.783 22.970 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.450 24.905 -3.118 1.00 0.00 H new ATOM 0 HB3 HIS A 9 2.939 25.229 -4.763 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.857 21.751 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -0.999 22.628 -4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 9 0.408 20.909 -3.108 1.00 0.00 H new ATOM 32 N MET A 10 5.231 22.358 -6.428 1.00 0.00 N ATOM 33 CA MET A 10 5.036 21.537 -7.614 1.00 0.00 C ATOM 34 C MET A 10 4.412 20.211 -7.206 1.00 0.00 C ATOM 35 O MET A 10 3.339 19.835 -7.683 1.00 0.00 O ATOM 36 CB MET A 10 6.356 21.289 -8.338 1.00 0.00 C ATOM 37 CG MET A 10 6.161 20.633 -9.690 1.00 0.00 C ATOM 38 SD MET A 10 7.712 20.125 -10.457 1.00 0.00 S ATOM 39 CE MET A 10 7.099 19.355 -11.955 1.00 0.00 C ATOM 0 H MET A 10 6.149 22.263 -5.993 1.00 0.00 H new ATOM 0 HA MET A 10 4.373 22.066 -8.299 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.878 22.237 -8.469 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.993 20.657 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.516 19.762 -9.575 1.00 0.00 H new ATOM 0 HG3 MET A 10 5.644 21.327 -10.353 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.939 18.986 -12.544 1.00 0.00 H new ATOM 0 HE2 MET A 10 6.445 18.523 -11.695 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.540 20.087 -12.538 1.00 0.00 H new ATOM 49 N ASP A 11 5.091 19.507 -6.314 1.00 0.00 N ATOM 50 CA ASP A 11 4.554 18.286 -5.739 1.00 0.00 C ATOM 51 C ASP A 11 4.908 18.226 -4.259 1.00 0.00 C ATOM 52 O ASP A 11 5.073 17.154 -3.672 1.00 0.00 O ATOM 53 CB ASP A 11 5.076 17.059 -6.486 1.00 0.00 C ATOM 54 CG ASP A 11 4.272 15.808 -6.186 1.00 0.00 C ATOM 55 OD1 ASP A 11 3.089 15.746 -6.584 1.00 0.00 O ATOM 56 OD2 ASP A 11 4.817 14.877 -5.550 1.00 0.00 O ATOM 0 H ASP A 11 6.018 19.762 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 11 3.469 18.288 -5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.052 17.254 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.118 16.890 -6.216 1.00 0.00 H new ATOM 61 N THR A 12 5.031 19.405 -3.659 1.00 0.00 N ATOM 62 CA THR A 12 5.285 19.522 -2.236 1.00 0.00 C ATOM 63 C THR A 12 3.965 19.387 -1.502 1.00 0.00 C ATOM 64 O THR A 12 3.370 20.360 -1.030 1.00 0.00 O ATOM 65 CB THR A 12 5.966 20.857 -1.895 1.00 0.00 C ATOM 66 OG1 THR A 12 5.250 21.946 -2.483 1.00 0.00 O ATOM 67 CG2 THR A 12 7.399 20.866 -2.383 1.00 0.00 C ATOM 0 H THR A 12 4.957 20.298 -4.146 1.00 0.00 H new ATOM 0 HA THR A 12 5.967 18.731 -1.924 1.00 0.00 H new ATOM 0 HB THR A 12 5.963 20.972 -0.811 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.773 22.769 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.863 21.820 -2.132 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.951 20.057 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.416 20.728 -3.464 1.00 0.00 H new ATOM 75 N VAL A 13 3.513 18.158 -1.443 1.00 0.00 N ATOM 76 CA VAL A 13 2.160 17.845 -1.067 1.00 0.00 C ATOM 77 C VAL A 13 1.963 17.864 0.445 1.00 0.00 C ATOM 78 O VAL A 13 2.884 17.594 1.218 1.00 0.00 O ATOM 79 CB VAL A 13 1.784 16.478 -1.660 1.00 0.00 C ATOM 80 CG1 VAL A 13 1.732 15.396 -0.601 1.00 0.00 C ATOM 81 CG2 VAL A 13 0.482 16.569 -2.422 1.00 0.00 C ATOM 0 H VAL A 13 4.082 17.339 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 13 1.500 18.614 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 13 2.569 16.194 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.463 14.447 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.709 15.304 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.987 15.658 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.233 15.591 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.312 16.892 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.585 17.289 -3.233 1.00 0.00 H new ATOM 91 N PRO A 14 0.748 18.222 0.864 1.00 0.00 N ATOM 92 CA PRO A 14 0.334 18.204 2.262 1.00 0.00 C ATOM 93 C PRO A 14 -0.003 16.792 2.730 1.00 0.00 C ATOM 94 O PRO A 14 -0.065 15.858 1.931 1.00 0.00 O ATOM 95 CB PRO A 14 -0.933 19.077 2.283 1.00 0.00 C ATOM 96 CG PRO A 14 -1.149 19.549 0.878 1.00 0.00 C ATOM 97 CD PRO A 14 -0.326 18.679 -0.009 1.00 0.00 C ATOM 0 HA PRO A 14 1.122 18.563 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.792 18.506 2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.811 19.921 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.203 19.486 0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.855 20.593 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.906 17.844 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.061 19.231 -0.866 1.00 0.00 H new ATOM 105 N ASP A 15 -0.263 16.658 4.026 1.00 0.00 N ATOM 106 CA ASP A 15 -0.585 15.366 4.638 1.00 0.00 C ATOM 107 C ASP A 15 -1.952 14.861 4.186 1.00 0.00 C ATOM 108 O ASP A 15 -2.424 13.819 4.640 1.00 0.00 O ATOM 109 CB ASP A 15 -0.586 15.488 6.166 1.00 0.00 C ATOM 110 CG ASP A 15 -1.842 16.157 6.701 1.00 0.00 C ATOM 111 OD1 ASP A 15 -1.951 17.400 6.600 1.00 0.00 O ATOM 112 OD2 ASP A 15 -2.730 15.445 7.220 1.00 0.00 O ATOM 0 H ASP A 15 -0.258 17.438 4.684 1.00 0.00 H new ATOM 0 HA ASP A 15 0.178 14.656 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.493 14.495 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.287 16.059 6.481 1.00 0.00 H new ATOM 117 N ASN A 16 -2.584 15.605 3.295 1.00 0.00 N ATOM 118 CA ASN A 16 -3.925 15.288 2.846 1.00 0.00 C ATOM 119 C ASN A 16 -4.075 15.578 1.366 1.00 0.00 C ATOM 120 O ASN A 16 -3.097 15.927 0.699 1.00 0.00 O ATOM 121 CB ASN A 16 -4.955 16.091 3.647 1.00 0.00 C ATOM 122 CG ASN A 16 -4.829 17.589 3.423 1.00 0.00 C ATOM 123 OD1 ASN A 16 -5.465 18.151 2.528 1.00 0.00 O ATOM 124 ND2 ASN A 16 -4.006 18.245 4.229 1.00 0.00 N ATOM 0 H ASN A 16 -2.184 16.440 2.866 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.100 14.225 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.958 15.769 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.834 15.874 4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.881 19.251 4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.498 17.743 4.957 1.00 0.00 H new ATOM 131 N HIS A 17 -5.297 15.399 0.862 1.00 0.00 N ATOM 132 CA HIS A 17 -5.645 15.682 -0.531 1.00 0.00 C ATOM 133 C HIS A 17 -5.095 14.613 -1.479 1.00 0.00 C ATOM 134 O HIS A 17 -5.819 14.096 -2.330 1.00 0.00 O ATOM 135 CB HIS A 17 -5.205 17.104 -0.921 1.00 0.00 C ATOM 136 CG HIS A 17 -4.240 17.210 -2.064 1.00 0.00 C ATOM 137 ND1 HIS A 17 -4.627 17.449 -3.361 1.00 0.00 N ATOM 138 CD2 HIS A 17 -2.895 17.120 -2.084 1.00 0.00 C ATOM 139 CE1 HIS A 17 -3.561 17.503 -4.131 1.00 0.00 C ATOM 140 NE2 HIS A 17 -2.493 17.307 -3.385 1.00 0.00 N ATOM 0 H HIS A 17 -6.080 15.050 1.415 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.730 15.642 -0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.095 17.682 -1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.754 17.574 -0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.590 17.566 -3.677 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.253 16.935 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.562 17.679 -5.197 1.00 0.00 H new ATOM 149 N ARG A 18 -3.812 14.310 -1.349 1.00 0.00 N ATOM 150 CA ARG A 18 -3.193 13.272 -2.149 1.00 0.00 C ATOM 151 C ARG A 18 -2.895 12.062 -1.293 1.00 0.00 C ATOM 152 O ARG A 18 -3.475 11.017 -1.460 1.00 0.00 O ATOM 153 CB ARG A 18 -1.915 13.779 -2.821 1.00 0.00 C ATOM 154 CG ARG A 18 -1.403 12.854 -3.919 1.00 0.00 C ATOM 155 CD ARG A 18 -0.179 12.118 -3.508 1.00 0.00 C ATOM 156 NE ARG A 18 0.960 12.997 -3.260 1.00 0.00 N ATOM 157 CZ ARG A 18 1.944 13.216 -4.136 1.00 0.00 C ATOM 158 NH1 ARG A 18 1.951 12.596 -5.310 1.00 0.00 N ATOM 159 NH2 ARG A 18 2.935 14.043 -3.824 1.00 0.00 N ATOM 0 H ARG A 18 -3.181 14.772 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.893 12.986 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.103 14.766 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.139 13.899 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.183 12.140 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.190 13.438 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.392 11.545 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.085 11.401 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 18 1.007 13.475 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.201 11.947 -5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.706 12.769 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.944 14.509 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.688 14.212 -4.491 1.00 0.00 H new ATOM 173 N ASN A 19 -2.020 12.217 -0.342 1.00 0.00 N ATOM 174 CA ASN A 19 -1.466 11.052 0.327 1.00 0.00 C ATOM 175 C ASN A 19 -2.453 10.413 1.301 1.00 0.00 C ATOM 176 O ASN A 19 -2.486 9.190 1.443 1.00 0.00 O ATOM 177 CB ASN A 19 -0.176 11.439 1.029 1.00 0.00 C ATOM 178 CG ASN A 19 0.994 11.585 0.080 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.112 12.585 -0.615 1.00 0.00 O ATOM 180 ND2 ASN A 19 1.887 10.615 0.070 1.00 0.00 N ATOM 0 H ASN A 19 -1.673 13.117 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.255 10.297 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.326 12.379 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.063 10.685 1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.709 10.684 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.756 9.795 0.663 1.00 0.00 H new ATOM 187 N LYS A 20 -3.249 11.227 1.975 1.00 0.00 N ATOM 188 CA LYS A 20 -4.293 10.701 2.834 1.00 0.00 C ATOM 189 C LYS A 20 -5.524 10.382 1.991 1.00 0.00 C ATOM 190 O LYS A 20 -6.240 11.288 1.566 1.00 0.00 O ATOM 191 CB LYS A 20 -4.653 11.738 3.905 1.00 0.00 C ATOM 192 CG LYS A 20 -5.631 11.235 4.953 1.00 0.00 C ATOM 193 CD LYS A 20 -4.973 10.284 5.929 1.00 0.00 C ATOM 194 CE LYS A 20 -4.415 10.982 7.153 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.459 12.068 6.808 1.00 0.00 N ATOM 0 H LYS A 20 -3.192 12.245 1.944 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.941 9.793 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.739 12.062 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.079 12.615 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.048 12.083 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.463 10.732 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.700 9.536 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.168 9.752 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.237 11.398 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.914 10.250 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.969 12.386 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.761 11.712 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.977 12.867 6.390 1.00 0.00 H new ATOM 209 N PHE A 21 -5.767 9.100 1.744 1.00 0.00 N ATOM 210 CA PHE A 21 -6.963 8.686 1.013 1.00 0.00 C ATOM 211 C PHE A 21 -7.896 7.866 1.884 1.00 0.00 C ATOM 212 O PHE A 21 -7.516 6.827 2.398 1.00 0.00 O ATOM 213 CB PHE A 21 -6.576 7.885 -0.234 1.00 0.00 C ATOM 214 CG PHE A 21 -6.097 8.735 -1.374 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.556 10.035 -1.550 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.163 8.240 -2.260 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.086 10.808 -2.591 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.690 8.999 -3.282 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.145 10.285 -3.456 1.00 0.00 C ATOM 0 H PHE A 21 -5.159 8.334 2.035 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.492 9.590 0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.794 7.174 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.437 7.304 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.286 10.443 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.801 7.230 -2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.451 11.815 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.955 8.592 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.766 10.886 -4.269 1.00 0.00 H new ATOM 229 N LYS A 22 -9.116 8.346 2.059 1.00 0.00 N ATOM 230 CA LYS A 22 -10.139 7.575 2.751 1.00 0.00 C ATOM 231 C LYS A 22 -10.538 6.366 1.918 1.00 0.00 C ATOM 232 O LYS A 22 -11.250 6.492 0.917 1.00 0.00 O ATOM 233 CB LYS A 22 -11.364 8.433 3.034 1.00 0.00 C ATOM 234 CG LYS A 22 -11.419 9.011 4.429 1.00 0.00 C ATOM 235 CD LYS A 22 -11.585 7.938 5.495 1.00 0.00 C ATOM 236 CE LYS A 22 -12.956 7.296 5.450 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.147 6.336 6.568 1.00 0.00 N ATOM 0 H LYS A 22 -9.423 9.263 1.733 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.725 7.236 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.392 9.251 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.258 7.832 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.506 9.573 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.248 9.716 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.822 7.172 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.423 8.378 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.722 8.069 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.085 6.779 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.096 5.915 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.431 5.585 6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.048 6.835 7.475 1.00 0.00 H new ATOM 251 N VAL A 23 -10.067 5.201 2.325 1.00 0.00 N ATOM 252 CA VAL A 23 -10.362 3.972 1.629 1.00 0.00 C ATOM 253 C VAL A 23 -11.475 3.228 2.350 1.00 0.00 C ATOM 254 O VAL A 23 -12.069 3.733 3.299 1.00 0.00 O ATOM 255 CB VAL A 23 -9.101 3.081 1.542 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.961 3.860 0.911 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.696 2.569 2.916 1.00 0.00 C ATOM 0 H VAL A 23 -9.472 5.085 3.145 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.686 4.212 0.616 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.332 2.218 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.076 3.227 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.248 4.176 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.740 4.738 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.807 1.945 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.481 3.414 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.510 1.980 3.339 1.00 0.00 H new ATOM 267 N ILE A 24 -11.790 2.053 1.884 1.00 0.00 N ATOM 268 CA ILE A 24 -12.747 1.218 2.565 1.00 0.00 C ATOM 269 C ILE A 24 -12.170 -0.167 2.756 1.00 0.00 C ATOM 270 O ILE A 24 -12.038 -0.893 1.791 1.00 0.00 O ATOM 271 CB ILE A 24 -14.034 1.053 1.761 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.825 2.331 1.615 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.907 0.044 2.423 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.736 2.283 0.408 1.00 0.00 C ATOM 0 H ILE A 24 -11.399 1.648 1.033 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.968 1.702 3.516 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.730 0.737 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.418 2.498 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.141 3.175 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.826 -0.074 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.385 -0.912 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.149 0.378 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.290 3.219 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.139 2.142 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.436 1.454 0.513 1.00 0.00 H new ATOM 286 N ASN A 25 -11.823 -0.563 3.959 1.00 0.00 N ATOM 287 CA ASN A 25 -11.306 -1.908 4.125 1.00 0.00 C ATOM 288 C ASN A 25 -12.378 -2.906 3.737 1.00 0.00 C ATOM 289 O ASN A 25 -13.430 -2.968 4.371 1.00 0.00 O ATOM 290 CB ASN A 25 -10.881 -2.208 5.557 1.00 0.00 C ATOM 291 CG ASN A 25 -10.000 -1.152 6.181 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.006 0.013 5.784 1.00 0.00 O ATOM 293 ND2 ASN A 25 -9.264 -1.547 7.198 1.00 0.00 N ATOM 0 H ASN A 25 -11.884 -0.002 4.808 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.426 -1.988 3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.774 -2.328 6.171 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.352 -3.161 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.670 -0.878 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.287 -2.522 7.496 1.00 0.00 H new ATOM 300 N VAL A 26 -12.120 -3.671 2.694 1.00 0.00 N ATOM 301 CA VAL A 26 -13.095 -4.615 2.184 1.00 0.00 C ATOM 302 C VAL A 26 -12.413 -5.955 1.959 1.00 0.00 C ATOM 303 O VAL A 26 -11.386 -6.026 1.291 1.00 0.00 O ATOM 304 CB VAL A 26 -13.718 -4.076 0.875 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.524 -2.825 1.177 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.660 -3.768 -0.160 1.00 0.00 C ATOM 0 H VAL A 26 -11.238 -3.657 2.181 