USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.0307 K(o=-0.031,f=-2.1) USER MOD Set 2.1: A 10 MET CE :methyl 161:sc= -0.861 (180deg=-1.63) USER MOD Set 2.2: A 24 TYR OH : rot 18:sc= 1.26 USER MOD Set 3.1: A 17 ASN : amide:sc= 0.123 X(o=0.25,f=-0.00062) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -148:sc= 0.127 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 35:sc= 0.137 USER MOD Set 4.2: A 16 SER OG : rot 90:sc= -0.374 USER MOD Set 5.1: A 1 MET N :NH3+ -140:sc= 0.683 (180deg=0) USER MOD Set 5.2: A 33 ASN :FLIP amide:sc= 0.56 F(o=-1.1,f=1.2) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0906 (180deg=-0.853) USER MOD Single : A 3 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.55) USER MOD Single : A 4 MET CE :methyl -129:sc= -1.52 (180deg=-6.3!) USER MOD Single : A 5 LYS NZ :NH3+ -103:sc= 1.3 (180deg=0.2) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 1.21 (180deg=0.68) USER MOD Single : A 18 SER OG : rot 180:sc= 0.757 USER MOD Single : A 22 CYS SG : rot -168:sc= 0.521 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 1.98 (180deg=1.24!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 19:sc= 0.0302 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.253 K(o=0.25,f=-1.2) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 61 CYS SG : rot -156:sc= -2.88! USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-2.7!,f=0) USER MOD Single : A 65 SER OG : rot -110:sc= 0.00046 USER MOD Single : A 69 TYR OH : rot 32:sc= 0.963 USER MOD Single : A 70 LYS NZ :NH3+ -150:sc=-0.000651 (180deg=-0.188) USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= 0.487 (180deg=0.146) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= -0.0052 (180deg=-0.131) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0.0094) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.324 (180deg=-0.63) USER MOD Single : A 89 ASN : amide:sc= 1.16 K(o=1.2,f=-7.4!) USER MOD Single : A 91 SER OG : rot -49:sc= 0.00851 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 15.873 -1.452 6.464 1.00 0.00 N ATOM 26 CA MET A 1 14.591 -2.079 6.777 1.00 0.00 C ATOM 27 C MET A 1 14.457 -3.495 6.206 1.00 0.00 C ATOM 28 O MET A 1 14.584 -3.684 4.993 1.00 0.00 O ATOM 29 CB MET A 1 13.451 -1.257 6.175 1.00 0.00 C ATOM 30 CG MET A 1 12.089 -1.783 6.650 1.00 0.00 C ATOM 31 SD MET A 1 11.835 -1.920 8.446 1.00 0.00 S ATOM 32 CE MET A 1 10.292 -2.880 8.482 1.00 0.00 C ATOM 0 H1 MET A 1 16.212 -0.923 7.293 1.00 0.00 H new ATOM 0 H2 MET A 1 16.566 -2.186 6.214 1.00 0.00 H new ATOM 0 H3 MET A 1 15.754 -0.800 5.662 1.00 0.00 H new ATOM 0 HA MET A 1 14.542 -2.127 7.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.561 -0.211 6.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.502 -1.298 5.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.315 -1.130 6.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.935 -2.768 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.153 -3.309 9.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.451 -2.227 8.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.345 -3.681 7.745 1.00 0.00 H new ATOM 42 N ILE A 2 14.047 -4.443 7.048 1.00 0.00 N ATOM 43 CA ILE A 2 13.726 -5.821 6.708 1.00 0.00 C ATOM 44 C ILE A 2 12.300 -6.124 7.173 1.00 0.00 C ATOM 45 O ILE A 2 11.875 -5.612 8.212 1.00 0.00 O ATOM 46 CB ILE A 2 14.731 -6.722 7.443 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.188 -6.404 7.039 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.429 -8.210 7.234 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.144 -6.624 8.201 1.00 0.00 C ATOM 0 H ILE A 2 13.924 -4.254 8.043 1.00 0.00 H new ATOM 0 HA ILE A 2 13.787 -5.993 5.633 1.00 0.00 H new ATOM 0 HB ILE A 2 14.619 -6.505 8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.481 -7.035 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.256 -5.370 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.164 -8.809 7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.431 -8.435 7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.476 -8.445 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.161 -6.392 7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.865 -5.974 9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.093 -7.664 8.522 1.00 0.00 H new ATOM 61 N ASN A 3 11.613 -7.045 6.489 1.00 0.00 N ATOM 62 CA ASN A 3 10.255 -7.524 6.761 1.00 0.00 C ATOM 63 C ASN A 3 9.194 -6.419 6.667 1.00 0.00 C ATOM 64 O ASN A 3 8.167 -6.471 7.340 1.00 0.00 O ATOM 65 CB ASN A 3 10.178 -8.313 8.081 1.00 0.00 C ATOM 66 CG ASN A 3 8.858 -9.073 8.231 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.411 -9.796 7.336 1.00 0.00 O ATOM 68 ND2 ASN A 3 8.228 -8.975 9.389 1.00 0.00 N ATOM 0 H ASN A 3 12.020 -7.507 5.675 1.00 0.00 H new ATOM 0 HA ASN A 3 10.012 -8.224 5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.008 -9.018 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.296 -7.626 8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.367 -9.499 9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.603 -8.376 10.124 1.00 0.00 H new ATOM 75 N MET A 4 9.428 -5.384 5.859 1.00 0.00 N ATOM 76 CA MET A 4 8.397 -4.398 5.570 1.00 0.00 C ATOM 77 C MET A 4 7.463 -5.027 4.540 1.00 0.00 C ATOM 78 O MET A 4 7.902 -5.792 3.675 1.00 0.00 O ATOM 79 CB MET A 4 9.071 -3.150 5.001 1.00 0.00 C ATOM 80 CG MET A 4 8.175 -1.938 4.723 1.00 0.00 C ATOM 81 SD MET A 4 8.084 -0.717 6.065 1.00 0.00 S ATOM 82 CE MET A 4 9.387 0.468 5.578 1.00 0.00 C ATOM 0 H MET A 4 10.321 -5.211 5.397 1.00 0.00 H new ATOM 0 HA MET A 4 7.834 -4.112 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.852 -2.841 5.696 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.564 -3.427 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.536 -1.439 3.824 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.167 -2.293 4.508 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.054 0.642 6.422 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.957 0.060 4.743 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.928 1.410 5.278 1.00 0.00 H new ATOM 92 N LYS A 5 6.186 -4.655 4.579 1.00 0.00 N ATOM 93 CA LYS A 5 5.230 -4.985 3.531 1.00 0.00 C ATOM 94 C LYS A 5 4.327 -3.800 3.307 1.00 0.00 C ATOM 95 O LYS A 5 3.897 -3.191 4.289 1.00 0.00 O ATOM 96 CB LYS A 5 4.391 -6.191 3.949 1.00 0.00 C ATOM 97 CG LYS A 5 5.082 -7.504 3.621 1.00 0.00 C ATOM 98 CD LYS A 5 4.245 -8.648 4.177 1.00 0.00 C ATOM 99 CE LYS A 5 5.034 -9.926 3.961 1.00 0.00 C ATOM 100 NZ LYS A 5 4.495 -11.004 4.799 1.00 0.00 N ATOM 0 H LYS A 5 5.785 -4.113 5.344 1.00 0.00 H new ATOM 0 HA LYS A 5 5.765 -5.228 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.194 -6.142 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.425 -6.153 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.199 -7.611 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.082 -7.523 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.041 -8.496 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.281 -8.701 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.990 -10.216 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.084 -9.759 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.116 -11.148 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.542 -10.746 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.445 -11.883 4.245 1.00 0.00 H new ATOM 114 N VAL A 6 3.986 -3.506 2.057 1.00 0.00 N ATOM 115 CA VAL A 6 3.139 -2.373 1.730 1.00 0.00 C ATOM 116 C VAL A 6 2.177 -2.740 0.622 1.00 0.00 C ATOM 117 O VAL A 6 2.614 -3.245 -0.402 1.00 0.00 O ATOM 118 CB VAL A 6 4.010 -1.182 1.328 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.175 -0.053 0.725 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.766 -0.657 2.539 1.00 0.00 C ATOM 0 H VAL A 6 4.290 -4.046 1.247 1.00 0.00 H new ATOM 0 HA VAL A 6 2.552 -2.095 2.605 1.00 0.00 H new ATOM 0 HB VAL A 6 4.714 -1.529 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.828 0.776 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.659 -0.417 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.442 0.288 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.384 0.191 2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.055 -0.339 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.402 -1.446 2.941 1.00 0.00 H new ATOM 130 N ALA A 7 0.890 -2.447 0.804 1.00 0.00 N ATOM 131 CA ALA A 7 -0.120 -2.563 -0.235 1.00 0.00 C ATOM 132 C ALA A 7 -0.175 -1.250 -1.013 1.00 0.00 C ATOM 133 O ALA A 7 -0.680 -0.256 -0.487 1.00 0.00 O ATOM 134 CB ALA A 7 -1.481 -2.886 0.398 1.00 0.00 C ATOM 0 H ALA A 7 0.518 -2.117 1.695 1.00 0.00 H new ATOM 0 HA ALA A 7 0.133 -3.372 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.235 -2.972 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.415 -3.828 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.761 -2.088 1.086 1.00 0.00 H new ATOM 140 N ILE A 8 0.335 -1.229 -2.246 1.00 0.00 N ATOM 141 CA ILE A 8 0.159 -0.094 -3.147 1.00 0.00 C ATOM 142 C ILE A 8 -1.090 -0.377 -3.981 1.00 0.00 C ATOM 143 O ILE A 8 -1.141 -1.423 -4.633 1.00 0.00 O ATOM 144 CB ILE A 8 1.405 0.135 -4.034 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.678 0.247 -3.168 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.213 1.405 -4.888 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.956 0.504 -3.967 1.00 0.00 C ATOM 0 H ILE A 8 0.878 -1.995 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 8 0.036 0.828 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 8 1.526 -0.721 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.544 1.054 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.798 -0.674 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.094 1.561 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.335 1.287 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.074 2.266 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.804 0.570 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.117 -0.314 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.859 1.440 -4.517 1.00 0.00 H new ATOM 159 N SER A 9 -2.095 0.506 -3.986 1.00 0.00 N ATOM 160 CA SER A 9 -3.193 0.380 -4.944 1.00 0.00 C ATOM 161 C SER A 9 -2.672 0.514 -6.386 1.00 0.00 C ATOM 162 O SER A 9 -2.027 1.526 -6.680 1.00 0.00 O ATOM 163 CB SER A 9 -4.169 1.503 -4.621 1.00 0.00 C ATOM 164 OG SER A 9 -3.499 2.741 -4.754 1.00 0.00 O ATOM 0 H SER A 9 -2.169 1.300 -3.350 1.00 0.00 H new ATOM 0 HA SER A 9 -3.673 -0.596 -4.869 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.026 1.463 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.554 1.389 -3.608 1.00 0.00 H new ATOM 0 HG SER A 9 -2.854 2.687 -5.490 1.00 0.00 H new ATOM 170 N MET A 10 -2.983 -0.418 -7.290 1.00 0.00 N ATOM 171 CA MET A 10 -2.669 -0.297 -8.711 1.00 0.00 C ATOM 172 C MET A 10 -3.921 -0.501 -9.559 1.00 0.00 C ATOM 173 O MET A 10 -4.921 -1.074 -9.113 1.00 0.00 O ATOM 174 CB MET A 10 -1.582 -1.296 -9.127 1.00 0.00 C ATOM 175 CG MET A 10 -0.279 -1.162 -8.328 1.00 0.00 C ATOM 176 SD MET A 10 1.248 -1.692 -9.155 1.00 0.00 S ATOM 177 CE MET A 10 1.247 -0.673 -10.657 1.00 0.00 C ATOM 0 H MET A 10 -3.464 -1.285 -7.051 1.00 0.00 H new ATOM 0 HA MET A 10 -2.289 0.711 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.968 -2.309 -9.008 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.363 -1.160 -10.186 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.164 -0.117 -8.039 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.384 -1.737 -7.408 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.253 -0.639 -11.074 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.565 -1.105 -11.389 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.922 0.338 -10.411 1.00 0.00 H new ATOM 187 N ASP A 11 -3.851 -0.014 -10.797 1.00 0.00 N ATOM 188 CA ASP A 11 -4.928 -0.066 -11.784 1.00 0.00 C ATOM 189 C ASP A 11 -4.550 -1.099 -12.837 1.00 0.00 C ATOM 190 O ASP A 11 -5.139 -2.177 -12.917 1.00 0.00 O ATOM 191 CB ASP A 11 -5.137 1.335 -12.388 1.00 0.00 C ATOM 192 CG ASP A 11 -6.615 1.640 -12.575 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.228 1.105 -13.521 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.187 2.399 -11.762 1.00 0.00 O ATOM 0 H ASP A 11 -3.012 0.444 -11.153 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.873 -0.363 -11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.688 2.085 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.626 1.400 -13.348 1.00 0.00 H new ATOM 199 N VAL A 12 -3.487 -0.813 -13.583 1.00 0.00 N ATOM 200 CA VAL A 12 -2.809 -1.746 -14.445 1.00 0.00 C ATOM 201 C VAL A 12 -1.351 -1.394 -14.206 1.00 0.00 C ATOM 202 O VAL A 12 -0.685 -2.064 -13.419 1.00 0.00 O ATOM 203 CB VAL A 12 -3.286 -1.621 -15.912 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.563 -2.662 -16.776 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.810 -1.791 -16.049 1.00 0.00 C ATOM 0 H VAL A 12 -3.066 0.116 -13.596 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.007 -2.797 -14.235 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.043 -0.615 -16.254 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.899 -2.574 -17.809 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.488 -2.491 -16.728 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.788 -3.662 -16.405 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.094 -1.695 -17.097 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.101 -2.776 -15.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.316 -1.023 -15.464 1.00 0.00 H new ATOM 215 N ASP A 13 -0.924 -0.256 -14.758 1.00 0.00 N ATOM 216 CA ASP A 13 0.475 -0.029 -15.110 1.00 0.00 C ATOM 217 C ASP A 13 1.079 1.170 -14.369 1.00 0.00 C ATOM 218 O ASP A 13 2.152 1.677 -14.701 1.00 0.00 O ATOM 219 CB ASP A 13 0.538 0.137 -16.638 1.00 0.00 C ATOM 220 CG ASP A 13 1.848 -0.349 -17.253 1.00 0.00 C ATOM 221 OD1 ASP A 13 2.010 -1.581 -17.388 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.664 0.492 -17.697 1.00 0.00 O ATOM 0 H ASP A 13 -1.538 0.530 -14.972 1.00 0.00 H new ATOM 0 HA ASP A 13 1.081 -0.880 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.290 -0.410 -17.089 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.398 1.189 -16.887 1.00 0.00 H new ATOM 227 N LYS A 14 0.331 1.686 -13.393 1.00 0.00 N ATOM 228 CA LYS A 14 0.669 2.760 -12.468 1.00 0.00 C ATOM 229 C LYS A 14 -0.315 2.691 -11.300 1.00 0.00 C ATOM 230 O LYS A 14 -1.223 1.845 -11.304 1.00 0.00 O ATOM 231 CB LYS A 14 0.637 4.137 -13.165 1.00 0.00 C ATOM 232 CG LYS A 14 -0.712 4.482 -13.822 1.00 0.00 C ATOM 233 CD LYS A 14 -0.687 4.543 -15.352 1.00 0.00 C ATOM 234 CE LYS A 14 -0.112 5.840 -15.932 1.00 0.00 C ATOM 235 NZ LYS A 14 1.361 5.924 -15.903 1.00 0.00 N ATOM 0 H LYS A 14 -0.608 1.329 -13.217 1.00 0.00 H new ATOM 0 HA LYS A 14 1.688 2.635 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.879 4.908 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.416 4.164 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.450 3.741 -13.514 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.050 5.445 -13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.102 3.703 -15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.703 4.414 -15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.449 5.942 -16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.522 6.684 -15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.696 6.432 -16.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.663 6.434 -15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.763 4.965 -15.894 1.00 0.00 H new ATOM 249 N ILE A 15 -0.143 3.576 -10.318 1.00 0.00 N ATOM 250 CA ILE A 15 -1.073 3.724 -9.200 1.00 0.00 C ATOM 251 C ILE A 15 -2.474 4.047 -9.759 1.00 0.00 C ATOM 252 O ILE A 15 -2.604 4.690 -10.808 1.00 0.00 O ATOM 253 CB ILE A 15 -0.508 4.760 -8.189 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.826 4.216 -7.619 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.481 5.071 -7.034 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.557 5.137 -6.640 1.00 0.00 C ATOM 0 H ILE A 15 0.651 4.214 -10.276 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.182 2.800 -8.632 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.355 5.697 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.626 3.269 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.494 4.000 -8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.028 5.801 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.408 5.477 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.696 4.156 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.476 4.656 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.799 6.077 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.917 5.335 -5.780 1.00 0.00 H new ATOM 268 N SER A 16 -3.506 3.550 -9.074 1.00 0.00 N ATOM 269 CA SER A 16 -4.924 3.745 -9.367 1.00 0.00 C ATOM 270 C SER A 16 -5.455 5.067 -8.788 1.00 0.00 C ATOM 271 O SER A 16 -4.678 5.999 -8.565 1.00 0.00 O ATOM 272 CB SER A 16 -5.683 2.534 -8.826 1.00 0.00 C ATOM 273 OG SER A 16 -5.300 2.257 -7.497 1.00 0.00 O ATOM 0 H SER A 16 -3.363 2.965 -8.250 1.00 0.00 H new ATOM 0 HA SER A 16 -5.073 3.822 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.756 2.723 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.487 1.665 -9.455 1.00 0.00 H new ATOM 0 HG SER A 16 -5.879 2.751 -6.880 1.00 0.00 H new ATOM 279 N ASN A 17 -6.776 5.169 -8.554 1.00 0.00 N ATOM 280 CA ASN A 17 -7.393 6.389 -8.043 1.00 0.00 C ATOM 281 C ASN A 17 -7.873 6.309 -6.599 1.00 0.00 C ATOM 282 O ASN A 17 -7.986 7.355 -5.959 1.00 0.00 O ATOM 283 CB ASN A 17 -8.522 6.880 -8.948 1.00 0.00 C ATOM 284 CG ASN A 17 -8.499 8.402 -8.973 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.614 8.988 -9.589 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.414 9.075 -8.300 1.00 0.00 N ATOM 0 H ASN A 17 -7.436 4.408 -8.715 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.582 7.117 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.398 6.483 -9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.484 6.522 -8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.391 10.095 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.144 8.575 -7.792 1.00 0.00 H new ATOM 293 N SER A 18 -8.120 5.120 -6.045 1.00 0.00 N ATOM 294 CA SER A 18 -8.346 4.991 -4.602 1.00 0.00 C ATOM 295 C SER A 18 -7.986 3.586 -4.120 1.00 0.00 C ATOM 296 O SER A 18 -7.268 2.874 -4.831 1.00 0.00 O ATOM 297 CB SER A 18 -9.750 5.489 -4.214 1.00 0.00 C ATOM 298 OG SER A 18 -10.762 4.701 -4.799 1.00 0.00 O ATOM 0 H SER A 18 -8.168 4.243 -6.564 1.00 0.00 H new ATOM 0 HA SER A 18 -7.668 5.650 -4.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.856 5.471 -3.129 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.868 6.526 -4.529 1.00 0.00 H new ATOM 0 HG SER A 18 -11.640 5.044 -4.530 1.00 0.00 H new ATOM 304 N PHE A 19 -8.368 3.240 -2.889 1.00 0.00 N ATOM 305 CA PHE A 19 -8.294 1.892 -2.343 1.00 0.00 C ATOM 306 C PHE A 19 -9.468 1.033 -2.838 1.00 0.00 C ATOM 307 O PHE A 19 -9.319 -0.176 -2.942 1.00 0.00 O ATOM 308 CB PHE A 19 -8.266 1.977 -0.805 1.00 0.00 C ATOM 309 CG PHE A 19 -7.931 0.673 -0.094 1.00 0.00 C ATOM 310 CD1 PHE A 19 -8.922 -0.311 0.087 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.629 0.431 0.391 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.612 -1.528 0.715 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.309 -0.798 0.996 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.301 -1.782 1.155 1.00 0.00 C ATOM 0 H PHE A 19 -8.749 3.916 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.380 1.408 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.536 2.731 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.239 2.323 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.928 -0.128 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.872 1.195 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.382 -2.271 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.302 -0.986 1.338 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.057 -2.729 1.613 1.00 0.00 H new ATOM 324 N GLU A 20 -10.626 1.635 -3.136 1.00 0.00 N ATOM 325 CA GLU A 20 -11.769 0.920 -3.711 1.00 0.00 C ATOM 326 C GLU A 20 -11.676 0.935 -5.234 1.00 0.00 C ATOM 327 O GLU A 20 -11.904 -0.082 -5.879 1.00 0.00 O ATOM 328 CB GLU A 20 -13.092 1.566 -3.257 1.00 0.00 C ATOM 329 CG GLU A 20 -13.753 0.843 -2.080 1.00 0.00 C ATOM 330 CD GLU A 20 -14.445 -0.459 -2.481 1.00 0.00 C ATOM 331 OE1 GLU A 20 -13.753 -1.439 -2.818 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.687 -0.537 -2.328 1.00 0.00 O ATOM 0 H GLU A 20 -10.796 2.629 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.749 -0.112 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.904 2.602 -2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.786 1.584 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.997 0.627 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.484 1.507 -1.619 1.00 0.00 H new ATOM 339 N ASP A 21 -11.327 2.078 -5.829 1.00 0.00 N ATOM 340 CA ASP A 21 -10.969 2.188 -7.235 1.00 0.00 C ATOM 341 C ASP A 21 -9.473 1.934 -7.338 1.00 0.00 C ATOM 342 O ASP A 21 -8.678 2.799 -7.717 1.00 0.00 O ATOM 343 CB ASP A 21 -11.374 3.526 -7.866 1.00 0.00 C ATOM 344 CG ASP A 21 -11.048 3.532 -9.361 1.00 0.00 C ATOM 345 OD1 ASP A 21 -11.234 2.490 -10.032 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.688 4.605 -9.897 1.00 0.00 O ATOM 0 H ASP A 21 -11.286 2.968 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.526 1.447 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.441 3.696 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.850 4.343 -7.370 1.00 0.00 H new ATOM 351 N CYS A 22 -9.108 0.720 -6.947 1.00 0.00 N ATOM 352 CA CYS A 22 -7.979 -0.011 -7.481 1.00 0.00 C ATOM 353 C CYS A 22 -8.487 -1.331 -8.045 1.00 0.00 C ATOM 354 O CYS A 22 -9.614 -1.755 -7.784 1.00 0.00 O ATOM 355 CB CYS A 22 -6.897 -0.225 -6.421 1.00 0.00 C ATOM 356 SG CYS A 22 -7.417 -1.434 -5.180 1.00 0.00 S ATOM 0 H CYS A 22 -9.611 0.204 -6.224 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.511 0.567 -8.278 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.979 -0.565 -6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.670 0.723 -5.934 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.597 -1.400 -4.171 1.00 0.00 H new ATOM 362 N LYS A 23 -7.634 -1.973 -8.832 1.00 0.00 N ATOM 363 CA LYS A 23 -7.928 -3.212 -9.536 1.00 0.00 C ATOM 364 C LYS A 23 -7.120 -4.337 -8.907 1.00 0.00 C ATOM 365 O LYS A 23 -7.577 -5.481 -8.915 1.00 0.00 O ATOM 366 CB LYS A 23 -7.545 -3.040 -11.009 1.00 0.00 C ATOM 367 CG LYS A 23 -8.508 -2.203 -11.873 1.00 0.00 C ATOM 368 CD LYS A 23 -8.946 -0.834 -11.326 1.00 0.00 C ATOM 369 CE LYS A 23 -9.735 -0.055 -12.383 1.00 0.00 C ATOM 370 NZ LYS A 23 -9.801 1.388 -12.066 1.00 0.00 N ATOM 0 H LYS A 23 -6.687 -1.634 -9.003 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.989 -3.454 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.558 -2.580 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.456 -4.030 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.037 -2.042 -12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.405 -2.797 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.560 -0.972 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.070 -0.261 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.269 -0.192 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.745 -0.458 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.029 1.923 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.538 1.553 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.882 1.704 -11.695 1.00 0.00 H new ATOM 384 N TYR A 24 -5.948 -4.023 -8.345 1.00 0.00 N ATOM 385 CA TYR A 24 -5.185 -4.899 -7.480 1.00 0.00 C ATOM 386 C TYR A 24 -4.397 -4.067 -6.472 1.00 0.00 C ATOM 387 O TYR A 24 -4.301 -2.843 -6.583 1.00 0.00 O ATOM 388 CB TYR A 24 -4.284 -5.835 -8.310 1.00 0.00 C ATOM 389 CG TYR A 24 -3.158 -5.197 -9.095 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.404 -4.675 -10.378 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.848 -5.210 -8.582 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.343 -4.179 -11.157 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.790 -4.711 -9.352 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.023 -4.204 -10.652 1.00 0.00 C ATOM 395 OH TYR A 24 0.018 -3.751 -11.403 1.00 0.00 O ATOM 0 H TYR A 24 -5.498 -3.119 -8.491 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.864 -5.541 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.849 -6.572 -7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.917 -6.380 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.412 -4.655 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.658 -5.605 -7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.537 -3.779 -12.141 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.212 -4.713 -8.950 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.323 -3.189 -12.130 1.00 0.00 H new ATOM 405 N PHE A 25 -3.828 -4.756 -5.493 1.00 0.00 N ATOM 406 CA PHE A 25 -2.868 -4.274 -4.532 1.00 0.00 C ATOM 407 C PHE A 25 -1.568 -4.967 -4.871 1.00 0.00 C ATOM 408 O PHE A 25 -1.495 -6.199 -4.881 1.00 0.00 O ATOM 409 CB PHE A 25 -3.298 -4.622 -3.107 1.00 0.00 C ATOM 410 CG PHE A 25 -4.639 -4.035 -2.751 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.761 -2.666 -2.454 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.774 -4.859 -2.801 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.030 -2.131 -2.165 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.042 -4.316 -2.524 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.167 -2.960 -2.193 1.00 0.00 C ATOM 0 H PHE A 25 -4.048 -5.741 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.775 -3.189 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.338 -5.706 -2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.548 -4.258 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.888 -2.030 -2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.675 -5.905 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.132 -1.084 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.919 -4.944 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.138 -2.550 -1.959 1.00 0.00 H new ATOM 425 N LEU A 26 -0.553 -4.181 -5.193 1.00 0.00 N ATOM 426 CA LEU A 26 0.805 -4.675 -5.262 1.00 0.00 C ATOM 427 C LEU A 26 1.291 -4.718 -3.811 1.00 0.00 C ATOM 428 O LEU A 26 1.497 -3.654 -3.227 1.00 0.00 O ATOM 429 CB LEU A 26 1.626 -3.740 -6.165 1.00 0.00 C ATOM 430 CG LEU A 26 2.985 -4.271 -6.644 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.902 -4.627 -5.483 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.870 -5.482 -7.577 1.00 0.00 C ATOM 0 H LEU A 26 -0.650 -3.190 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 26 0.899 -5.668 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.026 -3.498 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.794 -2.807 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 26 3.419 -3.447 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.851 -4.998 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.080 -3.740 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.433 -5.398 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.867 -5.806 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.366 -6.296 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.296 -5.206 -8.462 1.00 0.00 H new ATOM 444 N ILE A 27 1.403 -5.897 -3.186 1.00 0.00 N ATOM 445 CA ILE A 27 2.055 -6.007 -1.887 1.00 0.00 C ATOM 446 C ILE A 27 3.555 -6.008 -2.177 1.00 0.00 C ATOM 447 O ILE A 27 4.115 -7.020 -2.602 1.00 0.00 O ATOM 448 CB ILE A 27 1.586 -7.206 -1.033 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.056 -7.399 -1.032 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.127 -7.096 0.409 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.767 -6.209 -0.529 1.00 0.00 C ATOM 0 H ILE A 27 1.052 -6.778 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 27 1.778 -5.165 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 27 2.003 -8.096 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.262 -7.633 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.181 -8.267 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.784 -7.951 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.217 -7.084 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.762 -6.176 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.828 -6.456 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.489 -5.983 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.571 -5.340 -1.157 1.00 0.00 H new ATOM 463 N VAL A 28 4.206 -4.860 -2.029 1.00 0.00 N ATOM 464 CA VAL A 28 5.656 -4.777 -2.011 1.00 0.00 C ATOM 465 C VAL A 28 6.121 -5.507 -0.749 1.00 0.00 C ATOM 466 O VAL A 28 5.436 -5.457 0.278 1.00 0.00 O ATOM 467 CB VAL A 28 6.104 -3.301 -1.988 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.618 -3.174 -2.215 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.441 -2.443 -3.070 1.00 0.00 C ATOM 0 H VAL A 28 3.739 -3.960 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 28 6.091 -5.232 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 28 5.806 -2.945 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.902 -2.122 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.150 -3.710 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.878 -3.600 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.803 -1.418 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.688 -2.843 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.360 -2.457 -2.934 1.00 0.00 H new ATOM 479 N ARG A 29 7.287 -6.154 -0.801 1.00 0.00 N ATOM 480 CA ARG A 29 7.976 -6.661 0.372 1.00 0.00 C ATOM 481 C ARG A 29 9.415 -6.172 0.278 1.00 0.00 C ATOM 482 O ARG A 29 10.254 -6.819 -0.359 1.00 0.00 O ATOM 483 CB ARG A 29 7.792 -8.187 0.416 1.00 0.00 C ATOM 484 CG ARG A 29 8.156 -8.852 1.747 1.00 0.00 C ATOM 485 CD ARG A 29 9.660 -8.851 2.048 1.00 0.00 C ATOM 486 NE ARG A 29 10.029 -9.787 3.121 1.00 0.00 N ATOM 487 CZ ARG A 29 10.004 -11.125 3.113 1.00 0.00 C ATOM 488 NH1 ARG A 29 9.656 -11.812 2.027 1.00 0.00 N ATOM 489 NH2 ARG A 29 10.325 -11.781 4.218 1.00 0.00 N ATOM 0 H ARG A 29 7.780 -6.340 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 29 7.580 -6.298 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.752 -8.418 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.399 -8.633 -0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.633 -8.339 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.797 -9.881 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.207 -9.111 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.969 -7.844 2.329 1.00 0.00 H new ATOM 0 HE ARG A 29 10.347 -9.358 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.399 -11.319 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.646 -12.832 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.586 -11.266 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.311 -12.801 4.228 1.00 0.00 H new ATOM 503 N ILE A 30 9.683 -4.993 0.840 1.00 0.00 N ATOM 504 CA ILE A 30 11.042 -4.532 1.078 1.00 0.00 C ATOM 505 C ILE A 30 11.587 -5.435 2.175 1.00 0.00 C ATOM 506 O ILE A 30 10.968 -5.577 3.234 1.00 0.00 O ATOM 507 CB ILE A 30 11.089 -3.047 1.494 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.621 -2.103 0.372 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.493 -2.627 1.972 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.068 -0.816 0.991 1.00 0.00 C ATOM 0 H ILE A 30 8.963 -4.336 1.141 1.00 0.00 H new ATOM 0 HA ILE A 30 11.642 -4.589 0.169 1.00 0.00 H new ATOM 0 HB ILE A 30 10.392 -2.954 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.452 -1.872 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.854 -2.589 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.481 -1.574 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.780 -3.231 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.212 -2.778 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.736 -0.145 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.226 -1.057 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.848 -0.329 1.575 1.00 0.00 H new ATOM 522 N ASP A 31 12.741 -6.045 1.928 1.00 0.00 N ATOM 523 CA ASP A 31 13.345 -6.949 2.902 1.00 0.00 C ATOM 524 C ASP A 31 14.786 -6.599 3.223 1.00 0.00 C ATOM 525 O ASP A 31 15.404 -7.324 3.994 1.00 0.00 O ATOM 526 CB ASP A 31 13.212 -8.413 2.465 1.00 0.00 C ATOM 527 CG ASP A 31 13.056 -9.345 3.667 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.267 -9.034 4.588 1.00 0.00 O ATOM 529 OD2 ASP A 31 13.609 -10.466 3.630 1.00 0.00 O ATOM 0 H ASP A 31 13.275 -5.931 1.067 1.00 0.00 H new ATOM 0 HA ASP A 31 12.784 -6.818 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.350 -8.520 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.091 -8.703 1.890 1.00 0.00 H new ATOM 534 N ASP A 32 15.327 -5.522 2.641 1.00 0.00 N ATOM 535 CA ASP