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.901 -4.748 2.905 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.368 -4.848 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.964 -2.444 0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.317 -3.065 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.871 -2.066 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.136 -3.392 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.977 -3.014 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.104 -4.676 -0.393 1.00 0.00 H new ATOM 316 N ASP A 27 -12.963 -7.031 2.499 1.00 0.00 N ATOM 317 CA ASP A 27 -12.235 -8.284 2.449 1.00 0.00 C ATOM 318 C ASP A 27 -13.034 -9.404 1.812 1.00 0.00 C ATOM 319 O ASP A 27 -14.157 -9.691 2.220 1.00 0.00 O ATOM 320 CB ASP A 27 -11.764 -8.700 3.845 1.00 0.00 C ATOM 321 CG ASP A 27 -10.784 -9.857 3.801 1.00 0.00 C ATOM 322 OD1 ASP A 27 -9.660 -9.669 3.288 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.123 -10.959 4.290 1.00 0.00 O ATOM 0 H ASP A 27 -13.873 -7.064 2.959 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.366 -8.108 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.295 -7.848 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.627 -8.981 4.449 1.00 0.00 H new ATOM 328 N ASP A 28 -12.416 -10.010 0.794 1.00 0.00 N ATOM 329 CA ASP A 28 -12.917 -11.207 0.096 1.00 0.00 C ATOM 330 C ASP A 28 -14.339 -11.046 -0.463 1.00 0.00 C ATOM 331 O ASP A 28 -14.899 -11.978 -1.033 1.00 0.00 O ATOM 332 CB ASP A 28 -12.843 -12.419 1.029 1.00 0.00 C ATOM 333 CG ASP A 28 -12.969 -13.730 0.286 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.132 -13.996 -0.610 1.00 0.00 O ATOM 335 OD2 ASP A 28 -13.887 -14.512 0.598 1.00 0.00 O ATOM 0 H ASP A 28 -11.528 -9.675 0.419 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.271 -11.358 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.896 -12.401 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.636 -12.349 1.774 1.00 0.00 H new ATOM 340 N ASP A 29 -14.898 -9.853 -0.347 1.00 0.00 N ATOM 341 CA ASP A 29 -16.247 -9.584 -0.832 1.00 0.00 C ATOM 342 C ASP A 29 -16.354 -8.165 -1.361 1.00 0.00 C ATOM 343 O ASP A 29 -17.370 -7.780 -1.938 1.00 0.00 O ATOM 344 CB ASP A 29 -17.276 -9.776 0.285 1.00 0.00 C ATOM 345 CG ASP A 29 -17.769 -11.202 0.402 1.00 0.00 C ATOM 346 OD1 ASP A 29 -17.066 -12.040 1.002 1.00 0.00 O ATOM 347 OD2 ASP A 29 -18.877 -11.490 -0.095 1.00 0.00 O ATOM 0 H ASP A 29 -14.438 -9.050 0.081 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.453 -10.289 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.834 -9.472 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.126 -9.118 0.104 1.00 0.00 H new ATOM 352 N GLY A 30 -15.288 -7.396 -1.173 1.00 0.00 N ATOM 353 CA GLY A 30 -15.330 -5.972 -1.452 1.00 0.00 C ATOM 354 C GLY A 30 -16.300 -5.288 -0.522 1.00 0.00 C ATOM 355 O GLY A 30 -16.761 -4.183 -0.783 1.00 0.00 O ATOM 0 H GLY A 30 -14.389 -7.736 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.336 -5.541 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.628 -5.805 -2.487 1.00 0.00 H new ATOM 359 N ASN A 31 -16.590 -5.961 0.583 1.00 0.00 N ATOM 360 CA ASN A 31 -17.528 -5.457 1.564 1.00 0.00 C ATOM 361 C ASN A 31 -16.810 -4.591 2.560 1.00 0.00 C ATOM 362 O ASN A 31 -15.821 -5.026 3.142 1.00 0.00 O ATOM 363 CB ASN A 31 -18.211 -6.606 2.306 1.00 0.00 C ATOM 364 CG ASN A 31 -19.482 -6.167 3.017 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.827 -6.695 4.073 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.203 -5.222 2.431 1.00 0.00 N ATOM 0 H ASN A 31 -16.182 -6.866 0.819 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.285 -4.874 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.450 -7.400 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.518 -7.027 3.035 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.076 -4.910 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.885 -4.807 1.555 1.00 0.00 H new ATOM 373 N GLU A 32 -17.263 -3.351 2.693 1.00 0.00 N ATOM 374 CA GLU A 32 -16.732 -2.432 3.682 1.00 0.00 C ATOM 375 C GLU A 32 -16.760 -3.035 5.088 1.00 0.00 C ATOM 376 O GLU A 32 -17.711 -2.845 5.845 1.00 0.00 O ATOM 377 CB GLU A 32 -17.540 -1.139 3.648 1.00 0.00 C ATOM 378 CG GLU A 32 -17.897 -0.719 2.232 1.00 0.00 C ATOM 379 CD GLU A 32 -19.272 -1.177 1.825 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.262 -0.565 2.263 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.359 -2.161 1.065 1.00 0.00 O ATOM 0 H GLU A 32 -18.008 -2.958 2.118 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.690 -2.227 3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.454 -1.269 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.969 -0.344 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.841 0.367 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.161 -1.127 1.539 1.00 0.00 H new ATOM 388 N LEU A 33 -15.703 -3.754 5.422 1.00 0.00 N ATOM 389 CA LEU A 33 -15.551 -4.388 6.721 1.00 0.00 C ATOM 390 C LEU A 33 -14.822 -3.441 7.664 1.00 0.00 C ATOM 391 O LEU A 33 -14.050 -3.852 8.535 1.00 0.00 O ATOM 392 CB LEU A 33 -14.785 -5.705 6.561 1.00 0.00 C ATOM 393 CG LEU A 33 -15.637 -6.949 6.256 1.00 0.00 C ATOM 394 CD1 LEU A 33 -16.923 -6.566 5.573 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.884 -7.897 5.348 1.00 0.00 C ATOM 0 H LEU A 33 -14.917 -3.916 4.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.530 -4.610 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.056 -5.583 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.224 -5.889 7.477 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.856 -7.434 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.507 -7.463 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.494 -5.901 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.699 -6.057 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.501 -8.771 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.647 -7.392 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.961 -8.211 5.835 1.00 0.00 H new ATOM 407 N GLY A 34 -15.084 -2.162 7.465 1.00 0.00 N ATOM 408 CA GLY A 34 -14.446 -1.124 8.239 1.00 0.00 C ATOM 409 C GLY A 34 -13.742 -0.141 7.338 1.00 0.00 C ATOM 410 O GLY A 34 -12.527 -0.190 7.198 1.00 0.00 O ATOM 0 H GLY A 34 -15.742 -1.819 6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.191 -0.604 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.730 -1.568 8.931 1.00 0.00 H new ATOM 414 N SER A 35 -14.502 0.734 6.697 1.00 0.00 N ATOM 415 CA SER A 35 -13.921 1.667 5.746 1.00 0.00 C ATOM 416 C SER A 35 -12.892 2.578 6.430 1.00 0.00 C ATOM 417 O SER A 35 -13.200 3.260 7.409 1.00 0.00 O ATOM 418 CB SER A 35 -15.016 2.464 5.041 1.00 0.00 C ATOM 419 OG SER A 35 -15.903 3.070 5.967 1.00 0.00 O ATOM 0 H SER A 35 -15.512 0.817 6.816 1.00 0.00 H new ATOM 0 HA SER A 35 -13.387 1.101 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.561 3.233 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.577 1.805 4.378 1.00 0.00 H new ATOM 0 HG SER A 35 -15.398 3.383 6.746 1.00 0.00 H new ATOM 425 N GLY A 36 -11.676 2.582 5.893 1.00 0.00 N ATOM 426 CA GLY A 36 -10.542 3.177 6.577 1.00 0.00 C ATOM 427 C GLY A 36 -9.955 4.371 5.837 1.00 0.00 C ATOM 428 O GLY A 36 -10.604 4.985 5.001 1.00 0.00 O ATOM 0 H GLY A 36 -11.454 2.178 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.851 3.492 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.767 2.422 6.707 1.00 0.00 H new ATOM 432 N ILE A 37 -8.740 4.721 6.202 1.00 0.00 N ATOM 433 CA ILE A 37 -7.895 5.605 5.423 1.00 0.00 C ATOM 434 C ILE A 37 -6.783 4.766 4.844 1.00 0.00 C ATOM 435 O ILE A 37 -6.519 3.701 5.336 1.00 0.00 O ATOM 436 CB ILE A 37 -7.197 6.674 6.298 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.175 7.670 6.918 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.168 7.441 5.479 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.534 8.818 5.998 1.00 0.00 C ATOM 0 H ILE A 37 -8.303 4.394 7.064 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.522 6.097 4.679 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.713 6.132 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.086 7.143 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.741 8.071 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.686 8.189 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.417 6.749 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.663 7.935 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.232 9.485 6.504 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.631 9.369 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.998 8.427 5.092 1.00 0.00 H new ATOM 451 N MET A 38 -6.120 5.258 3.847 1.00 0.00 N ATOM 452 CA MET A 38 -4.873 4.702 3.434 1.00 0.00 C ATOM 453 C MET A 38 -3.898 5.844 3.255 1.00 0.00 C ATOM 454 O MET A 38 -3.819 6.469 2.198 1.00 0.00 O ATOM 455 CB MET A 38 -5.038 3.872 2.188 1.00 0.00 C ATOM 456 CG MET A 38 -3.826 3.066 1.858 1.00 0.00 C ATOM 457 SD MET A 38 -3.462 1.876 3.137 1.00 0.00 S ATOM 458 CE MET A 38 -5.077 1.126 3.216 1.00 0.00 C ATOM 0 H MET A 38 -6.429 6.058 3.295 1.00 0.00 H new ATOM 0 HA MET A 38 -4.483 4.019 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.889 3.203 2.314 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.270 4.528 1.349 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.979 2.548 0.911 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.972 3.730 1.724 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.999 0.143 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.742 1.755 3.808 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.479 1.021 2.208 1.00 0.00 H new ATOM 468 N GLU A 39 -3.212 6.145 4.344 1.00 0.00 N ATOM 469 CA GLU A 39 -2.284 7.243 4.412 1.00 0.00 C ATOM 470 C GLU A 39 -0.980 6.817 3.768 1.00 0.00 C ATOM 471 O GLU A 39 -0.155 6.135 4.382 1.00 0.00 O ATOM 472 CB GLU A 39 -2.039 7.582 5.872 1.00 0.00 C ATOM 473 CG GLU A 39 -0.869 8.511 6.120 1.00 0.00 C ATOM 474 CD GLU A 39 -1.289 9.868 6.619 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.502 10.015 7.841 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.411 10.799 5.798 1.00 0.00 O ATOM 0 H GLU A 39 -3.291 5.621 5.215 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.684 8.114 3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.940 8.039 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.873 6.656 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.198 8.054 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.304 8.629 5.195 1.00 0.00 H new ATOM 483 N LEU A 40 -0.816 7.175 2.527 1.00 0.00 N ATOM 484 CA LEU A 40 0.357 6.788 1.791 1.00 0.00 C ATOM 485 C LEU A 40 1.549 7.649 2.173 1.00 0.00 C ATOM 486 O LEU A 40 1.529 8.859 1.986 1.00 0.00 O ATOM 487 CB LEU A 40 0.074 6.903 0.306 1.00 0.00 C ATOM 488 CG LEU A 40 -0.254 5.594 -0.399 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.564 5.864 -1.845 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.921 4.638 -0.292 1.00 0.00 C ATOM 0 H LEU A 40 -1.483 7.738 1.999 1.00 0.00 H new ATOM 0 HA LEU A 40 0.604 5.755 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.759 7.591 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.942 7.350 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.123 5.139 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.799 4.926 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.419 6.537 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.300 6.326 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.678 3.704 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.798 5.086 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.132 4.436 0.758 1.00 0.00 H new ATOM 502 N THR A 41 2.577 7.031 2.733 1.00 0.00 N ATOM 503 CA THR A 41 3.797 7.753 3.045 1.00 0.00 C ATOM 504 C THR A 41 5.000 7.096 2.378 1.00 0.00 C ATOM 505 O THR A 41 4.832 6.238 1.509 1.00 0.00 O ATOM 506 CB THR A 41 4.050 7.844 4.549 1.00 0.00 C ATOM 507 OG1 THR A 41 4.346 6.550 5.090 1.00 0.00 O ATOM 508 CG2 THR A 41 2.853 8.449 5.269 1.00 0.00 C ATOM 0 H THR A 41 2.590 6.041 2.978 1.00 0.00 H new ATOM 0 HA THR A 41 3.664 8.764 2.659 1.00 0.00 H new ATOM 0 HB THR A 41 4.910 8.496 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.731 5.888 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.060 8.502 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.666 9.452 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.974 7.827 5.100 1.00 0.00 H new ATOM 516 N ASP A 42 6.202 7.503 2.797 1.00 0.00 N ATOM 517 CA ASP A 42 7.454 6.964 2.257 1.00 0.00 C ATOM 518 C ASP A 42 7.492 5.465 2.310 1.00 0.00 C ATOM 519 O ASP A 42 7.766 4.808 1.311 1.00 0.00 O ATOM 520 CB ASP A 42 8.661 7.472 3.042 1.00 0.00 C ATOM 521 CG ASP A 42 8.839 8.976 3.013 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.292 9.647 2.110 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.523 9.503 3.915 1.00 0.00 O ATOM 0 H ASP A 42 6.335 8.213 3.517 1.00 0.00 H new ATOM 0 HA ASP A 42 7.497 7.301 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.566 7.150 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.561 7.004 2.644 1.00 0.00 H new ATOM 528 N THR A 43 7.241 4.908 3.468 1.00 0.00 N ATOM 529 CA THR A 43 7.453 3.499 3.612 1.00 0.00 C ATOM 530 C THR A 43 6.310 2.798 4.296 1.00 0.00 C ATOM 531 O THR A 43 6.285 1.583 4.322 1.00 0.00 O ATOM 532 CB THR A 43 8.716 3.193 4.414 1.00 0.00 C ATOM 533 OG1 THR A 43 8.519 3.521 5.793 1.00 0.00 O ATOM 534 CG2 THR A 43 9.909 3.964 3.891 1.00 0.00 C ATOM 0 H THR A 43 6.901 5.394 4.298 1.00 0.00 H new ATOM 0 HA THR A 43 7.546 3.130 2.591 1.00 0.00 H new ATOM 0 HB THR A 43 8.917 2.127 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.335 3.319 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.789 3.721 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.089 3.694 2.850 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.709 5.033 3.959 1.00 0.00 H new ATOM 542 N GLU A 44 5.387 3.524 4.881 1.00 0.00 N ATOM 543 CA GLU A 44 4.286 2.866 5.543 1.00 0.00 C ATOM 544 C GLU A 44 2.960 3.381 5.045 1.00 0.00 C ATOM 545 O GLU A 44 2.696 4.582 4.998 1.00 0.00 O ATOM 546 CB GLU A 44 4.388 2.981 7.062 1.00 0.00 C ATOM 547 CG GLU A 44 5.453 2.085 7.670 1.00 0.00 C ATOM 548 CD GLU A 44 4.937 1.205 8.792 1.00 0.00 C ATOM 549 OE1 GLU A 44 4.856 1.683 9.943 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.633 0.021 8.535 1.00 0.00 O ATOM 0 H GLU A 44 5.374 4.543 4.913 1.00 0.00 H new ATOM 0 HA GLU A 44 4.347 1.807 5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.603 4.017 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.422 2.733 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.874 1.453 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.265 2.706 8.050 1.00 0.00 H new ATOM 557 N LEU A 45 2.151 2.442 4.647 1.00 0.00 N ATOM 558 CA LEU A 45 0.807 2.698 4.223 1.00 0.00 C ATOM 559 C LEU A 45 -0.090 2.723 5.433 1.00 0.00 C ATOM 560 O LEU A 45 -0.586 1.696 5.889 1.00 0.00 O ATOM 561 CB LEU A 45 0.409 1.606 3.244 1.00 0.00 C ATOM 562 CG LEU A 45 0.572 1.945 1.796 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.943 0.710 1.016 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.714 2.496 1.280 1.00 0.00 C ATOM 0 H LEU A 45 2.414 1.457 4.608 1.00 0.00 H new ATOM 0 HA LEU A 45 0.718 3.663 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.001 0.716 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.634 1.345 3.422 1.00 0.00 H new ATOM 0 HG LEU A 45 1.365 2.684 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.060 0.966 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.881 0.307 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.157 -0.038 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.605 2.746 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.502 1.752 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.976 3.393 1.841 1.00 0.00 H new ATOM 576 N ILE A 46 -0.267 3.913 5.964 1.00 0.00 N ATOM 577 CA ILE A 46 -0.934 4.078 7.227 1.00 0.00 C ATOM 578 C ILE A 46 -2.463 4.096 7.018 1.00 0.00 C ATOM 579 O ILE A 46 -3.076 5.137 6.818 1.00 0.00 O ATOM 580 CB ILE A 46 -0.441 5.369 7.947 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.075 5.374 8.118 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.115 5.496 9.277 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.652 4.014 8.310 1.00 0.00 C ATOM 0 H ILE A 46 0.046 4.783 5.534 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.689 3.233 7.870 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.703 6.224 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.531 5.834 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.335 5.995 8.975 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.767 6.400 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.194 5.553 