A 32 16.665 -5.028 2.983 1.00 0.00 C ATOM 536 C ASP A 32 16.877 -3.624 2.419 1.00 0.00 C ATOM 537 O ASP A 32 17.860 -3.336 1.744 1.00 0.00 O ATOM 538 CB ASP A 32 17.710 -6.016 2.423 1.00 0.00 C ATOM 539 CG ASP A 32 19.022 -6.080 3.199 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.679 -5.041 3.416 1.00 0.00 O ATOM 541 OD2 ASP A 32 19.455 -7.223 3.495 1.00 0.00 O ATOM 0 H ASP A 32 14.853 -4.972 1.925 1.00 0.00 H new ATOM 0 HA ASP A 32 16.773 -4.963 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.270 -7.013 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.929 -5.742 1.391 1.00 0.00 H new ATOM 546 N ASN A 33 15.888 -2.745 2.600 1.00 0.00 N ATOM 547 CA ASN A 33 15.808 -1.439 1.920 1.00 0.00 C ATOM 548 C ASN A 33 15.738 -1.535 0.388 1.00 0.00 C ATOM 549 O ASN A 33 15.752 -0.515 -0.301 1.00 0.00 O ATOM 550 CB ASN A 33 16.932 -0.501 2.400 1.00 0.00 C ATOM 551 CG ASN A 33 16.419 0.672 3.197 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.557 0.424 4.167 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 16.851 1.796 3.007 1.00 0.00 N flip ATOM 0 H ASN A 33 15.106 -2.918 3.232 1.00 0.00 H new ATOM 0 HA ASN A 33 14.853 -1.000 2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.635 -1.068 3.010 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.484 -0.132 1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.516 1.966 2.252 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.548 2.566 3.603 1.00 0.00 H new ATOM 560 N GLU A 34 15.580 -2.747 -0.144 1.00 0.00 N ATOM 561 CA GLU A 34 15.134 -3.001 -1.498 1.00 0.00 C ATOM 562 C GLU A 34 13.979 -3.988 -1.485 1.00 0.00 C ATOM 563 O GLU A 34 13.855 -4.819 -0.573 1.00 0.00 O ATOM 564 CB GLU A 34 16.277 -3.547 -2.370 1.00 0.00 C ATOM 565 CG GLU A 34 17.010 -2.440 -3.136 1.00 0.00 C ATOM 566 CD GLU A 34 16.078 -1.670 -4.078 1.00 0.00 C ATOM 567 OE1 GLU A 34 14.940 -2.120 -4.318 1.00 0.00 O ATOM 568 OE2 GLU A 34 16.452 -0.561 -4.529 1.00 0.00 O ATOM 0 H GLU A 34 15.767 -3.602 0.380 1.00 0.00 H new ATOM 0 HA GLU A 34 14.802 -2.056 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.988 -4.080 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.875 -4.271 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.459 -1.746 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.825 -2.878 -3.713 1.00 0.00 H new ATOM 575 N VAL A 35 13.167 -3.888 -2.534 1.00 0.00 N ATOM 576 CA VAL A 35 12.031 -4.741 -2.836 1.00 0.00 C ATOM 577 C VAL A 35 12.570 -6.104 -3.246 1.00 0.00 C ATOM 578 O VAL A 35 13.172 -6.243 -4.308 1.00 0.00 O ATOM 579 CB VAL A 35 11.121 -4.066 -3.889 1.00 0.00 C ATOM 580 CG1 VAL A 35 11.793 -3.624 -5.199 1.00 0.00 C ATOM 581 CG2 VAL A 35 9.943 -4.980 -4.239 1.00 0.00 C ATOM 0 H VAL A 35 13.297 -3.161 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 35 11.390 -4.891 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 35 10.805 -3.147 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.050 -3.166 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.578 -2.901 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.228 -4.491 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.311 -4.492 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.319 -5.919 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.359 -5.181 -3.341 1.00 0.00 H new ATOM 591 N LYS A 36 12.421 -7.127 -2.401 1.00 0.00 N ATOM 592 CA LYS A 36 12.971 -8.448 -2.730 1.00 0.00 C ATOM 593 C LYS A 36 11.973 -9.295 -3.516 1.00 0.00 C ATOM 594 O LYS A 36 12.397 -10.056 -4.383 1.00 0.00 O ATOM 595 CB LYS A 36 13.548 -9.145 -1.489 1.00 0.00 C ATOM 596 CG LYS A 36 14.645 -8.349 -0.762 1.00 0.00 C ATOM 597 CD LYS A 36 15.670 -7.660 -1.672 1.00 0.00 C ATOM 598 CE LYS A 36 16.821 -7.093 -0.844 1.00 0.00 C ATOM 599 NZ LYS A 36 17.823 -8.110 -0.455 1.00 0.00 N ATOM 0 H LYS A 36 11.937 -7.072 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 36 13.818 -8.307 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.736 -9.343 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.955 -10.111 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.169 -7.591 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.176 -9.024 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.055 -8.373 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.188 -6.859 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.315 -6.306 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.417 -6.629 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.576 -7.660 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.364 -8.849 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.234 -8.537 -1.310 1.00 0.00 H new ATOM 613 N SER A 37 10.671 -9.107 -3.298 1.00 0.00 N ATOM 614 CA SER A 37 9.622 -9.558 -4.205 1.00 0.00 C ATOM 615 C SER A 37 8.497 -8.531 -4.178 1.00 0.00 C ATOM 616 O SER A 37 8.364 -7.749 -3.229 1.00 0.00 O ATOM 617 CB SER A 37 9.039 -10.923 -3.794 1.00 0.00 C ATOM 618 OG SER A 37 9.873 -12.020 -4.099 1.00 0.00 O ATOM 0 H SER A 37 10.313 -8.629 -2.471 1.00 0.00 H new ATOM 0 HA SER A 37 10.058 -9.664 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.844 -10.915 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.079 -11.061 -4.291 1.00 0.00 H new ATOM 0 HG SER A 37 10.791 -11.705 -4.236 1.00 0.00 H new ATOM 624 N THR A 38 7.629 -8.619 -5.175 1.00 0.00 N ATOM 625 CA THR A 38 6.335 -7.974 -5.229 1.00 0.00 C ATOM 626 C THR A 38 5.287 -9.085 -5.305 1.00 0.00 C ATOM 627 O THR A 38 5.526 -10.132 -5.913 1.00 0.00 O ATOM 628 CB THR A 38 6.302 -7.045 -6.454 1.00 0.00 C ATOM 629 OG1 THR A 38 6.760 -7.716 -7.609 1.00 0.00 O ATOM 630 CG2 THR A 38 7.209 -5.828 -6.270 1.00 0.00 C ATOM 0 H THR A 38 7.823 -9.172 -6.010 1.00 0.00 H new ATOM 0 HA THR A 38 6.132 -7.358 -4.353 1.00 0.00 H new ATOM 0 HB THR A 38 5.264 -6.732 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.729 -7.106 -8.376 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.157 -5.198 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.881 -5.258 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.237 -6.159 -6.120 1.00 0.00 H new ATOM 638 N LYS A 39 4.129 -8.887 -4.683 1.00 0.00 N ATOM 639 CA LYS A 39 2.953 -9.734 -4.837 1.00 0.00 C ATOM 640 C LYS A 39 1.860 -8.910 -5.466 1.00 0.00 C ATOM 641 O LYS A 39 1.800 -7.709 -5.250 1.00 0.00 O ATOM 642 CB LYS A 39 2.439 -10.209 -3.471 1.00 0.00 C ATOM 643 CG LYS A 39 2.862 -11.599 -3.023 1.00 0.00 C ATOM 644 CD LYS A 39 4.310 -11.672 -2.520 1.00 0.00 C ATOM 645 CE LYS A 39 5.247 -12.230 -3.595 1.00 0.00 C ATOM 646 NZ LYS A 39 5.175 -13.700 -3.697 1.00 0.00 N ATOM 0 H LYS A 39 3.979 -8.110 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 39 3.220 -10.597 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.769 -9.494 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.350 -10.175 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.194 -11.934 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.741 -12.292 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.645 -10.678 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.357 -12.302 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.993 -11.789 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.271 -11.934 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.827 -14.029 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.443 -14.125 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.204 -13.984 -3.939 1.00 0.00 H new ATOM 660 N VAL A 40 0.933 -9.578 -6.126 1.00 0.00 N ATOM 661 CA VAL A 40 -0.289 -8.999 -6.659 1.00 0.00 C ATOM 662 C VAL A 40 -1.412 -9.716 -5.915 1.00 0.00 C ATOM 663 O VAL A 40 -1.388 -10.942 -5.775 1.00 0.00 O ATOM 664 CB VAL A 40 -0.314 -9.204 -8.186 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.697 -8.966 -8.810 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.700 -8.249 -8.834 1.00 0.00 C ATOM 0 H VAL A 40 1.012 -10.577 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.384 -7.923 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.057 -10.247 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.643 -9.127 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.417 -9.659 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.014 -7.942 -8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.690 -8.387 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.433 -7.219 -8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.698 -8.463 -8.450 1.00 0.00 H new ATOM 676 N ILE A 41 -2.365 -8.947 -5.403 1.00 0.00 N ATOM 677 CA ILE A 41 -3.613 -9.415 -4.829 1.00 0.00 C ATOM 678 C ILE A 41 -4.665 -8.586 -5.549 1.00 0.00 C ATOM 679 O ILE A 41 -4.685 -7.370 -5.355 1.00 0.00 O ATOM 680 CB ILE A 41 -3.641 -9.173 -3.302 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.503 -9.900 -2.559 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.993 -9.624 -2.728 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.569 -9.655 -1.047 1.00 0.00 C ATOM 0 H ILE A 41 -2.281 -7.931 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.770 -10.486 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.498 -8.103 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.563 -10.970 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.541 -9.558 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.007 -9.451 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.796 -9.055 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.137 -10.686 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.751 -10.183 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.483 -8.587 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.520 -10.020 -0.660 1.00 0.00 H new ATOM 695 N PHE A 42 -5.493 -9.179 -6.409 1.00 0.00 N ATOM 696 CA PHE A 42 -6.530 -8.393 -7.075 1.00 0.00 C ATOM 697 C PHE A 42 -7.495 -7.825 -6.036 1.00 0.00 C ATOM 698 O PHE A 42 -7.636 -8.368 -4.940 1.00 0.00 O ATOM 699 CB PHE A 42 -7.239 -9.207 -8.152 1.00 0.00 C ATOM 700 CG PHE A 42 -6.299 -9.582 -9.285 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.033 -8.662 -10.318 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.618 -10.813 -9.264 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.103 -8.973 -11.326 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.695 -11.126 -10.274 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.431 -10.206 -11.302 1.00 0.00 C ATOM 0 H PHE A 42 -5.469 -10.169 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.065 -7.553 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.654 -10.112 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.076 -8.633 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.546 -7.712 -10.336 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.806 -11.519 -8.469 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.906 -8.265 -12.117 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.186 -12.078 -10.261 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.713 -10.446 -12.072 1.00 0.00 H new ATOM 715 N ASN A 43 -8.124 -6.693 -6.348 1.00 0.00 N ATOM 716 CA ASN A 43 -9.095 -6.069 -5.462 1.00 0.00 C ATOM 717 C ASN A 43 -10.369 -6.900 -5.544 1.00 0.00 C ATOM 718 O ASN A 43 -11.201 -6.671 -6.423 1.00 0.00 O ATOM 719 CB ASN A 43 -9.328 -4.592 -5.825 1.00 0.00 C ATOM 720 CG ASN A 43 -10.318 -3.943 -4.856 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.500 -4.411 -3.737 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.963 -2.865 -5.255 1.00 0.00 N ATOM 0 H ASN A 43 -7.973 -6.187 -7.220 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.729 -6.052 -4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.381 -4.053 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.709 -4.519 -6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.626 -2.406 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.799 -2.489 -6.189 1.00 0.00 H new ATOM 729 N ASP A 44 -10.478 -7.926 -4.706 1.00 0.00 N ATOM 730 CA ASP A 44 -11.599 -8.840 -4.614 1.00 0.00 C ATOM 731 C ASP A 44 -11.804 -9.115 -3.127 1.00 0.00 C ATOM 732 O ASP A 44 -10.921 -8.867 -2.303 1.00 0.00 O ATOM 733 CB ASP A 44 -11.252 -10.133 -5.378 1.00 0.00 C ATOM 734 CG ASP A 44 -12.299 -10.516 -6.416 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.602 -9.683 -7.302 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.798 -11.661 -6.361 1.00 0.00 O ATOM 0 H ASP A 44 -9.741 -8.150 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.510 -8.431 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.289 -10.008 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.141 -10.950 -4.665 1.00 0.00 H new ATOM 741 N GLU A 45 -12.948 -9.681 -2.768 1.00 0.00 N ATOM 742 CA GLU A 45 -13.263 -10.033 -1.391 1.00 0.00 C ATOM 743 C GLU A 45 -12.274 -11.054 -0.827 1.00 0.00 C ATOM 744 O GLU A 45 -11.864 -10.959 0.329 1.00 0.00 O ATOM 745 CB GLU A 45 -14.682 -10.582 -1.396 1.00 0.00 C ATOM 746 CG GLU A 45 -15.211 -10.954 -0.014 1.00 0.00 C ATOM 747 CD GLU A 45 -16.729 -10.949 -0.084 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.316 -11.872 -0.691 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.330 -9.955 0.391 1.00 0.00 O ATOM 0 H GLU A 45 -13.689 -9.911 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.186 -9.158 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.346 -9.840 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.717 -11.464 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.845 -11.937 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.860 -10.243 0.734 1.00 0.00 H new ATOM 756 N SER A 46 -11.876 -12.020 -1.654 1.00 0.00 N ATOM 757 CA SER A 46 -10.880 -13.027 -1.318 1.00 0.00 C ATOM 758 C SER A 46 -9.538 -12.324 -1.084 1.00 0.00 C ATOM 759 O SER A 46 -8.874 -12.572 -0.077 1.00 0.00 O ATOM 760 CB SER A 46 -10.843 -14.039 -2.477 1.00 0.00 C ATOM 761 OG SER A 46 -10.226 -15.256 -2.115 1.00 0.00 O ATOM 0 H SER A 46 -12.248 -12.123 -2.598 1.00 0.00 H new ATOM 0 HA SER A 46 -11.117 -13.570 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.860 -14.238 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.308 -13.601 -3.320 1.00 0.00 H new ATOM 0 HG SER A 46 -10.229 -15.865 -2.883 1.00 0.00 H new ATOM 767 N GLY A 47 -9.192 -11.394 -1.974 1.00 0.00 N ATOM 768 CA GLY A 47 -8.003 -10.577 -1.906 1.00 0.00 C ATOM 769 C GLY A 47 -7.899 -9.826 -0.583 1.00 0.00 C ATOM 770 O GLY A 47 -6.956 -10.035 0.179 1.00 0.00 O ATOM 0 H GLY A 47 -9.764 -11.189 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.123 -11.207 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.007 -9.862 -2.729 1.00 0.00 H new ATOM 774 N LYS A 48 -8.874 -8.965 -0.278 1.00 0.00 N ATOM 775 CA LYS A 48 -8.836 -8.113 0.908 1.00 0.00 C ATOM 776 C LYS A 48 -8.833 -8.965 2.162 1.00 0.00 C ATOM 777 O LYS A 48 -8.125 -8.635 3.112 1.00 0.00 O ATOM 778 CB LYS A 48 -10.014 -7.137 0.903 1.00 0.00 C ATOM 779 CG LYS A 48 -9.730 -5.920 0.007 1.00 0.00 C ATOM 780 CD LYS A 48 -10.981 -5.059 -0.148 1.00 0.00 C ATOM 781 CE LYS A 48 -11.318 -4.300 1.145 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.619 -4.699 1.714 1.00 0.00 N ATOM 0 H LYS A 48 -9.711 -8.841 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.917 -7.526 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.910 -7.648 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.216 -6.802 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.925 -5.325 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.390 -6.255 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.833 -4.346 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.824 -5.691 -0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.534 -4.478 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.328 -3.229 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.798 -4.158 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.373 -4.506 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.604 -5.715 1.935 1.00 0.00 H new ATOM 796 N LYS A 49 -9.561 -10.086 2.159 1.00 0.00 N ATOM 797 CA LYS A 49 -9.481 -11.053 3.247 1.00 0.00 C ATOM 798 C LYS A 49 -8.039 -11.495 3.504 1.00 0.00 C ATOM 799 O LYS A 49 -7.653 -11.558 4.675 1.00 0.00 O ATOM 800 CB LYS A 49 -10.385 -12.261 2.964 1.00 0.00 C ATOM 801 CG LYS A 49 -11.808 -12.055 3.502 1.00 0.00 C ATOM 802 CD LYS A 49 -12.614 -13.357 3.416 1.00 0.00 C ATOM 803 CE LYS A 49 -13.344 -13.526 2.083 1.00 0.00 C ATOM 804 NZ LYS A 49 -13.921 -14.882 1.945 1.00 0.00 N ATOM 0 H LYS A 49 -10.210 -10.342 1.415 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.836 -10.563 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.426 -12.439 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.952 -13.152 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.765 -11.716 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.309 -11.273 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.943 -14.203 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.342 -13.381 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.138 -12.783 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.651 -13.340 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.408 -14.960 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.160 -15.590 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.600 -15.050 2.714 1.00 0.00 H new ATOM 818 N SER A 50 -7.270 -11.799 2.458 1.00 0.00 N ATOM 819 CA SER A 50 -5.869 -12.176 2.568 1.00 0.00 C ATOM 820 C SER A 50 -4.945 -11.014 2.965 1.00 0.00 C ATOM 821 O SER A 50 -3.894 -11.286 3.546 1.00 0.00 O ATOM 822 CB SER A 50 -5.417 -12.813 1.250 1.00 0.00 C ATOM 823 OG SER A 50 -5.909 -14.136 1.161 1.00 0.00 O ATOM 0 H SER A 50 -7.613 -11.789 1.497 1.00 0.00 H new ATOM 0 HA SER A 50 -5.789 -12.896 3.382 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.780 -12.223 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.329 -12.816 1.192 1.00 0.00 H new ATOM 0 HG SER A 50 -5.618 -14.537 0.315 1.00 0.00 H new ATOM 829 N ILE A 51 -5.288 -9.739 2.739 1.00 0.00 N ATOM 830 CA ILE A 51 -4.455 -8.603 3.172 1.00 0.00 C ATOM 831 C ILE A 51 -4.269 -8.649 4.696 1.00 0.00 C ATOM 832 O ILE A 51 -3.145 -8.566 5.193 1.00 0.00 O ATOM 833 CB ILE A 51 -5.043 -7.255 2.685 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.036 -7.195 1.143 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.248 -6.054 3.218 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.568 -5.881 0.565 1.00 0.00 C ATOM 0 H ILE A 51 -6.143 -9.464 2.255 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.470 -8.686 2.713 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.062 -7.199 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.017 -7.349 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.635 -8.019 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.695 -5.130 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.268 -6.059 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.216 -6.119 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.529 -5.920 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.599 -5.733 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.955 -5.053 0.920 1.00 0.00 H new ATOM 848 N VAL A 52 -5.357 -8.871 5.434 1.00 0.00 N ATOM 849 CA VAL A 52 -5.382 -9.072 6.885 1.00 0.00 C ATOM 850 C VAL A 52 -4.461 -10.221 7.327 1.00 0.00 C ATOM 851 O VAL A 52 -4.111 -10.299 8.508 1.00 0.00 O ATOM 852 CB VAL A 52 -6.841 -9.314 7.348 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.035 -9.157 8.866 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.813 -8.336 6.682 1.00 0.00 C ATOM 0 H VAL A 52 -6.287 -8.918 5.019 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.999 -8.169 7.361 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.048 -10.344 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.079 -9.340 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.403 -9.874 9.390 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.761 -8.145 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.826 -8.536 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.535 -7.314 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.770 -8.461 5.600 1.00 0.00 H new ATOM 864 N LYS A 53 -4.055 -11.116 6.416 1.00 0.00 N ATOM 865 CA LYS A 53 -3.147 -12.207 6.711 1.00 0.00 C ATOM 866 C LYS A 53 -1.751 -11.990 6.113 1.00 0.00 C ATOM 867 O LYS A 53 -0.828 -12.662 6.560 1.00 0.00 O ATOM 868 CB LYS A 53 -3.759 -13.554 6.279 1.00 0.00 C ATOM 869 CG LYS A 53 -4.804 -14.113 7.265 1.00 0.00 C ATOM 870 CD LYS A 53 -6.233 -13.592 7.042 1.00 0.00 C ATOM 871 CE LYS A 53 -7.239 -14.198 8.034 1.00 0.00 C ATOM 872 NZ LYS A 53 -7.638 -15.584 7.708 1.00 0.00 N ATOM 0 H LYS A 53 -4.359 -11.093 5.443 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.007 -12.232 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.226 -13.433 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.958 -14.284 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.811 -15.200 7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.495 -13.866 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.240 -12.506 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.546 -13.823 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.805 -14.180 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.130 -13.571 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.316 -15.926 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.081 -15.606 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.797 -16.196 7.709 1.00 0.00 H new ATOM 886 N GLU A 54 -1.545 -11.058 5.173 1.00 0.00 N ATOM 887 CA GLU A 54 -0.217 -10.756 4.621 1.00 0.00 C ATOM 888 C GLU A 54 0.716 -10.220 5.702 1.00 0.00 C ATOM 889 O GLU A 54 1.927 -10.391 5.596 1.00 0.00 O ATOM 890 CB GLU A 54 -0.299 -9.695 3.506 1.00 0.00 C ATOM 891 CG GLU A 54 -0.415 -10.275 2.093 1.00 0.00 C ATOM 892 CD GLU A 54 0.831 -11.045 1.616 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.952 -10.819 2.129 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.674 -11.884 0.697 1.00 0.00 O ATOM 0 H GLU A 54 -2.294 -10.492 4.774 1.00 0.00 H new ATOM 0 HA GLU A 54 0.170 -11.691 