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.876 4.628 9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.733 4.090 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.223 3.560 9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.422 3.396 7.442 1.00 0.00 H new ATOM 595 N LEU A 47 -3.070 2.925 7.090 1.00 0.00 N ATOM 596 CA LEU A 47 -4.512 2.765 6.916 1.00 0.00 C ATOM 597 C LEU A 47 -5.245 3.166 8.201 1.00 0.00 C ATOM 598 O LEU A 47 -5.150 2.467 9.203 1.00 0.00 O ATOM 599 CB LEU A 47 -4.824 1.302 6.657 1.00 0.00 C ATOM 600 CG LEU A 47 -6.273 0.867 6.911 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.164 1.039 5.692 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.255 -0.566 7.310 1.00 0.00 C ATOM 0 H LEU A 47 -2.578 2.050 7.272 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.833 3.392 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.574 1.076 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.169 0.695 7.282 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.688 1.501 7.694 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.176 0.715 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.179 2.088 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.776 0.437 4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.274 -0.904 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.817 -1.161 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.661 -0.684 8.216 1.00 0.00 H new ATOM 614 N TYR A 48 -5.984 4.257 8.199 1.00 0.00 N ATOM 615 CA TYR A 48 -6.725 4.629 9.408 1.00 0.00 C ATOM 616 C TYR A 48 -8.048 3.892 9.425 1.00 0.00 C ATOM 617 O TYR A 48 -8.995 4.323 8.783 1.00 0.00 O ATOM 618 CB TYR A 48 -7.022 6.125 9.497 1.00 0.00 C ATOM 619 CG TYR A 48 -5.822 6.969 9.735 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.787 6.870 8.875 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.723 7.855 10.800 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.669 7.602 9.019 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.584 8.619 10.970 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.550 8.487 10.067 1.00 0.00 C ATOM 625 OH TYR A 48 -2.406 9.239 10.205 1.00 0.00 O ATOM 0 H TYR A 48 -6.093 4.890 7.406 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.094 4.361 10.255 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.500 6.445 8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.738 6.295 10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.859 6.182 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.541 7.947 11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.861 7.496 8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.505 9.309 11.797 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.017 9.408 9.321 1.00 0.00 H new ATOM 635 N THR A 49 -8.132 2.809 10.162 1.00 0.00 N ATOM 636 CA THR A 49 -9.351 2.007 10.173 1.00 0.00 C ATOM 637 C THR A 49 -10.502 2.725 10.866 1.00 0.00 C ATOM 638 O THR A 49 -10.400 3.900 11.226 1.00 0.00 O ATOM 639 CB THR A 49 -9.148 0.677 10.878 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.471 0.897 12.102 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.376 -0.282 10.012 1.00 0.00 C ATOM 0 H THR A 49 -7.383 2.459 10.759 1.00 0.00 H new ATOM 0 HA THR A 49 -9.597 1.840 9.124 1.00 0.00 H new ATOM 0 HB THR A 49 -10.122 0.230 11.077 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.505 0.935 11.939 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.245 -1.226 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.924 -0.458 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.399 0.142 9.780 1.00 0.00 H new ATOM 649 N ARG A 50 -11.588 2.004 11.068 1.00 0.00 N ATOM 650 CA ARG A 50 -12.715 2.522 11.808 1.00 0.00 C ATOM 651 C ARG A 50 -12.426 2.532 13.299 1.00 0.00 C ATOM 652 O ARG A 50 -12.263 3.584 13.920 1.00 0.00 O ATOM 653 CB ARG A 50 -13.919 1.644 11.556 1.00 0.00 C ATOM 654 CG ARG A 50 -14.948 2.271 10.663 1.00 0.00 C ATOM 655 CD ARG A 50 -16.314 1.962 11.202 1.00 0.00 C ATOM 656 NE ARG A 50 -17.376 2.558 10.406 1.00 0.00 N ATOM 657 CZ ARG A 50 -18.659 2.236 10.529 1.00 0.00 C ATOM 658 NH1 ARG A 50 -19.046 1.365 11.455 1.00 0.00 N ATOM 659 NH2 ARG A 50 -19.555 2.798 9.735 1.00 0.00 N ATOM 0 H ARG A 50 -11.711 1.051 10.726 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.905 3.543 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.587 0.707 11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.383 1.396 12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.797 3.349 10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.848 1.889 9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.452 0.881 11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.387 2.324 12.228 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.121 3.263 9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.357 0.940 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.032 1.121 11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.260 3.475 9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.541 2.554 9.826 1.00 0.00 H new ATOM 673 N LYS A 51 -12.361 1.340 13.857 1.00 0.00 N ATOM 674 CA LYS A 51 -12.218 1.152 15.287 1.00 0.00 C ATOM 675 C LYS A 51 -10.892 0.488 15.639 1.00 0.00 C ATOM 676 O LYS A 51 -10.590 0.256 16.809 1.00 0.00 O ATOM 677 CB LYS A 51 -13.399 0.335 15.766 1.00 0.00 C ATOM 678 CG LYS A 51 -14.719 1.078 15.628 1.00 0.00 C ATOM 679 CD LYS A 51 -14.914 2.029 16.788 1.00 0.00 C ATOM 680 CE LYS A 51 -14.438 3.429 16.486 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.643 4.329 17.647 1.00 0.00 N ATOM 0 H LYS A 51 -12.406 0.469 13.328 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.208 2.119 15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.448 -0.594 15.198 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.248 0.062 16.810 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.735 1.632 14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.543 0.365 15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.971 2.059 17.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.378 1.648 17.658 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.381 3.407 16.222 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.974 3.819 15.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.306 5.284 17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.655 4.367 17.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.111 3.968 18.464 1.00 0.00 H new ATOM 695 N ARG A 52 -10.097 0.216 14.617 1.00 0.00 N ATOM 696 CA ARG A 52 -8.871 -0.556 14.763 1.00 0.00 C ATOM 697 C ARG A 52 -7.625 0.353 14.783 1.00 0.00 C ATOM 698 O ARG A 52 -6.493 -0.123 14.910 1.00 0.00 O ATOM 699 CB ARG A 52 -8.834 -1.565 13.605 1.00 0.00 C ATOM 700 CG ARG A 52 -7.590 -2.419 13.513 1.00 0.00 C ATOM 701 CD ARG A 52 -7.453 -3.302 14.737 1.00 0.00 C ATOM 702 NE ARG A 52 -8.457 -4.368 14.761 1.00 0.00 N ATOM 703 CZ ARG A 52 -8.916 -4.932 15.878 1.00 0.00 C ATOM 704 NH1 ARG A 52 -8.472 -4.526 17.061 1.00 0.00 N ATOM 705 NH2 ARG A 52 -9.823 -5.898 15.808 1.00 0.00 N ATOM 0 H ARG A 52 -10.282 0.524 13.662 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.860 -1.081 15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.698 -2.224 13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.946 -1.018 12.669 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.633 -3.037 12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.711 -1.781 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.456 -3.743 14.756 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.550 -2.693 15.636 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.827 -4.698 13.870 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.778 -3.781 17.117 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.825 -4.959 17.914 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.168 -6.208 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.175 -6.330 16.662 1.00 0.00 H new ATOM 719 N ASP A 53 -7.862 1.665 14.679 1.00 0.00 N ATOM 720 CA ASP A 53 -6.808 2.680 14.662 1.00 0.00 C ATOM 721 C ASP A 53 -5.915 2.564 13.424 1.00 0.00 C ATOM 722 O ASP A 53 -6.044 1.635 12.626 1.00 0.00 O ATOM 723 CB ASP A 53 -6.026 2.623 15.980 1.00 0.00 C ATOM 724 CG ASP A 53 -4.652 3.277 15.961 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.559 4.486 15.658 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.655 2.589 16.265 1.00 0.00 O ATOM 0 H ASP A 53 -8.802 2.054 14.604 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.264 3.667 14.586 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.624 3.099 16.757 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.907 1.578 16.265 1.00 0.00 H new ATOM 731 N SER A 54 -5.070 3.561 13.247 1.00 0.00 N ATOM 732 CA SER A 54 -4.138 3.629 12.135 1.00 0.00 C ATOM 733 C SER A 54 -3.309 2.355 12.033 1.00 0.00 C ATOM 734 O SER A 54 -2.352 2.141 12.774 1.00 0.00 O ATOM 735 CB SER A 54 -3.230 4.852 12.265 1.00 0.00 C ATOM 736 OG SER A 54 -2.606 4.912 13.538 1.00 0.00 O ATOM 0 H SER A 54 -5.010 4.359 13.880 1.00 0.00 H new ATOM 0 HA SER A 54 -4.719 3.726 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.467 4.823 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.815 5.758 12.104 1.00 0.00 H new ATOM 0 HG SER A 54 -3.291 4.913 14.239 1.00 0.00 H new ATOM 742 N VAL A 55 -3.733 1.503 11.133 1.00 0.00 N ATOM 743 CA VAL A 55 -2.977 0.331 10.749 1.00 0.00 C ATOM 744 C VAL A 55 -1.904 0.768 9.784 1.00 0.00 C ATOM 745 O VAL A 55 -2.023 1.823 9.178 1.00 0.00 O ATOM 746 CB VAL A 55 -3.848 -0.702 10.051 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.133 -2.007 9.940 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.154 -0.903 10.765 1.00 0.00 C ATOM 0 H VAL A 55 -4.621 1.602 10.640 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.563 -0.123 11.649 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.060 -0.320 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.774 -2.732 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.217 -1.872 9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.885 -2.372 10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.747 -1.648 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.964 -1.247 11.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.700 0.040 10.797 1.00 0.00 H new ATOM 758 N LYS A 56 -0.856 -0.005 9.629 1.00 0.00 N ATOM 759 CA LYS A 56 0.242 0.442 8.776 1.00 0.00 C ATOM 760 C LYS A 56 0.695 -0.680 7.844 1.00 0.00 C ATOM 761 O LYS A 56 0.643 -1.856 8.215 1.00 0.00 O ATOM 762 CB LYS A 56 1.475 0.917 9.564 1.00 0.00 C ATOM 763 CG LYS A 56 1.262 1.520 10.954 1.00 0.00 C ATOM 764 CD LYS A 56 0.145 2.540 11.056 1.00 0.00 C ATOM 765 CE LYS A 56 0.664 3.899 11.467 1.00 0.00 C ATOM 766 NZ LYS A 56 1.674 3.828 12.555 1.00 0.00 N ATOM 0 H LYS A 56 -0.731 -0.920 10.063 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.158 1.287 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.149 0.067 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.992 1.659 8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.057 0.711 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.192 1.991 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.363 2.620 10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.594 2.199 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.105 4.391 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.172 4.518 11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.591 4.669 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.511 2.973 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.628 3.792 12.142 1.00 0.00 H new ATOM 780 N TRP A 57 1.135 -0.314 6.638 1.00 0.00 N ATOM 781 CA TRP A 57 1.748 -1.270 5.720 1.00 0.00 C ATOM 782 C TRP A 57 3.068 -0.782 5.184 1.00 0.00 C ATOM 783 O TRP A 57 3.120 0.032 4.265 1.00 0.00 O ATOM 784 CB TRP A 57 0.822 -1.646 4.575 1.00 0.00 C ATOM 785 CG TRP A 57 -0.060 -2.758 4.994 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.185 -4.087 4.855 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.297 -2.640 5.672 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.848 -4.813 5.396 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.772 -3.940 5.907 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.052 -1.554 6.093 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.972 -4.176 6.553 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.238 -1.792 6.729 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.690 -3.091 6.957 1.00 0.00 C ATOM 0 H TRP A 57 1.077 0.638 6.277 1.00 0.00 H new ATOM 0 HA TRP A 57 1.935 -2.167 6.310 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.223 -0.784 4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.406 -1.941 3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.062 -4.510 4.388 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.916 -5.831 5.414 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.710 -0.544 5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.326 -5.181 6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.837 -0.957 7.062 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.631 -3.241 7.466 1.00 0.00 H new ATOM 804 N HIS A 58 4.142 -1.291 5.757 1.00 0.00 N ATOM 805 CA HIS A 58 5.462 -0.919 5.312 1.00 0.00 C ATOM 806 C HIS A 58 5.715 -1.462 3.894 1.00 0.00 C ATOM 807 O HIS A 58 5.320 -2.574 3.549 1.00 0.00 O ATOM 808 CB HIS A 58 6.540 -1.409 6.285 1.00 0.00 C ATOM 809 CG HIS A 58 7.873 -0.811 5.985 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.772 -1.385 5.119 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.401 0.374 6.344 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.790 -0.561 4.935 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.591 0.509 5.675 1.00 0.00 N ATOM 0 H HIS A 58 4.122 -1.959 6.527 1.00 0.00 H new ATOM 0 HA HIS A 58 5.518 0.169 5.286 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.250 -1.157 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.609 -2.496 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.968 1.086 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.638 -0.736 4.289 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.220 1.309 5.741 1.00 0.00 H new ATOM 822 N TYR A 59 6.373 -0.639 3.092 1.00 0.00 N ATOM 823 CA TYR A 59 6.605 -0.884 1.669 1.00 0.00 C ATOM 824 C TYR A 59 7.446 -2.122 1.406 1.00 0.00 C ATOM 825 O TYR A 59 7.360 -2.725 0.340 1.00 0.00 O ATOM 826 CB TYR A 59 7.305 0.332 1.083 1.00 0.00 C ATOM 827 CG TYR A 59 6.374 1.428 0.672 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.254 1.706 1.420 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.604 2.166 -0.467 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.378 2.697 1.056 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.743 3.165 -0.847 1.00 0.00 C ATOM 832 CZ TYR A 59 4.632 3.432 -0.084 1.00 0.00 C ATOM 833 OH TYR A 59 3.784 4.435 -0.462 1.00 0.00 O ATOM 0 H TYR A 59 6.772 0.241 3.417 1.00 0.00 H new ATOM 0 HA TYR A 59 5.637 -1.057 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.009 0.723 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.889 0.021 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.060 1.132 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.475 1.956 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.501 2.899 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.938 3.738 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 59 3.944 5.226 0.095 1.00 0.00 H new ATOM 843 N LEU A 60 8.246 -2.502 2.385 1.00 0.00 N ATOM 844 CA LEU A 60 9.101 -3.678 2.278 1.00 0.00 C ATOM 845 C LEU A 60 8.294 -4.918 2.578 1.00 0.00 C ATOM 846 O LEU A 60 8.833 -5.979 2.890 1.00 0.00 O ATOM 847 CB LEU A 60 10.294 -3.573 3.226 1.00 0.00 C ATOM 848 CG LEU A 60 11.627 -3.265 2.555 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.109 -4.444 1.722 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.497 -2.029 1.700 1.00 0.00 C ATOM 0 H LEU A 60 8.324 -2.009 3.275 1.00 0.00 H new ATOM 0 HA LEU A 60 9.488 -3.739 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.087 -2.796 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.388 -4.512 3.772 1.00 0.00 H new ATOM 0 HG LEU A 60 12.370 -3.083 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.062 -4.195 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.236 -5.315 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.374 -4.668 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.453 -1.814 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.739 -2.194 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.205 -1.184 2.324 1.00 0.00 H new ATOM 862 N CYS A 61 6.993 -4.762 2.523 1.00 0.00 N ATOM 863 CA CYS A 61 6.100 -5.840 2.826 1.00 0.00 C ATOM 864 C CYS A 61 5.070 -6.021 1.718 1.00 0.00 C ATOM 865 O CYS A 61 4.555 -7.121 