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.159 -9.052 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.588 -9.063 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.276 -10.943 2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.614 -9.462 1.395 1.00 0.00 H new ATOM 901 N ASN A 55 0.165 -9.579 6.736 1.00 0.00 N ATOM 902 CA ASN A 55 0.887 -8.742 7.690 1.00 0.00 C ATOM 903 C ASN A 55 1.486 -7.538 6.969 1.00 0.00 C ATOM 904 O ASN A 55 2.687 -7.286 7.057 1.00 0.00 O ATOM 905 CB ASN A 55 1.947 -9.510 8.511 1.00 0.00 C ATOM 906 CG ASN A 55 1.371 -10.657 9.311 1.00 0.00 C ATOM 907 OD1 ASN A 55 1.011 -10.487 10.472 1.00 0.00 O ATOM 908 ND2 ASN A 55 1.246 -11.833 8.721 1.00 0.00 N ATOM 0 H ASN A 55 -0.834 -9.633 6.937 1.00 0.00 H new ATOM 0 HA ASN A 55 0.163 -8.394 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.710 -9.895 7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.443 -8.816 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.844 -12.620 9.231 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.551 -11.954 7.755 1.00 0.00 H new ATOM 915 N VAL A 56 0.656 -6.781 6.242 1.00 0.00 N ATOM 916 CA VAL A 56 1.096 -5.498 5.708 1.00 0.00 C ATOM 917 C VAL A 56 1.433 -4.578 6.886 1.00 0.00 C ATOM 918 O VAL A 56 0.847 -4.691 7.972 1.00 0.00 O ATOM 919 CB VAL A 56 0.051 -4.870 4.765 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.717 -3.918 3.774 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.697 -5.876 3.882 1.00 0.00 C ATOM 0 H VAL A 56 -0.306 -7.033 6.016 1.00 0.00 H new ATOM 0 HA VAL A 56 1.985 -5.647 5.096 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.645 -4.381 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.040 -3.487 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.222 -3.121 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.445 -4.466 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.411 -5.346 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.016 -6.409 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.228 -6.589 4.512 1.00 0.00 H new ATOM 931 N ASN A 57 2.398 -3.696 6.653 1.00 0.00 N ATOM 932 CA ASN A 57 2.870 -2.672 7.569 1.00 0.00 C ATOM 933 C ASN A 57 2.199 -1.342 7.263 1.00 0.00 C ATOM 934 O ASN A 57 1.862 -0.602 8.185 1.00 0.00 O ATOM 935 CB ASN A 57 4.394 -2.539 7.429 1.00 0.00 C ATOM 936 CG ASN A 57 5.047 -2.700 8.785 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.026 -3.783 9.363 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.603 -1.629 9.306 1.00 0.00 N ATOM 0 H ASN A 57 2.900 -3.678 5.765 1.00 0.00 H new ATOM 0 HA ASN A 57 2.620 -2.956 8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.773 -3.294 6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.647 -1.567 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.040 -1.678 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.597 -0.749 8.790 1.00 0.00 H new ATOM 945 N ALA A 58 1.998 -1.037 5.976 1.00 0.00 N ATOM 946 CA ALA A 58 1.479 0.248 5.537 1.00 0.00 C ATOM 947 C ALA A 58 0.705 0.111 4.219 1.00 0.00 C ATOM 948 O ALA A 58 0.877 -0.864 3.490 1.00 0.00 O ATOM 949 CB ALA A 58 2.649 1.227 5.406 1.00 0.00 C ATOM 0 H ALA A 58 2.194 -1.683 5.212 1.00 0.00 H new ATOM 0 HA ALA A 58 0.772 0.631 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.277 2.197 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.142 1.336 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.362 0.846 4.676 1.00 0.00 H new ATOM 955 N ILE A 59 -0.136 1.083 3.888 1.00 0.00 N ATOM 956 CA ILE A 59 -0.910 1.170 2.652 1.00 0.00 C ATOM 957 C ILE A 59 -0.488 2.466 1.941 1.00 0.00 C ATOM 958 O ILE A 59 -0.277 3.476 2.617 1.00 0.00 O ATOM 959 CB ILE A 59 -2.405 1.160 3.041 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.761 -0.249 3.556 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.339 1.545 1.882 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.104 -0.339 4.283 1.00 0.00 C ATOM 0 H ILE A 59 -0.307 1.876 4.507 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.735 0.337 1.971 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.554 1.915 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.773 -0.938 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.974 -0.585 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.374 1.518 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.097 2.551 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.210 0.840 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.273 -1.365 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.093 0.321 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.904 -0.038 3.607 1.00 0.00 H new ATOM 974 N ILE A 60 -0.385 2.464 0.607 1.00 0.00 N ATOM 975 CA ILE A 60 -0.051 3.635 -0.206 1.00 0.00 C ATOM 976 C ILE A 60 -0.996 3.673 -1.400 1.00 0.00 C ATOM 977 O ILE A 60 -0.871 2.886 -2.339 1.00 0.00 O ATOM 978 CB ILE A 60 1.421 3.626 -0.668 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.350 3.419 0.542 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.746 4.945 -1.404 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.827 3.392 0.182 1.00 0.00 C ATOM 0 H ILE A 60 -0.536 1.623 0.049 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.172 4.532 0.401 1.00 0.00 H new ATOM 0 HB ILE A 60 1.581 2.800 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.176 4.217 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.088 2.482 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.787 4.934 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.096 5.046 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.585 5.787 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.419 3.243 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.017 2.576 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.106 4.338 -0.282 1.00 0.00 H new ATOM 993 N CYS A 61 -1.950 4.592 -1.374 1.00 0.00 N ATOM 994 CA CYS A 61 -2.919 4.783 -2.434 1.00 0.00 C ATOM 995 C CYS A 61 -3.188 6.286 -2.576 1.00 0.00 C ATOM 996 O CYS A 61 -2.713 7.088 -1.765 1.00 0.00 O ATOM 997 CB CYS A 61 -4.201 3.987 -2.109 1.00 0.00 C ATOM 998 SG CYS A 61 -3.923 2.335 -1.398 1.00 0.00 S ATOM 0 H CYS A 61 -2.071 5.239 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.541 4.410 -3.386 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.805 4.569 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.785 3.879 -3.023 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.958 1.583 -1.629 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.950 6.684 -3.599 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.402 8.063 -3.732 1.00 0.00 C ATOM 1006 C LYS A 62 -5.467 8.352 -2.681 1.00 0.00 C ATOM 1007 O LYS A 62 -5.237 9.132 -1.770 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.949 8.336 -5.137 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.875 8.527 -6.215 1.00 0.00 C ATOM 1010 CD LYS A 62 -4.527 9.213 -7.424 1.00 0.00 C ATOM 1011 CE LYS A 62 -3.671 9.095 -8.680 1.00 0.00 C ATOM 1012 NZ LYS A 62 -4.423 9.488 -9.889 1.00 0.00 N ATOM 0 H LYS A 62 -4.265 6.065 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.550 8.724 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.594 7.507 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.573 9.229 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.054 9.133 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.453 7.565 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.505 8.768 -7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.694 10.266 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.787 9.725 -8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.320 8.069 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.088 8.932 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.437 9.309 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.274 10.500 -10.077 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.670 7.793 -2.806 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.796 8.095 -1.904 1.00 0.00 C ATOM 1028 C ASN A 63 -8.212 6.803 -1.223 1.00 0.00 C ATOM 1029 O ASN A 63 -7.767 5.720 -1.618 1.00 0.00 O ATOM 1030 CB ASN A 63 -9.000 8.735 -2.642 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.783 10.116 -3.245 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -7.560 10.589 -3.234 1.00 0.00 O flip ATOM 1033 ND2 ASN A 63 -9.702 10.726 -3.788 1.00 0.00 N flip ATOM 0 H ASN A 63 -6.898 7.116 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.468 8.832 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.306 8.060 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.833 8.798 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.645 10.337 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.521 11.621 -4.243 1.00 0.00 H new ATOM 1040 N ILE A 64 -9.080 6.887 -0.223 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.515 5.729 0.531 1.00 0.00 C ATOM 1042 C ILE A 64 -10.920 5.975 1.072 1.00 0.00 C ATOM 1043 O ILE A 64 -11.224 7.058 1.554 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.468 5.405 1.614 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.959 4.176 2.392 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.130 6.594 2.537 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.857 3.510 3.194 1.00 0.00 C ATOM 0 H ILE A 64 -9.500 7.764 0.085 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.584 4.844 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.519 5.186 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.762 4.475 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.381 3.454 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.386 6.285 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.732 7.415 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.033 6.923 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.262 2.648 3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.064 3.183 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.452 4.220 3.915 1.00 0.00 H new ATOM 1059 N SER A 65 -11.765 4.952 0.991 1.00 0.00 N ATOM 1060 CA SER A 65 -13.111 4.964 1.525 1.00 0.00 C ATOM 1061 C SER A 65 -13.078 4.991 3.054 1.00 0.00 C ATOM 1062 O SER A 65 -12.292 4.258 3.651 1.00 0.00 O ATOM 1063 CB SER A 65 -13.803 3.690 1.043 1.00 0.00 C ATOM 1064 OG SER A 65 -13.554 3.494 -0.339 1.00 0.00 O ATOM 0 H SER A 65 -11.520 4.071 0.539 1.00 0.00 H new ATOM 0 HA SER A 65 -13.647 5.851 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.441 2.833 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.876 3.760 1.221 1.00 0.00 H new ATOM 0 HG SER A 65 -14.380 3.642 -0.844 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.985 5.742 3.677 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.173 5.892 5.118 1.00 0.00 C ATOM 1072 C GLU A 66 -14.130 4.533 5.830 1.00 0.00 C ATOM 1073 O GLU A 66 -13.363 4.349 6.780 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.510 6.636 5.321 1.00 0.00 C ATOM 1075 CG GLU A 66 -16.008 6.787 6.767 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.631 8.101 7.457 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -14.433 8.406 7.640 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -16.556 8.773 7.977 1.00 0.00 O ATOM 0 H GLU A 66 -14.655 6.301 3.150 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.363 6.470 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.413 7.632 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.278 6.115 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.094 6.692 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.614 5.960 7.357 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.934 3.571 5.366 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.102 2.287 6.040 1.00 0.00 C ATOM 1087 C GLU A 67 -13.804 1.476 6.005 1.00 0.00 C ATOM 1088 O GLU A 67 -13.458 0.799 6.976 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.244 1.496 5.375 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.154 0.759 6.377 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.176 -0.758 6.160 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -17.597 -1.243 5.091 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.739 -1.515 7.058 1.00 0.00 O ATOM 0 H GLU A 67 -15.485 3.664 4.513 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.354 2.474 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.851 2.181 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.816 0.769 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.815 0.971 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.169 1.148 6.292 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.090 1.519 4.878 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.811 0.841 4.707 1.00 0.00 C ATOM 1102 C ASN A 68 -10.759 1.532 5.558 1.00 0.00 C ATOM 1103 O ASN A 68 -10.047 0.842 6.288 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.367 0.861 3.233 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.751 -0.386 2.451 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.592 -1.512 2.926 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.234 -0.203 1.232 1.00 0.00 N ATOM 0 H ASN A 68 -13.391 2.033 4.050 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.926 -0.197 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.805 1.732 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.285 0.983 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.486 -1.007 0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.354 0.742 0.867 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.681 2.870 5.500 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.735 3.653 6.281 1.00 0.00 C ATOM 1116 C TYR A 69 -9.844 3.235 7.735 1.00 0.00 C ATOM 1117 O TYR A 69 -8.895 2.656 8.253 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.925 5.168 6.116 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.887 5.955 6.899 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -7.618 6.204 6.343 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -9.172 6.412 8.199 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -6.636 6.897 7.074 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -8.189 7.087 8.943 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.905 7.319 8.395 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.948 7.992 9.094 1.00 0.00 O ATOM 0 H TYR A 69 -11.282 3.436 4.901 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.732 3.448 5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.859 5.430 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.923 5.448 6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.396 5.859 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.149 6.244 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.676 7.106 6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.415 7.431 9.941 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.404 8.524 8.476 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.008 3.444 8.357 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.209 3.195 9.782 1.00 0.00 C ATOM 1137 C LYS A 70 -10.887 1.748 10.134 1.00 0.00 C ATOM 1138 O LYS A 70 -10.398 1.474 11.232 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.659 3.515 10.176 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.944 5.020 10.147 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.420 5.312 10.439 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.602 6.826 10.367 1.00 0.00 C ATOM 1143 NZ LYS A 70 -16.009 7.256 10.442 1.00 0.00 N ATOM 0 H LYS A 70 -11.840 3.793 7.881 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.532 3.844 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.340 3.004 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.857 3.128 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.318 5.525 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.677 5.424 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.062 4.812 9.714 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.699 4.937 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.045 7.289 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.168 7.192 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.131 8.141 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.619 6.519 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.272 7.412 11.436 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.196 0.797 9.241 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.903 -0.600 9.494 1.00 0.00 C ATOM 1159 C LYS A 71 -9.398 -0.820 9.594 1.00 0.00 C ATOM 1160 O LYS A 71 -8.921 -1.320 10.617 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.576 -1.471 8.436 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.389 -2.967 8.738 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.549 -3.761 8.135 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.812 -3.595 9.001 1.00 0.00 C ATOM 1165 NZ LYS A 71 -15.062 -3.612 8.213 1.00 0.00 N ATOM 0 H LYS A 71 -11.647 0.980 8.344 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.317 -0.899 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.640 -1.237 8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.160 -1.242 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.443 -3.316 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.346 -3.128 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.747 -3.416 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.281 -4.815 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.845 -4.394 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.748 -2.655 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.817 -4.061 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.338 -2.637 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.912 -4.150 7.336 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.663 -0.500 8.533 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.248 -0.842 8.447 1.00 0.00 C ATOM 1181 C PHE A 72 -6.390 0.084 9.321 1.00 0.00 C ATOM 1182 O PHE A 72 -5.356 -0.353 9.831 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.796 -0.811 6.981 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.194 -2.020 6.141 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.363 -3.154 6.089 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.361 -2.000 5.356 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -6.701 -4.259 5.289 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -8.676 -3.082 4.516 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.856 -4.222 4.490 1.00 0.00 C ATOM 0 H PHE A 72 -9.026 -0.003 7.719 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.110 -1.852 8.832 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.205 0.084 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.710 -0.716 6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.454 -3.176 6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.021 -1.146 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.072 -5.137 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.553 -3.037 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.111 -5.062 3.862 1.00 0.00 H new ATOM 1199 N SER A 73 -6.812 1.331 9.552 1.00 0.00 N ATOM 1200 CA SER A 73 -6.034 2.358 10.239 1.00 0.00 C ATOM 1201 C SER A 73 -5.769 2.041 11.711 1.00 0.00 C ATOM 1202 O SER A 73 -5.027 2.790 12.352 1.00 0.00 O ATOM 1203 CB SER A 73 -6.729 3.724 10.108 1.00 0.00 C ATOM 1204 OG SER A 73 -7.950 3.764 10.820 1.00 0.00 O ATOM 0 H SER A 73 -7.731 1.660 9.256 1.00 0.00 H new ATOM 0 HA SER A 73 -5.060 2.385 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.066 4.506 10.479 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.915 3.937 9.055 1.00 0.00 H new ATOM 0 HG SER A 73 -8.361 4.647 10.714 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.347 0.956 12.258 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.157 0.545 13.644 1.00 0.00 C ATOM 1212 C LYS A 74 -4.674 0.583 13.987 1.00 0.00 C ATOM 1213 O LYS A 74 -4.322 1.246 14.964 1.00 0.00 O ATOM 1214 CB LYS A 74 -6.806 -0.821 13.930 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.011 -1.032 15.441 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.350 -2.488 15.802 1.00 0.00 C ATOM 1217 CE LYS A 74 -6.089 -3.252 16.224 1.00 0.00 C ATOM 1218 NZ LYS A 74 -6.374 -4.657 16.572 1.00 0.00 N ATOM 0 H LYS A 74 -6.966 0.337 11.735 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.669 1.250 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.766 -0.886 13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.177 -1.617 13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.106 -0.733 15.970 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.813 -0.381 15.788 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.080 -2.506 16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.811 -2.982 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.361 -3.222 15.414 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.634 -2.753 17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.491 -5.132 16.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.049 -4.689 17.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.783 -5.143 15.748 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.815 -0.052 13.178 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.356 0.070 13.288 1.00 0.00 C ATOM 1234 C LYS A 75 -1.620 0.144 11.951 1.00 0.00 C ATOM 1235 O LYS A 75 -0.442 0.500 11.956 1.00 0.00 O ATOM 1236 CB LYS A 75 -1.807 -1.109 14.105 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.896 -0.867 15.622 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.625 -1.998 16.346 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.834 -3.308 16.297 1.00 0.00 C ATOM 1240 NZ LYS A 75 -0.603 -3.226 17.103 1.00 0.00 N ATOM 0 H LYS A 75 -4.116 -0.669 12.424 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.172 1.023 13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.362 -2.012 13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.767 -1.285 13.829 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.891 -0.765 16.031 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.413 0.074 15.808 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.795 -1.715 17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.605 -2.148 15.