1.527 1.00 0.00 O ATOM 866 CB CYS A 61 5.417 -5.565 4.164 1.00 0.00 C ATOM 867 SG CYS A 61 4.347 -6.894 4.743 1.00 0.00 S ATOM 0 H CYS A 61 6.532 -3.889 2.268 1.00 0.00 H new ATOM 0 HA CYS A 61 6.669 -6.767 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.183 -5.378 4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.827 -4.653 4.076 1.00 0.00 H new ATOM 0 HG CYS A 61 3.820 -6.561 5.884 1.00 0.00 H new ATOM 873 N LEU A 62 4.785 -4.945 0.989 1.00 0.00 N ATOM 874 CA LEU A 62 3.820 -4.980 -0.105 1.00 0.00 C ATOM 875 C LEU A 62 4.303 -5.875 -1.247 1.00 0.00 C ATOM 876 O LEU A 62 4.927 -5.384 -2.178 1.00 0.00 O ATOM 877 CB LEU A 62 3.609 -3.580 -0.690 1.00 0.00 C ATOM 878 CG LEU A 62 2.867 -2.522 0.147 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.815 -1.854 -0.708 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.208 -3.088 1.388 1.00 0.00 C ATOM 0 H LEU A 62 5.213 -4.031 1.139 1.00 0.00 H new ATOM 0 HA LEU A 62 2.892 -5.370 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.591 -3.175 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.068 -3.695 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 62 3.618 -1.806 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.288 -1.104 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.292 -1.373 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.105 -2.602 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.704 -2.288 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.479 -3.846 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.966 -3.539 2.029 1.00 0.00 H new ATOM 892 N ARG A 63 4.011 -7.171 -1.186 1.00 0.00 N ATOM 893 CA ARG A 63 4.328 -8.073 -2.291 1.00 0.00 C ATOM 894 C ARG A 63 3.645 -7.587 -3.555 1.00 0.00 C ATOM 895 O ARG A 63 4.305 -7.179 -4.505 1.00 0.00 O ATOM 896 CB ARG A 63 3.866 -9.511 -2.027 1.00 0.00 C ATOM 897 CG ARG A 63 4.610 -10.249 -0.932 1.00 0.00 C ATOM 898 CD ARG A 63 4.146 -11.698 -0.868 1.00 0.00 C ATOM 899 NE ARG A 63 4.718 -12.419 0.264 1.00 0.00 N ATOM 900 CZ ARG A 63 4.037 -13.280 1.023 1.00 0.00 C ATOM 901 NH1 ARG A 63 2.777 -13.598 0.733 1.00 0.00 N ATOM 902 NH2 ARG A 63 4.633 -13.839 2.066 1.00 0.00 N ATOM 0 H ARG A 63 3.558 -7.619 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 63 5.413 -8.073 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.806 -9.492 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.961 -10.079 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.683 -10.211 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.438 -9.761 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.058 -11.725 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.420 -12.205 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 63 5.699 -12.255 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.320 -13.182 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.269 -14.258 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.603 -13.610 2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.122 -14.498 2.653 1.00 0.00 H new ATOM 916 N ARG A 64 2.316 -7.612 -3.553 1.00 0.00 N ATOM 917 CA ARG A 64 1.572 -7.218 -4.740 1.00 0.00 C ATOM 918 C ARG A 64 0.490 -6.202 -4.416 1.00 0.00 C ATOM 919 O ARG A 64 -0.434 -6.475 -3.677 1.00 0.00 O ATOM 920 CB ARG A 64 0.987 -8.449 -5.435 1.00 0.00 C ATOM 921 CG ARG A 64 -0.163 -9.144 -4.753 1.00 0.00 C ATOM 922 CD ARG A 64 -0.559 -10.365 -5.564 1.00 0.00 C ATOM 923 NE ARG A 64 0.297 -11.504 -5.229 1.00 0.00 N ATOM 924 CZ ARG A 64 0.755 -12.397 -6.095 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.445 -12.304 -7.370 1.00 0.00 N ATOM 926 NH2 ARG A 64 1.532 -13.386 -5.681 1.00 0.00 N ATOM 0 H ARG A 64 1.743 -7.895 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 64 2.267 -6.733 -5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.659 -8.151 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.789 -9.175 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.122 -9.440 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.010 -8.465 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.601 -10.616 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.479 -10.143 -6.628 1.00 0.00 H new ATOM 0 HE ARG A 64 0.562 -11.620 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.150 -11.542 -7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.800 -12.993 -8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.779 -13.462 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.883 -14.072 -6.349 1.00 0.00 H new ATOM 940 N TYR A 65 0.586 -5.044 -5.026 1.00 0.00 N ATOM 941 CA TYR A 65 -0.293 -3.934 -4.707 1.00 0.00 C ATOM 942 C TYR A 65 -0.945 -3.412 -5.958 1.00 0.00 C ATOM 943 O TYR A 65 -0.322 -3.367 -7.012 1.00 0.00 O ATOM 944 CB TYR A 65 0.474 -2.834 -3.979 1.00 0.00 C ATOM 945 CG TYR A 65 1.759 -2.425 -4.655 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.862 -3.263 -4.653 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.877 -1.198 -5.280 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.034 -2.891 -5.264 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.038 -0.819 -5.884 1.00 0.00 C ATOM 950 CZ TYR A 65 4.120 -1.665 -5.882 1.00 0.00 C ATOM 951 OH TYR A 65 5.288 -1.287 -6.506 1.00 0.00 O ATOM 0 H TYR A 65 1.271 -4.841 -5.754 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.078 -4.287 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.169 -1.959 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.700 -3.172 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.799 -4.224 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.032 -0.526 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.884 -3.557 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.107 0.146 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 65 5.807 -0.711 -5.907 1.00 0.00 H new ATOM 961 N GLY A 66 -2.201 -3.032 -5.847 1.00 0.00 N ATOM 962 CA GLY A 66 -2.976 -2.809 -7.031 1.00 0.00 C ATOM 963 C GLY A 66 -4.013 -1.743 -6.918 1.00 0.00 C ATOM 964 O GLY A 66 -4.093 -0.998 -5.943 1.00 0.00 O ATOM 0 H GLY A 66 -2.691 -2.876 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.300 -2.551 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.466 -3.743 -7.307 1.00 0.00 H new ATOM 968 N TYR A 67 -4.853 -1.774 -7.917 1.00 0.00 N ATOM 969 CA TYR A 67 -5.884 -0.795 -8.148 1.00 0.00 C ATOM 970 C TYR A 67 -6.872 -1.372 -9.143 1.00 0.00 C ATOM 971 O TYR A 67 -6.482 -1.816 -10.224 1.00 0.00 O ATOM 972 CB TYR A 67 -5.279 0.487 -8.733 1.00 0.00 C ATOM 973 CG TYR A 67 -6.166 1.147 -9.766 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.434 1.577 -9.425 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.745 1.321 -11.078 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.266 2.158 -10.346 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.572 1.909 -12.016 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.834 2.324 -11.645 1.00 0.00 C ATOM 979 OH TYR A 67 -8.666 2.902 -12.572 1.00 0.00 O ATOM 0 H TYR A 67 -4.838 -2.511 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.377 -0.554 -7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.087 1.192 -7.924 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.316 0.252 -9.187 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.778 1.452 -8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.758 0.992 -11.369 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.254 2.484 -10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.233 2.043 -13.033 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.210 2.946 -13.438 1.00 0.00 H new ATOM 989 N ASP A 68 -8.128 -1.387 -8.769 1.00 0.00 N ATOM 990 CA ASP A 68 -9.194 -1.567 -9.716 1.00 0.00 C ATOM 991 C ASP A 68 -10.322 -0.636 -9.304 1.00 0.00 C ATOM 992 O ASP A 68 -10.172 -0.009 -8.273 1.00 0.00 O ATOM 993 CB ASP A 68 -9.605 -3.028 -9.820 1.00 0.00 C ATOM 994 CG ASP A 68 -10.604 -3.260 -10.955 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.822 -3.033 -10.775 1.00 0.00 O ATOM 996 OD2 ASP A 68 -10.164 -3.648 -12.058 1.00 0.00 O ATOM 0 H ASP A 68 -8.436 -1.275 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.877 -1.306 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.720 -3.643 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.046 -3.349 -8.877 1.00 0.00 H new ATOM 1001 N SER A 69 -11.358 -0.452 -10.132 1.00 0.00 N ATOM 1002 CA SER A 69 -12.490 0.431 -9.830 1.00 0.00 C ATOM 1003 C SER A 69 -12.724 0.648 -8.321 1.00 0.00 C ATOM 1004 O SER A 69 -13.377 -0.161 -7.656 1.00 0.00 O ATOM 1005 CB SER A 69 -13.760 -0.109 -10.495 1.00 0.00 C ATOM 1006 OG SER A 69 -13.862 -1.520 -10.351 1.00 0.00 O ATOM 0 H SER A 69 -11.434 -0.916 -11.037 1.00 0.00 H new ATOM 0 HA SER A 69 -12.238 1.410 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.635 0.367 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.757 0.151 -11.554 1.00 0.00 H new ATOM 0 HG SER A 69 -13.123 -1.952 -10.828 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.168 1.761 -7.811 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.177 2.120 -6.381 1.00 0.00 C ATOM 1014 C ASN A 70 -11.839 0.944 -5.458 1.00 0.00 C ATOM 1015 O ASN A 70 -12.414 0.792 -4.392 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.476 2.795 -5.936 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.735 1.983 -6.146 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.139 1.193 -5.293 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.389 2.214 -7.264 1.00 0.00 N ATOM 0 H ASN A 70 -11.690 2.450 -8.392 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.376 2.853 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.394 3.039 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.578 3.738 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.267 1.730 -7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.018 2.877 -7.944 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.883 0.139 -5.869 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.354 -0.941 -5.053 1.00 0.00 C ATOM 1028 C LEU A 71 -8.816 -0.872 -5.108 1.00 0.00 C ATOM 1029 O LEU A 71 -8.232 -1.139 -6.152 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.820 -2.300 -5.636 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.675 -3.229 -4.742 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.350 -4.710 -4.920 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.558 -2.892 -3.277 1.00 0.00 C ATOM 0 H LEU A 71 -10.445 0.214 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.706 -0.847 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.390 -2.095 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.931 -2.855 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.697 -3.052 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.986 -5.304 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.527 -4.999 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.304 -4.886 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.178 -3.575 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.519 -2.989 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.892 -1.868 -3.111 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.153 -0.523 -4.013 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.686 -0.546 -3.975 1.00 0.00 C ATOM 1047 C PHE A 72 -6.253 -1.695 -3.092 1.00 0.00 C ATOM 1048 O PHE A 72 -6.857 -1.945 -2.055 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.081 0.794 -3.492 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.008 0.692 -2.434 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.351 0.645 -1.102 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.655 0.669 -2.761 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.385 0.583 -0.136 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.701 0.614 -1.793 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.064 0.574 -0.493 1.00 0.00 C ATOM 0 H PHE A 72 -8.597 -0.223 -3.145 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.311 -0.688 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.665 1.314 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.888 1.416 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.393 0.657 -0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.358 0.695 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.664 0.541 0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.656 0.602 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.304 0.534 0.273 1.00 0.00 H new ATOM 1065 N SER A 73 -5.237 -2.406 -3.505 1.00 0.00 N ATOM 1066 CA SER A 73 -4.841 -3.594 -2.789 1.00 0.00 C ATOM 1067 C SER A 73 -3.338 -3.654 -2.578 1.00 0.00 C ATOM 1068 O SER A 73 -2.588 -2.903 -3.193 1.00 0.00 O ATOM 1069 CB SER A 73 -5.311 -4.816 -3.558 1.00 0.00 C ATOM 1070 OG SER A 73 -4.886 -6.020 -2.946 1.00 0.00 O ATOM 0 H SER A 73 -4.672 -2.188 -4.326 1.00 0.00 H new ATOM 0 HA SER A 73 -5.304 -3.570 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.399 -4.807 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.929 -4.772 -4.578 1.00 0.00 H new ATOM 0 HG SER A 73 -5.248 -6.070 -2.037 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.927 -4.535 -1.679 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.535 -4.906 -1.512 1.00 0.00 C ATOM 1078 C PHE A 74 -1.447 -6.258 -0.789 1.00 0.00 C ATOM 1079 O PHE A 74 -2.210 -6.524 0.141 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.746 -3.818 -0.780 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.387 -3.272 0.455 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.662 -4.101 1.523 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.690 -1.919 0.562 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.230 -3.609 2.667 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.252 -1.426 1.719 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.522 -2.269 2.766 1.00 0.00 C ATOM 0 H PHE A 74 -3.559 -5.016 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.078 -5.008 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.231 -4.221 -0.512 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.572 -2.994 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.426 -5.153 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.484 -1.254 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.449 -4.272 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.480 -0.374 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.965 -1.880 3.671 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.582 -7.139 -1.269 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.320 -8.391 -0.589 1.00 0.00 C ATOM 1098 C GLU A 75 0.829 -8.200 0.366 1.00 0.00 C ATOM 1099 O GLU A 75 1.975 -8.187 -0.058 1.00 0.00 O ATOM 1100 CB GLU A 75 0.037 -9.517 -1.547 1.00 0.00 C ATOM 1101 CG GLU A 75 0.255 -10.847 -0.834 1.00 0.00 C ATOM 1102 CD GLU A 75 0.830 -11.915 -1.734 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.251 -11.587 -2.852 1.00 0.00 O ATOM 1104 OE2 GLU A 75 0.882 -13.090 -1.317 1.00 0.00 O ATOM 0 H GLU A 75 -0.050 -7.006 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.235 -8.672 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.760 -9.630 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.941 -9.250 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.925 -10.693 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.695 -11.195 -0.428 1.00 0.00 H new ATOM 1111 N SER A 76 0.549 -8.038 1.634 1.00 0.00 N ATOM 1112 CA SER A 76 1.609 -7.819 2.584 1.00 0.00 C ATOM 1113 C SER A 76 2.223 -9.160 2.997 1.00 0.00 C ATOM 1114 O SER A 76 1.522 -10.074 3.425 1.00 0.00 O ATOM 1115 CB SER A 76 1.065 -7.028 3.770 1.00 0.00 C ATOM 1116 OG SER A 76 -0.030 -7.690 4.378 1.00 0.00 O ATOM 0 H SER A 76 -0.391 -8.053 2.029 1.00 0.00 H new ATOM 0 HA SER A 76 2.409 -7.230 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.857 -6.882 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.753 -6.038 3.436 1.00 0.00 H new ATOM 0 HG SER A 76 0.011 -7.565 5.349 1.00 0.00 H new ATOM 1122 N GLY A 77 3.541 -9.265 2.851 1.00 0.00 N ATOM 1123 CA GLY A 77 4.220 -10.534 3.047 1.00 0.00 C ATOM 1124 C GLY A 77 4.721 -10.739 4.459 1.00 0.00 C ATOM 1125 O GLY A 77 5.614 -11.547 4.695 1.00 0.00 O ATOM 0 H GLY A 77 4.154 -8.489 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.538 -11.345 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.063 -10.596 2.358 1.00 0.00 H new ATOM 1129 N ARG A 78 4.172 -9.985 5.385 1.00 0.00 N ATOM 1130 CA ARG A 78 4.456 -10.169 6.798 1.00 0.00 C ATOM 1131 C ARG A 78 3.135 -10.331 7.518 1.00 0.00 C ATOM 1132 O ARG A 78 2.086 -10.419 6.879 1.00 0.00 O ATOM 1133 CB ARG A 78 5.200 -8.961 7.389 1.00 0.00 C ATOM 1134 CG ARG A 78 6.541 -8.650 6.743 1.00 0.00 C ATOM 1135 CD ARG A 78 7.592 -9.700 7.048 1.00 0.00 C ATOM 1136 NE ARG A 78 8.894 -9.308 6.516 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.999 -10.043 6.598 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.963 -11.267 7.112 1.00 0.00 N ATOM 1139 NH2 ARG A 78 11.139 -9.555 6.126 1.00 0.00 N ATOM 0 H ARG A 78 3.518 -9.228 5.185 1.00 0.00 H new ATOM 0 HA ARG A 78 5.092 -11.046 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.560 -8.083 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.359 -9.137 8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.411 -8.574 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.891 -7.678 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.664 -9.845 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.292 -10.655 6.618 1.00 0.00 H new ATOM 0 HE ARG A 78 8.961 -8.405 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.081 -11.653 7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.817 -11.821 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.161 -8.626 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.993 -10.109 6.183 1.00 0.00 H new ATOM 1153 N ARG A 79 3.172 -10.385 8.830 1.00 0.00 N ATOM 1154 CA ARG A 79 1.960 -10.258 9.597 1.00 0.00 C ATOM 1155 C ARG A 79 1.651 -8.790 9.767 1.00 0.00 C ATOM 1156 O ARG A 79 2.554 -7.953 9.771 1.00 0.00 O ATOM 1157 CB ARG A 79 2.114 -10.909 10.946 1.00 0.00 C ATOM 1158 CG ARG A 79 2.611 -12.328 10.851 1.00 0.00 C ATOM 1159 CD ARG A 79 3.338 -12.714 12.113 1.00 0.00 C ATOM 1160 NE ARG A 79 4.597 -11.984 12.269 1.00 0.00 N ATOM 1161 CZ ARG A 79 4.786 -11.003 13.152 1.00 0.00 C ATOM 1162 NH1 ARG A 79 3.782 -10.595 13.922 1.00 0.00 N ATOM 1163 NH2 ARG A 79 5.974 -10.417 13.251 1.00 0.00 N ATOM 0 H ARG A 79 4.020 -10.515 9.381 1.00 0.00 H new ATOM 0 HA ARG A 79 1.145 -10.756 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.808 -10.325 11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.154 -10.898 11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.772 -13.004 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.277 -12.431 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.698 -12.519 12.973 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.540 -13.785 12.101 1.00 0.00 H new ATOM 0 HE ARG A 79 5.378 -12.242 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.864 -11.033 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.929 -9.844 14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.742 -10.717 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.118 -9.667 13.927 1.00 0.00 H new ATOM 1177 N CYS A 80 0.392 -8.486 9.907 1.00 0.00 N ATOM 1178 CA CYS A 80 -0.046 -7.116 10.012 1.00 0.00 C ATOM 1179 C CYS A 80 -1.155 -6.989 11.037 1.00 0.00 C ATOM 1180 O CYS A 80 -1.674 -7.996 11.520 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.515 -6.619 8.650 1.00 0.00 C ATOM 1182 SG CYS A 80 0.832 -6.307 7.486 1.00 0.00 S ATOM 0 H CYS A 80 -0.359 -9.174 9.952 1.00 0.00 H new ATOM 0 HA CYS A 80 0.791 -6.501 10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.193 -7.355 8.218 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.086 -5.701 8.785 1.00 0.00 H new ATOM 0 HG CYS A 80 0.435 -5.466 6.578 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.501 -5.762 11.372 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.607 -5.488 12.274 1.00 0.00 C ATOM 1190 C GLN A 81 -3.865 -6.195 11.792 1.00 0.00 C ATOM 1191 O GLN A 81 -4.492 -6.960 12.525 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.849 -3.994 12.303 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.966 -3.554 13.214 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.565 -3.509 14.673 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -3.005 -2.519 15.143 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.900 -4.550 15.408 1.00 0.00 N ATOM 0 H GLN A 81 -1.026 -4.927 11.029 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.362 -5.851 13.272 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.929 -3.497 12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.070 -3.656 11.291 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.308 -2.565 12.907 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.810 -4.233 13.097 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.363 -5.350 14.978 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.696 -4.555 16.407 1.00 0.00 H new ATOM 1205 N THR A 82 -4.215 -5.950 10.543 1.00 0.00 N ATOM 1206 CA THR A 82 -5.457 -6.454 10.004 1.00 0.00 C ATOM 1207 C THR A 82 -5.285 -6.962 8.566 1.00 0.00 C ATOM 1208 O THR A 82 -6.255 -7.070 7.817 1.00 0.00 O ATOM 1209 CB THR A 82 -6.561 -5.364 10.106 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.790 -5.785 9.498 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.095 -4.061 9.485 1.00 0.00 C ATOM 0 H THR A 82 -3.656 -5.406 9.886 1.00 0.00 H new ATOM 0 HA THR A 82 -5.769 -7.312 10.599 1.00 0.00 H new ATOM 0 HB THR A 82 -6.750 -5.204 11.167 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.601 -6.458 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.885 -3.315 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.205 -3.708 10.006 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.859 -4.223 8.433 1.00 0.00 H new ATOM 1219 N GLY A 83 -4.052 -7.296 8.183 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.803 -7.735 6.817 1.00 0.00 C ATOM 1221 C GLY A 83 -2.704 -8.768 6.734 1.00 0.00 C ATOM 1222 O GLY A 83 -1.539 -8.437 6.569 1.00 0.00 O ATOM 0 H GLY A 83 -3.230 -7.271 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.720 -8.150 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.535 -6.874 6.205 1.00 0.00 H new ATOM 1226 N GLN A 84 -3.082 -10.023 6.849 1.00 0.00 N ATOM 1227 CA GLN A 84 -2.119 -11.120 6.847 1.00 0.00 C ATOM 1228 C GLN A 84 -1.737 -11.571 5.429 1.00 0.00 C ATOM 1229 O GLN A 84 -1.108 -12.617 5.260 1.00 0.00 O ATOM 1230 CB GLN A 84 -2.689 -12.307 7.624 1.00 0.00 C ATOM 1231 CG GLN A 84 -3.044 -11.987 9.067 1.00 0.00 C ATOM 1232 CD GLN A 84 -1.842 -11.570 9.890 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -1.506 -10.393 9.967 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -1.187 -12.534 10.513 1.00 0.00 N ATOM 0 H GLN A 84 -4.054 -10.317 6.946 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.212 -10.751 7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.581 -12.668 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.963 -13.120 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.786 -11.188 9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.506 -12.862 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.498 -13.501 10.424 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.371 -12.311 11.083 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.112 -10.795 4.418 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.787 -11.153 3.043 1.00 0.00 C ATOM 1245 C GLY A 85 -2.347 -10.155 2.050 1.00 0.00 C ATOM 1246 O GLY A 85 -2.133 -8.953 2.198 1.00 0.00 O ATOM 0 H GLY A 85 -2.634 -9.925 4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.704 -11.209 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.183 -12.145 2.823 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.060 -10.643 1.033 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.754 -9.757 0.106 1.00 0.00 C ATOM 1252 C ILE A 86 -4.880 -9.046 0.839 1.00 0.00 C ATOM 1253 O ILE A 86 -5.923 -9.638 1.134 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.319 -10.493 -1.126 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.154 -10.947 -2.005 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.264 -9.586 -1.898 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.330 -10.727 -3.493 1.00 0.00 C ATOM 0 H ILE A 86 -3.170 -11.637 0.834 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.021 -9.040 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.889 -11.366 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.254 -10.423 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.984 -12.009 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.654 -10.120 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.091 -9.288 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.726 -8.699 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.446 -11.085 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.206 -11.274 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.465 -9.663 -3.690 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.646 -7.799 1.180 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.642 -7.004 1.860 1.00 0.00 C ATOM 1271 C PHE A 87 -5.964 -5.798 1.012 1.00 0.00 C ATOM 1272 O PHE A 87 -5.169 -4.867 0.886 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.135 -6.606 3.253 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.162 -5.990 4.176 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.521 -6.248 4.046 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.746 -5.158 5.198 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.435 -5.678 4.922 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.651 -4.592 6.074 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.992 -4.847 5.939 1.00 0.00 C ATOM 0 H PHE A 87 -3.769 -7.312 0.996 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.556 -7.580 2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.725 -7.493 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.313 -5.900 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.869 -6.898 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.693 -4.946 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.490 -5.882 4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.302 -3.947 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.700 -4.402 6.623 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.117 -5.858 0.383 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.550 -4.809 -0.498 1.00 0.00 C ATOM 1291 C ALA A 88 -8.549 -3.905 0.212 1.00 0.00 C ATOM 1292 O ALA A 88 -9.277 -4.334 1.108 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.145 -5.405 -1.753 1.00 0.00 C ATOM 0 H ALA A 88 -7.774 -6.633 0.470 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.692 -4.200 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.471 -4.604 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.394 -6.012 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.999 -6.029 -1.490 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.562 -2.651 -0.171 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.502 -1.699 0.371 1.00 0.00 C ATOM 1301 C PHE A 89 -10.209 -1.067 -0.789 1.00 0.00 C ATOM 1302 O PHE A 89 -9.620 -0.862 -1.845 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.817 -0.615 1.202 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.727 -1.154 2.043 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.502 -1.325 1.483 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.923 -1.503 3.364 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.468 -1.845 2.204 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.888 -2.022 4.106 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.655 -2.198 3.523 1.00 0.00 C ATOM 0 H PHE A 89 -7.923 -2.262 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.192 -2.217 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.415 0.149 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.556 -0.127 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.344 -1.045 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.894 -1.368 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.502 -1.980 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.043 -2.290 5.141 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.838 -2.611 4.096 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.454 -0.776 -0.613 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.211 -0.139 -1.633 1.00 0.00 C ATOM 1321 C LYS A 90 -11.897 1.347 -1.587 1.00 0.00 C ATOM 1322 O LYS A 90 -12.564 2.132 -0.912 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.671 -0.418 -1.411 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.480 -0.561 -2.667 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.707 -1.416 -2.453 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.505 -0.921 -1.280 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.742 -1.727 -1.078 1.00 0.00 N ATOM 0 H LYS A 90 -11.974 -0.974 0.242 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.955 -0.519 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.767 -1.333 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.094 0.389 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.782 0.426 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.862 -1.003 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.325 -1.403 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.410 -2.451 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.892 -0.962 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.773 0.124 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.999 -1.722 -0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.518 -1.317 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.573 -2.706 -1.387 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.839 1.701 -2.279 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.281 3.036 -2.224 1.00 0.00 C ATOM 1343 C CYS A 91 -10.685 3.775 -3.480 1.00 0.00 C ATOM 1344 O CYS A 91 -10.292 3.391 -4.568 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.757 2.941 -2.124 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.212 1.534 -1.149 1.00 0.00 S ATOM 0 H CYS A 91 -10.336 1.068 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.654 3.574 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.335 2.868 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.368 3.858 -1.680 1.00 0.00 H new ATOM 0 HG CYS A 91 -6.933 1.365 -1.309 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.498 4.806 -3.343 1.00 0.00 N ATOM 1353 CA ALA A 92 -11.982 5.527 -4.508 1.00 0.00 C ATOM 1354 C ALA A 92 -10.835 6.154 -5.284 1.00 0.00 C ATOM 1355 O ALA A 92 -10.876 6.247 -6.508 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.009 6.562 -4.127 1.00 0.00 C ATOM 0 H ALA A 92 -11.835 5.161 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.469 4.803 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.350 7.083 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.857 6.074 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.564 7.279 -3.437 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.806 6.576 -4.567 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.561 6.980 -5.202 1.00 0.00 C ATOM 1364 C ARG A 93 -7.626 5.794 -5.284 1.00 0.00 C ATOM 1365 O ARG A 93 -6.450 5.944 -5.054 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.853 8.102 -4.432 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.235 9.514 -4.842 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.739 9.717 -4.917 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.100 11.101 -4.636 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.318 11.499 -4.271 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.358 10.681 -4.378 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.503 12.742 -3.860 1.00 0.00 N ATOM 0 H ARG A 93 -9.807 6.648 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.813 7.351 -6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.065 7.980 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.777 7.984 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.812 10.222 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.794 9.738 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.097 9.439 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.233 9.058 -4.204 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.373 11.811 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.229 9.737 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.286 10.996 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.716 13.390 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.433 13.053 -3.579 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.155 4.613 -5.577 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.331 3.410 -5.694 1.00 0.00 C ATOM 1388 C ALA A 94 -6.221 3.642 -6.683 1.00 0.00 C ATOM 1389 O ALA A 94 -5.056 3.468 -6.381 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.153 2.249 -6.201 1.00 0.00 C ATOM 0 H ALA A 94 -9.150 4.459 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.931 3.185 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.522 1.364 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.970 2.051 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.562 2.493 -7.182 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.638 4.000 -7.884 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.730 4.379 -8.967 1.00 0.00 C ATOM 1398 C GLU A 95 -4.633 5.292 -8.458 1.00 0.00 C ATOM 1399 O GLU A 95 -3.447 4.988 -8.548 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.513 5.099 -10.070 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.714 5.885 -9.554 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.220 6.909 -10.544 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.953 6.529 -11.477 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -7.902 8.106 -10.383 1.00 0.00 O ATOM 0 H GLU A 95 -7.624 4.038 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.275 3.472 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.842 5.780 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.856 4.365 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.519 5.191 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.440 6.389 -8.627 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.076 6.396 -7.908 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.218 7.421 -7.358 1.00 0.00 C ATOM 1413 C GLU A 96 -3.349 6.876 -6.232 1.00 0.00 C ATOM 1414 O GLU A 96 -2.149 7.129 -6.185 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.119 8.527 -6.830 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.406 9.788 -6.425 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.647 10.458 -7.551 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -2.760 9.823 -8.148 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -3.918 11.645 -7.827 1.00 0.00 O ATOM 0 H GLU A 96 -6.069 6.614 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.545 7.793 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.854 8.773 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.670 8.147 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.135 10.492 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.709 9.556 -5.619 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.974 6.143 -5.327 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.314 5.572 -4.186 1.00 0.00 C ATOM 1428 C LEU A 97 -2.287 4.558 -4.618 1.00 0.00 C ATOM 1429 O LEU A 97 -1.105 4.722 -4.358 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.350 4.916 -3.298 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.994 4.924 -1.838 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.233 4.931 -1.019 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.222 3.687 -1.505 1.00 0.00 C ATOM 0 H LEU A 97 -4.970 5.930 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.800 6.360 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.304 5.426 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.491 3.885 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.399 5.812 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.970 4.937 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.818 5.820 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.821 4.041 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.964 3.693 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.829 2.809 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.310 3.656 -2.101 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.749 3.519 -5.285 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.870 2.501 -5.804 1.00 0.00 C ATOM 1447 C PHE A 98 -0.688 3.155 -6.506 1.00 0.00 C ATOM 1448 O PHE A 98 0.452 2.901 -6.150 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.631 1.574 -6.758 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.728 0.846 -7.687 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.786 -0.003 -7.174 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.777 1.055 -9.054 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.107 -0.633 -7.988 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.891 0.407 -9.888 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.059 -0.435 -9.349 1.00 0.00 C ATOM 0 H PHE A 98 -3.738 3.361 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.494 1.896 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.206 0.853 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.345 2.160 -7.336 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.750 -0.176 -6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.512 1.728 -9.469 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.853 -1.289 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.941 0.558 -10.956 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.764 -0.938 -9.994 1.00 0.00 H new ATOM 1465 N ASN A 99 -0.989 4.014 -7.477 1.00 0.00 N ATOM 1466 CA ASN A 99 0.020 4.834 -8.167 1.00 0.00 C ATOM 1467 C ASN A 99 0.952 5.477 -7.192 1.00 0.00 C ATOM 1468 O ASN A 99 2.129 5.159 -7.184 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.650 5.936 -8.987 1.00 0.00 C ATOM 1470 CG ASN A 99 0.318 6.639 -9.919 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.622 6.147 -11.006 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.779 7.812 -9.515 1.00 0.00 N ATOM 0 H ASN A 99 -1.940 4.166 -7.813 1.00 0.00 H new ATOM 0 HA ASN A 99 0.581 4.168 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.463 5.506 -9.571 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.094 6.667 -8.312 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.411 8.345 -10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.502 8.183 -8.606 1.00 0.00 H new ATOM 1479 N MET A 100 0.414 6.357 -6.370 1.00 0.00 N ATOM 1480 CA MET A 100 1.206 7.105 -5.420 1.00 0.00 C ATOM 1481 C MET A 100 2.139 6.150 -4.713 1.00 0.00 C ATOM 1482 O MET A 100 3.343 6.336 -4.720 1.00 0.00 O ATOM 1483 CB MET A 100 0.282 7.790 -4.426 1.00 0.00 C ATOM 1484 CG MET A 100 0.963 8.829 -3.569 1.00 0.00 C ATOM 1485 SD MET A 100 0.204 8.995 -1.960 1.00 0.00 S ATOM 1486 CE MET A 100 -1.489 9.144 -2.461 1.00 0.00 C ATOM 0 H MET A 100 -0.583 6.572 -6.344 1.00 0.00 H new ATOM 0 HA MET A 100 1.794 7.869 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.535 8.263 -4.971 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.162 7.034 -3.778 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.013 8.562 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.936 9.791 -4.081 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.136 9.043 -1.590 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.648 10.120 -2.921 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.726 8.361 -3.181 1.00 0.00 H new ATOM 1496 N LEU A 101 1.554 5.103 -4.161 1.00 0.00 N ATOM 1497 CA LEU A 101 2.294 3.991 -3.581 1.00 0.00 C ATOM 1498 C LEU A 101 3.421 3.490 -4.493 1.00 0.00 C ATOM 1499 O LEU A 101 4.580 3.538 -4.093 1.00 0.00 O ATOM 1500 CB LEU A 101 1.307 2.864 -3.271 1.00 0.00 C ATOM 1501 CG LEU A 101 1.885 1.472 -3.088 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.904 1.444 -1.976 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.761 0.503 -2.809 1.00 0.00 C ATOM 0 H LEU A 101 0.541 4.997 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 101 2.778 4.337 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.766 3.128 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.575 2.823 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 101 2.399 1.179 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.299 0.434 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.718 2.129 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.432 1.749 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.169 -0.499 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.237 0.805 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.064 0.503 -3.647 1.00 0.00 H new ATOM 1515 N GLN A 102 3.098 3.013 -5.705 1.00 0.00 N ATOM 1516 CA GLN A 102 4.134 2.481 -6.602 1.00 0.00 C ATOM 1517 C GLN A 102 5.217 3.534 -6.845 1.00 0.00 C ATOM 1518 O GLN A 102 6.392 3.218 -7.005 1.00 0.00 O ATOM 1519 CB GLN A 102 3.601 2.011 -7.966 1.00 0.00 C ATOM 1520 CG GLN A 102 2.136 2.031 -8.159 1.00 0.00 C ATOM 1521 CD GLN A 102 1.786 2.260 -9.614 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.740 2.804 -9.950 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.687 1.877 -10.488 1.00 0.00 N ATOM 0 H GLN A 102 2.150 2.984 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 102 4.537 1.607 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.053 2.633 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.950 0.992 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.708 1.087 -7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.695 2.818 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.546 1.427 -10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.528 2.029 -11.484 1.00 0.00 H new ATOM 1532 N GLU A 103 4.800 4.791 -6.850 1.00 0.00 N ATOM 1533 CA GLU A 103 5.684 5.914 -7.128 1.00 0.00 C ATOM 1534 C GLU A 103 6.531 6.256 -5.922 1.00 0.00 C ATOM 1535 O GLU A 103 7.731 6.470 -6.043 1.00 0.00 O ATOM 1536 CB GLU A 103 4.850 7.085 -7.570 1.00 0.00 C ATOM 1537 CG GLU A 103 3.945 6.640 -8.676 1.00 0.00 C ATOM 1538 CD GLU A 103 4.544 6.800 -10.055 1.00 0.00 C ATOM 1539 OE1 GLU A 103 5.506 6.078 -10.375 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.048 7.642 -10.835 1.00 0.00 O ATOM 0 H GLU A 103 3.835 5.062 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 103 6.376 5.646 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.265 7.469 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.491 7.898 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.686 5.593 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.017 7.209 -8.625 1.00 0.00 H new ATOM 1547 N ILE A 104 5.910 6.293 -4.755 1.00 0.00 N ATOM 1548 CA ILE A 104 6.650 6.419 -3.519 1.00 0.00 C ATOM 1549 C ILE A 104 7.639 5.271 -3.426 1.00 0.00 C ATOM 1550 O ILE A 104 8.786 5.448 -3.014 1.00 0.00 O ATOM 1551 CB ILE A 104 5.744 6.410 -2.278 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.922 7.686 -2.192 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.591 6.270 -1.043 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.446 7.441 -2.067 1.00 0.00 C ATOM 0 H ILE A 104 4.898 6.237 -4.642 1.00 0.00 H new ATOM 0 HA ILE A 104 7.160 7.382 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 104 5.058 5.567 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.259 8.269 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.108 8.289 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.950 6.263 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.152 5.337 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.285 7.108 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.922 8.395 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.095 6.885 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.248 6.865 -1.163 1.00 0.00 H new ATOM 1566 N MET A 105 7.180 4.099 -3.848 1.00 0.00 N ATOM 1567 CA MET A 105 8.016 2.920 -3.912 1.00 0.00 C ATOM 1568 C MET A 105 9.259 3.183 -4.751 1.00 0.00 C ATOM 1569 O MET A 105 10.378 2.878 -4.343 1.00 0.00 O ATOM 1570 CB MET A 105 7.249 1.740 -4.491 1.00 0.00 C ATOM 1571 CG MET A 105 6.261 1.135 -3.520 1.00 0.00 C ATOM 1572 SD MET A 105 6.226 -0.656 -3.621 1.00 0.00 S ATOM 1573 CE MET A 105 5.165 -1.018 -2.240 1.00 0.00 C ATOM 0 H MET A 105 6.219 3.946 -4.154 1.00 0.00 H new ATOM 0 HA MET A 105 8.321 2.676 -2.894 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.717 2.065 -5.385 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.958 0.973 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.521 1.435 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.265 1.529 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.647 -1.751 -1.593 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.977 -0.104 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.220 -1.421 -2.603 1.00 0.00 H new ATOM 1583 N GLN A 106 9.049 3.769 -5.921 1.00 0.00 N ATOM 1584 CA GLN A 106 10.129 4.059 -6.843 1.00 0.00 C ATOM 1585 C GLN A 106 11.035 5.164 -6.316 1.00 0.00 C ATOM 1586 O GLN A 106 12.257 5.093 -6.424 1.00 0.00 O ATOM 1587 CB GLN A 106 9.557 4.482 -8.182 1.00 0.00 C ATOM 1588 CG GLN A 106 8.766 3.394 -8.871 1.00 0.00 C ATOM 1589 CD GLN A 106 9.627 2.357 -9.579 1.00 0.00 C ATOM 1590 OE1 GLN A 106 9.190 1.734 -10.547 1.00 0.00 O ATOM 1591 NE2 GLN A 106 10.862 2.187 -9.136 1.00 0.00 N ATOM 0 H GLN A 106 8.128 4.054 -6.254 1.00 0.00 H new ATOM 0 HA GLN A 106 10.724 3.152 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.914 5.350 -8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.373 4.795 -8.834 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.141 2.890 -8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.095 3.852 -9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.193 2.719 -8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.483 1.524 -9.599 1.00 0.00 H new ATOM 1600 N ASN A 107 10.419 6.172 -5.724 1.00 0.00 N ATOM 1601 CA ASN A 107 11.098 7.423 -5.433 1.00 0.00 C ATOM 1602 C ASN A 107 11.652 7.500 -4.008 1.00 0.00 C ATOM 1603 O ASN A 107 12.363 8.445 -3.678 1.00 0.00 O ATOM 1604 CB ASN A 107 10.148 8.590 -5.698 1.00 0.00 C ATOM 1605 CG ASN A 107 9.894 8.817 -7.181 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.632 9.545 -7.847 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.840 8.204 -7.702 1.00 0.00 N ATOM 0 H ASN A 107 9.442 6.148 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 107 11.962 7.479 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.199 8.401 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.564 9.498 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.615 8.327 -8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.254 7.609 -7.116 1.00 0.00 H new ATOM 1614 N ASN A 108 11.344 6.529 -3.154 1.00 0.00 N ATOM 1615 CA ASN A 108 11.881 6.555 -1.793 1.00 0.00 C ATOM 1616 C ASN A 108 12.903 5.464 -1.556 1.00 0.00 C ATOM 1617 O ASN A 108 13.804 5.636 -0.738 1.00 0.00 O ATOM 1618 CB ASN A 108 10.791 6.483 -0.716 1.00 0.00 C ATOM 1619 CG ASN A 108 10.157 7.836 -0.473 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.608 8.590 0.388 1.00 0.00 O ATOM 1621 ND2 ASN A 108 9.125 8.163 -1.229 1.00 0.00 N ATOM 0 H ASN A 108 10.742 5.734 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 108 12.376 7.522 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.024 5.771 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.221 6.110 0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.672 9.069 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.781 7.509 -1.932 1.00 0.00 H new ATOM 1628 N SER A 109 12.747 4.339 -2.252 1.00 0.00 N ATOM 1629 CA SER A 109 13.614 3.163 -2.068 1.00 0.00 C ATOM 1630 C SER A 109 13.377 2.526 -0.689 1.00 0.00 C ATOM 1631 O SER A 109 13.764 1.383 -0.453 1.00 0.00 O ATOM 1632 CB SER A 109 15.086 3.542 -2.251 1.00 0.00 C ATOM 1633 OG SER A 109 15.282 4.233 -3.478 1.00 0.00 O ATOM 0 H SER A 109 12.021 4.211 -2.957 1.00 0.00 H new ATOM 0 HA SER A 109 13.359 2.426 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.411 4.168 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.702 2.643 -2.232 1.00 0.00 H new ATOM 0 HG SER A 109 16.229 4.467 -3.574 1.00 0.00 H new ATOM 1639 N ILE A 110 12.749 3.290 0.204 1.00 0.00 N ATOM 1640 CA ILE A 110 12.108 2.764 1.397 1.00 0.00 C ATOM 1641 C ILE A 110 13.075 2.104 2.384 1.00 0.00 C ATOM 1642 O ILE A 110 13.400 0.913 2.281 1.00 0.00 O ATOM 1643 CB ILE A 110 10.968 1.803 1.032 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.801 2.555 0.409 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.491 1.079 2.253 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.034 3.085 -0.979 1.00 0.00 C ATOM 0 H ILE A 110 12.673 4.303 0.113 1.00 0.00 H new ATOM 0 HA ILE A 110 11.696 3.631 1.914 1.00 0.00 H new ATOM 0 HB ILE A 110 11.354 1.086 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.937 1.892 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.543 3.391 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.682 0.400 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.314 0.508 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.128 1.800 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.140 3.603 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.874 3.780 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.258 2.257 -1.652 1.00 0.00 H new ATOM 1658 N ASN A 111 13.519 2.898 3.351 1.00 0.00 N ATOM 1659 CA ASN A 111 14.301 2.399 4.475 1.00 0.00 C ATOM 1660 C ASN A 111 13.926 3.141 5.743 1.00 0.00 C ATOM 1661 O ASN A 111 14.106 4.352 5.849 1.00 0.00 O ATOM 1662 CB ASN A 111 15.811 2.545 4.234 1.00 0.00 C ATOM 1663 CG ASN A 111 16.333 1.628 3.149 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.665 0.468 3.406 1.00 0.00 O ATOM 1665 ND2 ASN A 111 16.429 2.148 1.937 1.00 0.00 N ATOM 0 H ASN A 111 13.348 3.903 3.378 1.00 0.00 H new ATOM 0 HA ASN A 111 14.073 1.338 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.031 3.578 3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.342 2.338 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.790 1.584 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.142 3.113 1.772 1.00 0.00 H new ATOM 1672 N VAL A 112 13.375 2.402 6.692 1.00 0.00 N ATOM 1673 CA VAL A 112 13.098 2.932 8.020 1.00 0.00 C ATOM 1674 C VAL A 112 14.411 3.313 8.679 1.00 0.00 C ATOM 1675 O VAL A 112 14.536 4.359 9.316 1.00 0.00 O ATOM 1676 CB VAL A 112 12.396 1.875 8.893 1.00 0.00 C ATOM 1677 CG1 VAL A 112 11.894 2.476 10.196 1.00 0.00 C ATOM 1678 CG2 VAL A 112 11.265 1.227 8.124 1.00 0.00 C ATOM 0 H VAL A 112 13.108 1.425 6.567 1.00 0.00 H new ATOM 0 HA VAL A 112 12.446 3.800 7.923 1.00 0.00 H new ATOM 0 HB VAL A 112 13.126 1.107 9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.404 1.703 10.788 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.735 2.884 10.757 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.182 3.273 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.777 0.482 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.540 1.987 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.662 0.744 7.231 1.00 0.00 H new ATOM 1688 N VAL A 113 15.379 2.431 8.492 1.00 0.00 N ATOM 1689 CA VAL A 113 16.727 2.593 8.995 1.00 0.00 C ATOM 1690 C VAL A 113 17.463 1.286 8.748 1.00 0.00 C ATOM 1691 O VAL A 113 16.826 0.290 8.391 1.00 0.00 O ATOM 1692 CB VAL A 113 16.753 2.923 10.509 1.00 0.00 C ATOM 1693 CG1 VAL A 113 16.582 1.670 11.356 1.00 0.00 C ATOM 1694 CG2 VAL A 113 18.026 3.659 10.880 1.00 0.00 C ATOM 0 H VAL A 113 15.243 1.563 7.974 1.00 0.00 H new ATOM 0 HA VAL A 113 17.201 3.429 8.480 1.00 0.00 H new ATOM 0 HB VAL A 113 15.908 3.579 10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.605 1.939 12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.627 1.200 11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.392 0.972 11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 113 18.021 3.880 11.947 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.889 3.037 10.642 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.085 4.591 10.317 1.00 0.00 H new ATOM 1704 N GLU A 114 18.775 1.289 8.932 1.00 0.00 N ATOM 1705 CA GLU A 114 19.575 0.082 8.849 1.00 0.00 C ATOM 1706 C GLU A 114 19.497 -0.557 7.469 1.00 0.00 C ATOM 1707 O GLU A 114 18.672 -1.443 7.214 1.00 0.00 O ATOM 1708 CB GLU A 114 19.130 -0.895 9.921 1.00 0.00 C ATOM 1709 CG GLU A 114 19.505 -0.463 11.315 1.00 0.00 C ATOM 1710 CD GLU A 114 18.894 -1.345 12.377 1.00 0.00 C ATOM 1711 OE1 GLU A 114 19.479 -2.402 12.683 1.00 0.00 O ATOM 1712 OE2 GLU A 114 17.822 -0.998 12.907 1.00 0.00 O ATOM 0 H GLU A 114 19.312 2.130 9.143 1.00 0.00 H new ATOM 0 HA GLU A 114 20.618 0.351 9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.048 -1.017 9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.572 -1.871 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.590 -0.476 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.182 0.566 11.472 1.00 0.00 H new ATOM 1719 N GLU A 115 20.354 -0.088 6.584 1.00 0.00 N ATOM 1720 CA GLU A 115 20.474 -0.638 5.247 1.00 0.00 C ATOM 1721 C GLU A 115 20.985 -2.068 5.328 1.00 0.00 C ATOM 1722 O GLU A 115 21.898 -2.354 6.104 1.00 0.00 O ATOM 1723 CB GLU A 115 21.441 0.204 4.400 1.00 0.00 C ATOM 1724 CG GLU A 115 21.031 1.663 4.226 1.00 0.00 C ATOM 1725 CD GLU A 115 21.328 2.531 5.439 1.00 0.00 C ATOM 1726 OE1 GLU A 115 21.843 2.013 6.454 1.00 0.00 O ATOM 1727 OE2 GLU A 115 21.054 3.742 5.384 1.00 0.00 O ATOM 0 H GLU A 115 20.989 0.688 6.772 1.00 0.00 H new ATOM 0 HA GLU A 115 19.491 -0.623 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 115 22.429 0.171 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.532 -0.254 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.548 2.076 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.963 1.708 4.011 1.00 0.00 H new ATOM 1734 N PRO A 116 20.379 -2.988 4.559 1.00 0.00 N ATOM 1735 CA PRO A 116 20.825 -4.388 4.475 1.00 0.00 C ATOM 1736 C PRO A 116 22.201 -4.534 3.816 1.00 0.00 C ATOM 1737 O PRO A 116 22.344 -5.241 2.818 1.00 0.00 O ATOM 1738 CB PRO A 116 19.759 -5.071 3.612 1.00 0.00 C ATOM 1739 CG PRO A 116 18.621 -4.123 3.543 1.00 0.00 C ATOM 1740 CD PRO A 116 19.188 -2.746 3.737 1.00 0.00 C ATOM 0 HA PRO A 116 20.932 -4.823 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 116 20.145 -5.291 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 116 19.451 -6.020 4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 116 18.113 -4.199 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 116 17.883 -4.349 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 116 19.443 -2.278 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.480 -2.086 4.238 1.00 0.00 H new ATOM 1748 N VAL A 117 23.196 -3.864 4.418 1.00 0.00 N ATOM 1749 CA VAL A 117 24.567 -3.748 3.901 1.00 0.00 C ATOM 1750 C VAL A 117 24.626 -3.731 2.383 1.00 0.00 C ATOM 1751 O VAL A 117 24.817 -4.756 1.731 1.00 0.00 O ATOM 1752 CB VAL A 117 25.523 -4.819 4.479 1.00 0.00 C ATOM 1753 CG1 VAL A 117 25.942 -4.445 5.892 1.00 0.00 C ATOM 1754 CG2 VAL A 117 24.864 -6.179 4.474 1.00 0.00 C ATOM 0 H VAL A 117 23.064 -3.374 5.303 1.00 0.00 H new ATOM 0 HA VAL A 117 24.920 -2.778 4.251 1.00 0.00 H new ATOM 0 HB VAL A 117 26.411 -4.862 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 117 26.614 -5.207 6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 117 26.454 -3.483 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 117 25.059 -4.377 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 117 25.552 -6.918 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 117 23.960 -6.148 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 117 24.604 -6.453 3.452 1.00 0.00 H new ATOM 1764 N VAL A 118 24.477 -2.540 1.835 1.00 0.00 N ATOM 1765 CA VAL A 118 24.438 -2.365 0.391 1.00 0.00 C ATOM 1766 C VAL A 118 25.764 -2.778 -0.243 1.00 0.00 C ATOM 1767 O VAL A 118 26.824 -2.238 0.086 1.00 0.00 O ATOM 1768 CB VAL A 118 24.071 -0.920 -0.012 1.00 0.00 C ATOM 1769 CG1 VAL A 118 25.035 0.097 0.573 1.00 0.00 C ATOM 1770 CG2 VAL A 118 24.023 -0.813 -1.520 1.00 0.00 C ATOM 0 H VAL A 118 24.381 -1.675 2.368 1.00 0.00 H new ATOM 0 HA VAL A 118 23.651 -3.017 0.013 1.00 0.00 H new ATOM 0 HB VAL A 118 23.087 -0.692 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 118 24.739 1.099 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 118 25.016 0.033 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 118 26.044 -0.110 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.764 0.207 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 118 24.998 -1.069 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 118 23.272 -1.500 -1.910 1.00 0.00 H new ATOM 1780 N GLU A 119 25.680 -3.758 -1.140 1.00 0.00 N ATOM 1781 CA GLU A 119 26.844 -4.323 -1.809 1.00 0.00 C ATOM 1782 C GLU A 119 27.846 -4.855 -0.785 1.00 0.00 C ATOM 1783 O GLU A 119 28.735 -4.133 -0.332 1.00 0.00 O ATOM 1784 CB GLU A 119 27.508 -3.277 -2.702 1.00 0.00 C ATOM 1785 CG GLU A 119 28.337 -3.878 -3.820 1.00 0.00 C ATOM 1786 CD GLU A 119 27.476 -4.454 -4.925 1.00 0.00 C ATOM 1787 OE1 GLU A 119 26.689 -5.389 -4.662 1.00 0.00 O ATOM 1788 OE2 GLU A 119 27.566 -3.956 -6.065 1.00 0.00 O ATOM 0 H GLU A 119 24.797 -4.183 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 119 26.511 -5.153 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 119 26.738 -2.638 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 119 28.145 -2.639 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 119 28.994 -3.113 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 119 28.977 -4.662 -3.415 1.00 0.00 H new ATOM 1795 N ARG A 120 27.696 -6.125 -0.433 1.00 0.00 N ATOM 1796 CA ARG A 120 28.555 -6.756 0.561 1.00 0.00 C ATOM 1797 C ARG A 120 30.008 -6.745 0.101 1.00 0.00 C ATOM 1798 O ARG A 120 30.832 -6.018 0.661 1.00 0.00 O ATOM 1799 CB ARG A 120 28.110 -8.196 0.835 1.00 0.00 C ATOM 1800 CG ARG A 120 26.980 -8.325 1.849 1.00 0.00 C ATOM 1801 CD ARG A 120 25.691 -7.676 1.370 1.00 0.00 C ATOM 1802 NE ARG A 120 25.289 -8.147 0.047 1.00 0.00 N ATOM 1803 CZ ARG A 120 24.440 -7.498 -0.747 1.00 0.00 C ATOM 1804 NH1 ARG A 120 23.921 -6.335 -0.365 1.00 0.00 N ATOM 1805 NH2 ARG A 120 24.116 -8.010 -1.925 1.00 0.00 N ATOM 0 H ARG A 120 26.983 -6.742 -0.823 1.00 0.00 H new ATOM 0 HA ARG A 120 28.471 -6.183 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 120 27.793 -8.650 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 120 28.968 -8.767 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 120 26.798 -9.380 2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 120 27.286 -7.867 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 120 24.895 -7.885 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 120 25.820 -6.594 1.344 1.00 0.00 H new ATOM 0 HE ARG A 120 25.682 -9.026 -0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 120 24.173 -5.937 0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 120 23.271 -5.841 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 120 24.517 -8.900 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 120 23.466 -7.515 -2.535 1.00 0.00 H new ATOM 1819 N ASN A 121 30.308 -7.538 -0.928 1.00 0.00 N ATOM 1820 CA ASN A 121 31.670 -7.661 -1.455 1.00 0.00 C ATOM 1821 C ASN A 121 32.661 -7.978 -0.344 1.00 0.00 C ATOM 1822 O ASN A 121 33.760 -7.421 -0.301 1.00 0.00 O ATOM 1823 CB ASN A 121 32.112 -6.387 -2.189 1.00 0.00 C ATOM 1824 CG ASN A 121 31.512 -6.256 -3.575 1.00 0.00 C ATOM 1825 OD1 ASN A 121 30.372 -6.649 -3.817 1.00 0.00 O ATOM 1826 ND2 ASN A 121 32.290 -5.720 -4.501 1.00 0.00 N ATOM 0 H ASN A 121 29.620 -8.110 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 121 31.659 -8.485 -2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 121 31.831 -5.517 -1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 121 33.199 -6.380 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 121 31.950 -5.620 -5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 121 33.230 -5.407 -4.258 1.00 0.00 H new ATOM 1833 N ASN A 122 32.275 -8.870 0.551 1.00 0.00 N ATOM 1834 CA ASN A 122 33.125 -9.229 1.671 1.00 0.00 C ATOM 1835 C ASN A 122 33.447 -10.713 1.619 1.00 0.00 C ATOM 1836 O ASN A 122 32.662 -11.520 2.158 1.00 0.00 O ATOM 1837 CB ASN A 122 32.454 -8.866 3.000 1.00 0.00 C ATOM 1838 CG ASN A 122 33.336 -9.167 4.198 1.00 0.00 C ATOM 1839 OD1 ASN A 122 34.145 -8.339 4.614 1.00 0.00 O ATOM 1840 ND2 ASN A 122 33.184 -10.349 4.763 1.00 0.00 N ATOM 1841 OXT ASN A 122 34.477 -11.072 1.015 1.00 0.00 O ATOM 0 H ASN A 122 31.380 -9.358 0.524 1.00 0.00 H new ATOM 0 HA ASN A 122 34.055 -8.665 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 122 32.200 -7.806 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 122 31.519 -9.418 3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 122 33.748 -10.603 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 122 32.502 -11.009 4.389 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -5.348 -14.725 -12.118 1.00 0.00 N ATOM 1850 CA GLY B 493 -4.242 -15.077 -11.202 1.00 0.00 C ATOM 1851 C GLY B 493 -4.350 -14.349 -9.883 1.00 0.00 C ATOM 1852 O GLY B 493 -5.270 -13.555 -9.685 1.00 0.00 O ATOM 0 HA2 GLY B 493 -4.246 -16.152 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -3.289 -14.835 -11.673 1.00 0.00 H new ATOM 1858 N PRO B 494 -3.425 -14.619 -8.956 1.00 0.00 N ATOM 1859 CA PRO B 494 -3.359 -13.935 -7.660 1.00 0.00 C ATOM 1860 C PRO B 494 -2.916 -12.482 -7.789 1.00 0.00 C ATOM 1861 O PRO B 494 -3.061 -11.696 -6.856 1.00 0.00 O ATOM 1862 CB PRO B 494 -2.305 -14.736 -6.893 1.00 0.00 C ATOM 1863 CG PRO B 494 -1.450 -15.335 -7.953 1.00 0.00 C ATOM 1864 CD PRO B 494 -2.381 -15.646 -9.088 1.00 0.00 C ATOM 0 HA PRO B 494 -4.334 -13.897 -7.173 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -1.724 -14.095 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -2.765 -15.505 -6.272 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -0.668 -14.643 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -0.953 -16.236 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -1.876 -15.585 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -2.793 -16.652 -9.007 1.00 0.00 H new ATOM 1872 N ASP B 495 -2.377 -12.124 -8.952 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.882 -10.769 -9.175 1.00 0.00 C ATOM 1874 C ASP B 495 -3.022 -9.822 -9.449 1.00 0.00 C ATOM 1875 O ASP B 495 -2.834 -8.637 -9.639 1.00 0.00 O ATOM 1876 CB ASP B 495 -0.935 -10.692 -10.358 1.00 0.00 C ATOM 1877 CG ASP B 495 0.417 -11.328 -10.114 1.00 0.00 C ATOM 1878 OD1 ASP B 495 0.510 -12.575 -10.180 1.00 0.00 O ATOM 1879 OD2 ASP B 495 1.391 -10.596 -9.847 1.00 0.00 O ATOM 0 H ASP B 495 -2.272 -12.750 -9.750 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.352 -10.489 -8.265 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -1.402 -11.177 -11.215 1.00 0.00 H new ATOM 0 HB3 ASP B 495 -0.789 -9.645 -10.624 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.174 -10.369 -9.597 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.375 -9.615 -9.383 1.00 0.00 C ATOM 1886 C ALA B 496 -6.043 -10.160 -8.155 1.00 0.00 C ATOM 1887 O ALA B 496 -6.264 -11.364 -8.026 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.289 -9.615 -10.586 1.00 0.00 C ATOM 0 H ALA B 496 -4.320 -11.342 -9.867 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.124 -8.565 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.181 -9.029 -10.365 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.769 -9.177 -11.438 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.577 -10.639 -10.824 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.255 -9.286 -7.211 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.990 -9.646 -6.014 1.00 0.00 C ATOM 1896 C VAL B 497 -8.458 -9.459 -6.284 1.00 0.00 C ATOM 1897 O VAL B 497 -8.937 -8.354 -6.503 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.522 -8.832 -4.763 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.293 -8.049 -5.098 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.596 -7.890 -4.227 1.00 0.00 C ATOM 0 H VAL B 497 -5.933 -8.319 -7.240 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.791 -10.691 -5.774 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.310 -9.557 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.972 -7.484 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.499 -8.731 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.512 -7.360 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.210 -7.354 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.872 -7.175 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.474 -8.467 -3.936 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.187 -10.535 -6.355 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.556 -10.382 -6.715 1.00 0.00 C ATOM 1912 C ILE B 498 -11.350 -10.244 -5.454 1.00 0.00 C ATOM 1913 O ILE B 498 -11.929 -11.209 -4.951 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.164 -11.482 -7.603 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.308 -11.898 -8.821 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.519 -10.990 -8.105 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.957 -11.266 -8.954 1.00 0.00 C ATOM 0 H ILE B 498 -8.870 -11.488 -6.176 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.600 -9.494 -7.346 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.235 -12.372 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.174 -12.979 -8.786 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.876 -11.676 -9.725 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.971 -11.753 -8.738 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.171 -10.790 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.383 -10.075 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.464 -11.645 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.067 -10.184 -9.031 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.354 -11.508 -8.078 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.347 -9.040 -4.916 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.976 -8.821 -3.652 1.00 0.00 C ATOM 1931 C ILE B 499 -13.450 -8.522 -3.889 1.00 0.00 C ATOM 1932 O ILE B 499 -13.852 -7.378 -4.116 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.241 -7.716 -2.834 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.038 -8.298 -2.069 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.177 -7.001 -1.881 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.098 -9.794 -1.837 1.00 0.00 C ATOM 0 H ILE B 499 -10.919 -8.215 -5.337 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.909 -9.718 -3.037 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.873 -6.982 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.127 -8.066 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.962 -7.797 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.624 -6.239 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.981 -6.529 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.600 -7.720 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.210 -10.114 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.988 -10.037 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.140 -10.310 -2.796 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.226 -9.608 -3.887 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.662 -9.553 -4.082 1.00 0.00 C ATOM 1950 C GLY B 500 -16.088 -8.642 -5.207 1.00 0.00 C ATOM 1951 O GLY B 500 -16.061 -9.030 -6.375 1.00 0.00 O ATOM 0 H GLY B 500 -13.866 -10.552 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.031 -10.559 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.133 -9.218 -3.158 1.00 0.00 H new ATOM 1955 N MET B 501 -16.476 -7.427 -4.834 1.00 0.00 N ATOM 1956 CA MET B 501 -16.916 -6.416 -5.757 1.00 0.00 C ATOM 1957 C MET B 501 -15.969 -6.253 -6.940 1.00 0.00 C ATOM 1958 O MET B 501 -16.415 -6.115 -8.078 1.00 0.00 O ATOM 1959 CB MET B 501 -17.026 -5.091 -5.018 1.00 0.00 C ATOM 1960 CG MET B 501 -17.791 -4.062 -5.791 1.00 0.00 C ATOM 1961 SD MET B 501 -17.440 -2.373 -5.270 1.00 0.00 S ATOM 1962 CE MET B 501 -15.707 -2.247 -5.709 1.00 0.00 C ATOM 0 H MET B 501 -16.490 -7.123 -3.860 1.00 0.00 H new ATOM 0 HA MET B 501 -17.882 -6.727 -6.154 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.514 -5.255 -4.057 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.026 -4.712 -4.808 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.556 -4.164 -6.850 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.858 -4.254 -5.681 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.279 -1.357 -5.248 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.177 -3.131 -5.354 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.610 -2.177 -6.792 1.00 0.00 H new ATOM 1972 N THR B 502 -14.666 -6.277 -6.688 1.00 0.00 N ATOM 1973 CA THR B 502 -13.727 -5.927 -7.739 1.00 0.00 C ATOM 1974 C THR B 502 -12.444 -6.751 -7.738 1.00 0.00 C ATOM 1975 O THR B 502 -11.889 -7.080 -6.694 1.00 0.00 O ATOM 1976 CB THR B 502 -13.416 -4.420 -7.652 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.402 -3.661 -8.360 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.058 -4.088 -8.193 1.00 0.00 C ATOM 0 H THR B 502 -14.247 -6.527 -5.792 1.00 0.00 H new ATOM 0 HA THR B 502 -14.209 -6.166 -8.687 1.00 0.00 H new ATOM 0 HB THR B 502 -13.434 -4.158 -6.594 1.00 0.00 H new ATOM 0 HG1 THR B 502 -13.958 -3.020 -8.953 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.886 -3.015 -8.110 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.298 -4.623 -7.623 1.00 0.00 H new ATOM 0 HG23 THR B 502 -12.001 -4.384 -9.240 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.010 -7.105 -8.945 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.732 -7.738 -9.156 1.00 0.00 C ATOM 1988 C LYS B 503 -9.618 -6.714 -9.318 1.00 0.00 C ATOM 1989 O LYS B 503 -9.622 -5.931 -10.258 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.819 -8.664 -10.366 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.542 -8.763 -11.179 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.449 -10.062 -11.966 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.805 -10.545 -12.467 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.362 -9.665 -13.525 1.00 0.00 N ATOM 0 H LYS B 503 -12.545 -6.956 -9.801 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.484 -8.329 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.095 -9.662 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.622 -8.316 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.488 -7.920 -11.868 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.684 -8.684 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.782 -9.920 -12.816 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.004 -10.832 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.706 -11.559 -12.856 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.503 -10.591 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.284 -10.034 -13.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.482 -8.703 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.710 -9.641 -14.335 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.655 -6.748 -8.402 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.597 -5.767 -8.356 1.00 0.00 C ATOM 2010 C ILE B 504 -6.340 -6.258 -9.012 1.00 0.00 C ATOM 2011 O ILE B 504 -5.599 -7.043 -8.437 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.228 -5.389 -6.928 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.459 -4.942 -6.187 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.219 -4.274 -6.954 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.144 -4.174 -4.935 1.00 0.00 C ATOM 0 H ILE B 504 -8.594 -7.460 -7.674 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.992 -4.903 -8.890 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.801 -6.255 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.067 -4.320 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.059 -5.815 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.952 -4.001 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.327 -4.603 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.646 -3.409 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.072 -3.879 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.561 -4.801 -4.260 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.569 -3.283 -5.189 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.048 -5.740 -10.181 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.849 -6.080 -10.897 1.00 0.00 C ATOM 2029 C PRO B 505 -3.659 -5.356 -10.276 1.00 0.00 C ATOM 2030 O PRO B 505 -3.420 -4.167 -10.506 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.179 -5.621 -12.308 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.068 -4.448 -12.117 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.844 -4.729 -10.871 1.00 0.00 C ATOM 0 HA PRO B 505 -4.567 -7.133 -10.873 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.278 -5.351 -12.859 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.676 -6.408 -12.876 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.489 -3.530 -12.019 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.732 -4.317 -12.971 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.963 -3.832 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.845 -5.095 -11.098 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.982 -6.084 -9.412 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.879 -5.568 -8.630 1.00 0.00 C ATOM 2043 C VAL B 506 -0.537 -5.776 -9.328 1.00 0.00 C ATOM 2044 O VAL B 506 -0.443 -6.460 -10.349 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.827 -6.258 -7.249 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.131 -6.094 -6.492 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.501 -7.725 -7.397 1.00 0.00 C ATOM 0 H VAL B 506 -3.187 -7.067 -9.231 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.050 -4.498 -8.512 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.038 -5.773 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.056 -6.593 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.332 -5.034 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.944 -6.538 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.469 -8.192 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.267 -8.209 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.531 -7.835 -7.882 1.00 0.00 H new ATOM 2057 N ILE B 507 0.489 -5.172 -8.745 1.00 0.00 N ATOM 2058 CA ILE B 507 1.857 -5.246 -9.240 1.00 0.00 C ATOM 2059 C ILE B 507 2.789 -5.558 -8.075 1.00 0.00 C ATOM 2060 O ILE B 507 2.449 -5.273 -6.929 1.00 0.00 O ATOM 2061 CB ILE B 507 2.279 -3.916 -9.900 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.531 -2.866 -8.849 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.176 -3.414 -10.803 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.136 -1.585 -9.375 1.00 0.00 C ATOM 0 H ILE B 507 0.393 -4.607 -7.901 1.00 0.00 H new ATOM 0 HA ILE B 507 1.917 -6.033 -9.992 1.00 0.00 H new ATOM 0 HB ILE B 507 3.188 -4.098 -10.474 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.588 -2.631 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.194 -3.281 -8.090 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.482 -2.475 -11.264 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.977 -4.152 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.271 -3.252 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.283 -0.887 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.096 -1.801 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.466 -1.141 -10.111 1.00 0.00 H new ATOM 2076 N GLU B 508 3.943 -6.146 -8.345 1.00 0.00 N ATOM 2077 CA GLU B 508 4.875 -6.469 -7.276 1.00 0.00 C ATOM 2078 C GLU B 508 5.850 -5.323 -7.032 1.00 0.00 C ATOM 2079 O GLU B 508 6.196 -4.568 -7.942 1.00 0.00 O ATOM 2080 CB GLU B 508 5.616 -7.781 -7.545 1.00 0.00 C ATOM 2081 CG GLU B 508 4.762 -9.008 -7.275 1.00 0.00 C ATOM 2082 CD GLU B 508 5.582 -10.226 -6.893 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.121 -10.260 -5.767 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.690 -11.163 -7.710 1.00 0.00 O ATOM 0 H GLU B 508 4.254 -6.406 -9.281 1.00 0.00 H new ATOM 0 HA GLU B 508 4.290 -6.610 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.950 -7.798 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.510 -7.822 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.057 -8.785 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU B 508 4.173 -9.237 -8.163 1.00 0.00 H new ATOM 2091 N ASN B 509 6.267 -5.205 -5.779 1.00 0.00 N ATOM 2092 CA ASN B 509 7.065 -4.075 -5.304 1.00 0.00 C ATOM 2093 C ASN B 509 8.499 -4.128 -5.813 1.00 0.00 C ATOM 2094 O ASN B 509 9.066 -5.205 -5.997 1.00 0.00 O ATOM 2095 CB ASN B 509 7.085 -4.068 -3.774 1.00 0.00 C ATOM 2096 CG ASN B 509 7.917 -5.201 -3.204 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.107 -5.039 -2.965 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.301 -6.351 -2.984 1.00 0.00 N ATOM 0 H ASN B 509 6.061 -5.894 -5.056 1.00 0.00 H new ATOM 0 HA ASN B 509 6.602 -3.167 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.482 -3.116 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.064 -4.145 -3.399 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.819 -7.142 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.308 -6.446 -3.196 1.00 0.00 H new ATOM 2105 N PRO B 510 9.101 -2.956 -6.063 1.00 0.00 N ATOM 2106 CA PRO B 510 10.518 -2.842 -6.380 1.00 0.00 C ATOM 2107 C PRO B 510 11.395 -2.815 -5.126 1.00 0.00 C ATOM 2108 O PRO B 510 12.613 -2.755 -5.229 1.00 0.00 O ATOM 2109 CB PRO B 510 10.624 -1.495 -7.117 1.00 0.00 C ATOM 2110 CG PRO B 510 9.231 -0.958 -7.204 1.00 0.00 C ATOM 2111 CD PRO B 510 8.451 -1.645 -6.125 1.00 0.00 C ATOM 0 HA PRO B 510 10.864 -3.695 -6.964 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.274 -0.806 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.053 -1.627 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.221 0.123 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.798 -1.156 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.514 -1.114 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.393 -1.726 -6.375 1.00 0.00 H new ATOM 2119 N GLN B 511 10.777 -2.867 -3.943 1.00 0.00 N ATOM 2120 CA GLN B 511 11.528 -2.791 -2.686 1.00 0.00 C ATOM 2121 C GLN B 511 12.365 -4.046 -2.478 1.00 0.00 C ATOM 2122 O GLN B 511 13.537 -3.971 -2.115 1.00 0.00 O ATOM 2123 CB GLN B 511 10.588 -2.582 -1.491 1.00 0.00 C ATOM 2124 CG GLN B 511 10.154 -1.137 -1.264 1.00 0.00 C ATOM 2125 CD GLN B 511 10.390 -0.245 -2.464 1.00 0.00 C ATOM 2126 OE1 GLN B 511 11.449 0.361 -2.604 1.00 0.00 O ATOM 2127 NE2 GLN B 511 9.407 -0.153 -3.336 1.00 0.00 N ATOM 0 H GLN B 511 9.768 -2.961 -3.829 1.00 0.00 H new ATOM 0 HA GLN B 511 12.196 -1.932 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.699 -3.196 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.083 -2.944 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.094 -1.119 -1.010 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.694 -0.733 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN B 511 8.542 -0.672 -3.186 1.00 0.00 H new ATOM 0 HE22 GLN B 511 9.511 0.437 -4.162 1.00 0.00 H new HETATM 2136 N PTR B 512 11.762 -5.197 -2.740 1.00 0.00 N HETATM 2137 CA PTR B 512 12.449 -6.477 -2.612 1.00 0.00 C HETATM 2138 C PTR B 512 13.528 -6.613 -3.683 1.00 0.00 C HETATM 2139 O PTR B 512 14.399 -7.479 -3.599 1.00 0.00 O HETATM 2140 CB PTR B 512 11.460 -7.641 -2.752 1.00 0.00 C HETATM 2141 CG PTR B 512 10.440 -7.784 -1.632 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.145 -6.742 -0.756 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.753 -8.979 -1.467 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.207 -6.888 0.234 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.812 -9.131 -0.471 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.544 -8.083 0.377 1.00 0.00 C HETATM 2147 OH PTR B 512 7.603 -8.223 1.365 1.00 0.00 O HETATM 2148 P PTR B 512 7.878 -9.316 2.524 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.376 -9.302 2.699 1.00 0.00 O HETATM 2150 O2P PTR B 512 7.189 -10.620 1.934 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.217 -8.700 3.736 1.00 0.00 O HETATM 0 HE2 PTR B 512 8.283 -10.077 -0.357 1.00 0.00 H new HETATM 0 HE1 PTR B 512 8.988 -6.058 0.906 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.961 -9.813 -2.137 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.670 -5.792 -0.859 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.923 -7.525 -3.694 1.00 0.00 H new HETATM 0 HB2 PTR B 512 12.028 -8.569 -2.821 1.00 0.00 H new HETATM 0 HA PTR B 512 12.908 -6.510 -1.624 1.00 0.00 H new ATOM 2161 N PHE B 513 13.461 -5.757 -4.692 1.00 0.00 N ATOM 2162 CA PHE B 513 14.382 -5.826 -5.814 1.00 0.00 C ATOM 2163 C PHE B 513 15.303 -4.616 -5.852 1.00 0.00 C ATOM 2164 O PHE B 513 16.171 -4.508 -6.719 1.00 0.00 O ATOM 2165 CB PHE B 513 13.613 -5.939 -7.119 1.00 0.00 C ATOM 2166 CG PHE B 513 12.790 -7.174 -7.209 1.00 0.00 C ATOM 2167 CD1 PHE B 513 13.387 -8.352 -7.584 1.00 0.00 C ATOM 2168 CD2 PHE B 513 11.435 -7.162 -6.930 1.00 0.00 C ATOM 2169 CE1 PHE B 513 12.659 -9.507 -7.683 1.00 0.00 C ATOM 2170 CE2 PHE B 513 10.693 -8.321 -7.026 1.00 0.00 C ATOM 2171 CZ PHE B 513 11.307 -9.498 -7.404 1.00 0.00 C ATOM 0 H PHE B 513 12.775 -5.004 -4.756 1.00 0.00 H new ATOM 0 HA PHE B 513 15.000 -6.714 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE B 513 12.965 -5.069 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE B 513 14.317 -5.918 -7.951 1.00 0.00 H new ATOM 0 HD1 PHE B 513 14.444 -8.368 -7.804 1.00 0.00 H new ATOM 0 HD2 PHE B 513 10.955 -6.240 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE B 513 13.143 -10.426 -7.980 1.00 0.00 H new ATOM 0 HE2 PHE B 513 9.636 -8.307 -6.806 1.00 0.00 H new ATOM 0 HZ PHE B 513 10.732 -10.409 -7.481 1.00 0.00 H new ATOM 2181 N GLY B 514 15.130 -3.722 -4.895 1.00 0.00 N ATOM 2182 CA GLY B 514 15.921 -2.513 -4.858 1.00 0.00 C ATOM 2183 C GLY B 514 16.414 -2.208 -3.465 1.00 0.00 C ATOM 2184 O GLY B 514 16.269 -1.089 -2.976 1.00 0.00 O ATOM 0 H GLY B 514 14.452 -3.813 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.773 -2.615 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY B 514 15.325 -1.677 -5.224 1.00 0.00 H new ATOM 2188 N ILE B 515 16.997 -3.207 -2.824 1.00 0.00 N ATOM 2189 CA ILE B 515 17.512 -3.049 -1.475 1.00 0.00 C ATOM 2190 C ILE B 515 19.005 -2.751 -1.503 1.00 0.00 C ATOM 2191 O ILE B 515 19.378 -1.583 -1.276 1.00 0.00 O ATOM 2192 CB ILE B 515 17.216 -4.280 -0.576 1.00 0.00 C ATOM 2193 CG1 ILE B 515 16.972 -5.555 -1.402 1.00 0.00 C ATOM 2194 CG2 ILE B 515 16.020 -3.999 0.320 1.00 0.00 C ATOM 2195 CD1 ILE B 515 18.229 -6.201 -1.947 1.00 0.00 C ATOM 2196 OXT ILE B 515 19.797 -3.666 -1.798 1.00 0.00 O ATOM 0 H ILE B 515 17.126 -4.139 -3.218 1.00 0.00 H new ATOM 0 HA ILE B 515 16.989 -2.201 -1.033 1.00 0.00 H new ATOM 0 HB ILE B 515 18.098 -4.454 0.040 1.00 0.00 H new ATOM 0 HG12 ILE B 515 16.446 -6.280 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE B 515 16.313 -5.312 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE B 515 15.822 -4.869 0.946 1.00 0.00 H new ATOM 0 HG22 ILE B 515 16.234 -3.138 0.953 1.00 0.00 H new ATOM 0 HG23 ILE B 515 15.146 -3.788 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE B 515 17.963 -7.092 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE B 515 18.747 -5.497 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE B 515 18.883 -6.480 -1.120 1.00 0.00 H new TER 2208 ILE B 515