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.457 -4.124 16.664 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.579 -3.542 15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.198 -4.177 17.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.086 -2.611 16.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.826 -2.831 18.039 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.235 -0.216 10.822 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.560 -0.095 9.531 1.00 0.00 C ATOM 1256 C ILE A 76 -1.519 1.400 9.209 1.00 0.00 C ATOM 1257 O ILE A 76 -2.567 2.049 9.183 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.272 -0.940 8.451 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.139 -2.446 8.774 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.676 -0.682 7.060 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.096 -3.334 7.970 1.00 0.00 C ATOM 0 H ILE A 76 -3.184 -0.588 10.776 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.544 -0.489 9.561 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.322 -0.649 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.114 -2.762 8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.323 -2.598 9.838 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.198 -1.291 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.788 0.372 6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.618 -0.944 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.946 -4.377 8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.125 -3.046 8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.898 -3.212 6.905 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.324 1.942 8.971 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.160 3.334 8.567 1.00 0.00 C ATOM 1275 C GLU A 77 -0.593 3.473 7.102 1.00 0.00 C ATOM 1276 O GLU A 77 -0.473 2.540 6.311 1.00 0.00 O ATOM 1277 CB GLU A 77 1.288 3.803 8.801 1.00 0.00 C ATOM 1278 CG GLU A 77 1.624 3.796 10.304 1.00 0.00 C ATOM 1279 CD GLU A 77 3.036 4.291 10.652 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.200 5.501 10.932 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.963 3.449 10.769 1.00 0.00 O ATOM 0 H GLU A 77 0.553 1.428 9.053 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.791 3.981 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.978 3.151 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.420 4.807 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.897 4.418 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.507 2.781 10.683 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.143 4.624 6.727 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.805 4.833 5.441 1.00 0.00 C ATOM 1290 C ILE A 78 -1.240 6.130 4.895 1.00 0.00 C ATOM 1291 O ILE A 78 -1.368 7.156 5.560 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.342 4.892 5.624 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -3.871 3.599 6.285 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.059 5.118 4.274 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.262 3.757 6.887 1.00 0.00 C ATOM 0 H ILE A 78 -1.142 5.454 7.319 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.623 4.014 4.745 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.558 5.737 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.892 2.802 5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.177 3.288 7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.136 5.155 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.725 6.060 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.822 4.299 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.574 2.813 7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.241 4.533 7.653 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.967 4.038 6.105 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.593 6.084 3.734 1.00 0.00 N ATOM 1308 CA TYR A 79 0.177 7.182 3.167 1.00 0.00 C ATOM 1309 C TYR A 79 -0.386 7.586 1.815 1.00 0.00 C ATOM 1310 O TYR A 79 -1.017 6.776 1.128 1.00 0.00 O ATOM 1311 CB TYR A 79 1.639 6.759 3.032 1.00 0.00 C ATOM 1312 CG TYR A 79 2.370 6.579 4.346 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.325 5.357 5.046 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.135 7.644 4.852 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.098 5.194 6.205 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.888 7.496 6.027 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.880 6.260 6.703 1.00 0.00 C ATOM 1318 OH TYR A 79 4.610 6.104 7.837 1.00 0.00 O ATOM 0 H TYR A 79 -0.592 5.252 3.144 1.00 0.00 H new ATOM 0 HA TYR A 79 0.112 8.044 3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.682 5.822 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.166 7.506 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.699 4.551 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.143 8.589 4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.095 4.245 6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.469 8.322 6.410 1.00 0.00 H new ATOM 0 HH TYR A 79 5.088 6.936 8.035 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.159 8.841 1.437 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.647 9.396 0.189 1.00 0.00 C ATOM 1330 C HIS A 80 0.389 9.179 -0.909 1.00 0.00 C ATOM 1331 O HIS A 80 1.556 9.530 -0.724 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.927 10.889 0.383 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.616 11.504 -0.806 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.265 12.665 -1.460 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.696 10.972 -1.453 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.152 12.836 -2.458 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.020 11.814 -2.516 1.00 0.00 N ATOM 0 H HIS A 80 0.375 9.504 1.998 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.570 8.897 -0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.546 11.027 1.270 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.012 11.411 0.565 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.209 10.059 -1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.164 13.685 -3.125 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.766 11.680 -3.199 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.037 8.619 -2.041 1.00 0.00 N ATOM 1346 CA ALA A 81 0.817 8.404 -3.200 1.00 0.00 C ATOM 1347 C ALA A 81 1.279 9.739 -3.799 1.00 0.00 C ATOM 1348 O ALA A 81 0.451 10.566 -4.196 1.00 0.00 O ATOM 1349 CB ALA A 81 0.056 7.581 -4.244 1.00 0.00 C ATOM 0 H ALA A 81 -0.996 8.300 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 81 1.707 7.858 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.693 7.418 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.225 6.619 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.842 8.119 -4.548 1.00 0.00 H new ATOM 1355 N GLU A 82 2.588 9.942 -3.919 1.00 0.00 N ATOM 1356 CA GLU A 82 3.239 11.092 -4.509 1.00 0.00 C ATOM 1357 C GLU A 82 3.844 10.665 -5.839 1.00 0.00 C ATOM 1358 O GLU A 82 4.876 9.999 -5.885 1.00 0.00 O ATOM 1359 CB GLU A 82 4.303 11.624 -3.543 1.00 0.00 C ATOM 1360 CG GLU A 82 3.732 12.206 -2.242 1.00 0.00 C ATOM 1361 CD GLU A 82 2.727 13.350 -2.416 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.587 13.901 -3.535 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.023 13.686 -1.432 1.00 0.00 O ATOM 0 H GLU A 82 3.262 9.255 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 82 2.528 11.898 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.991 10.816 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.885 12.394 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.249 11.402 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.560 12.563 -1.630 1.00 0.00 H new ATOM 1370 N GLY A 83 3.154 10.985 -6.931 1.00 0.00 N ATOM 1371 CA GLY A 83 3.470 10.478 -8.253 1.00 0.00 C ATOM 1372 C GLY A 83 2.527 9.336 -8.615 1.00 0.00 C ATOM 1373 O GLY A 83 1.948 8.688 -7.742 1.00 0.00 O ATOM 0 H GLY A 83 2.350 11.612 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.384 11.278 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.503 10.130 -8.280 1.00 0.00 H new ATOM 1377 N ASP A 84 2.394 9.098 -9.914 1.00 0.00 N ATOM 1378 CA ASP A 84 1.823 7.899 -10.542 1.00 0.00 C ATOM 1379 C ASP A 84 2.748 6.705 -10.421 1.00 0.00 C ATOM 1380 O ASP A 84 2.321 5.548 -10.415 1.00 0.00 O ATOM 1381 CB ASP A 84 1.573 8.204 -12.031 1.00 0.00 C ATOM 1382 CG ASP A 84 2.737 7.853 -12.962 1.00 0.00 C ATOM 1383 OD1 ASP A 84 3.765 8.578 -12.963 1.00 0.00 O ATOM 1384 OD2 ASP A 84 2.576 6.887 -13.729 1.00 0.00 O ATOM 0 H ASP A 84 2.701 9.779 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 84 0.893 7.648 -10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.688 7.657 -12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.348 9.265 -12.137 1.00 0.00 H new ATOM 1389 N ASP A 85 4.025 7.041 -10.345 1.00 0.00 N ATOM 1390 CA ASP A 85 5.135 6.149 -10.477 1.00 0.00 C ATOM 1391 C ASP A 85 5.250 5.386 -9.172 1.00 0.00 C ATOM 1392 O ASP A 85 5.671 5.925 -8.147 1.00 0.00 O ATOM 1393 CB ASP A 85 6.372 6.986 -10.777 1.00 0.00 C ATOM 1394 CG ASP A 85 7.447 6.177 -11.467 1.00 0.00 C ATOM 1395 OD1 ASP A 85 8.105 5.355 -10.800 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.648 6.377 -12.681 1.00 0.00 O ATOM 0 H ASP A 85 4.318 8.004 -10.179 1.00 0.00 H new ATOM 0 HA ASP A 85 5.015 5.431 -11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.094 7.832 -11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.767 7.396 -9.848 1.00 0.00 H new ATOM 1401 N VAL A 86 4.812 4.137 -9.182 1.00 0.00 N ATOM 1402 CA VAL A 86 5.017 3.200 -8.087 1.00 0.00 C ATOM 1403 C VAL A 86 6.464 3.298 -7.610 1.00 0.00 C ATOM 1404 O VAL A 86 6.697 3.368 -6.408 1.00 0.00 O ATOM 1405 CB VAL A 86 4.647 1.771 -8.532 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.082 0.705 -7.515 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.138 1.667 -8.769 1.00 0.00 C ATOM 0 H VAL A 86 4.295 3.738 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 86 4.366 3.452 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 86 5.186 1.579 -9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.797 -0.282 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.164 0.746 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.595 0.894 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.888 0.654 -9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.608 1.902 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.842 2.371 -9.547 1.00 0.00 H new ATOM 1417 N ASP A 87 7.422 3.345 -8.530 1.00 0.00 N ATOM 1418 CA ASP A 87 8.823 3.218 -8.186 1.00 0.00 C ATOM 1419 C ASP A 87 9.338 4.505 -7.547 1.00 0.00 C ATOM 1420 O ASP A 87 10.156 4.443 -6.631 1.00 0.00 O ATOM 1421 CB ASP A 87 9.655 2.823 -9.407 1.00 0.00 C ATOM 1422 CG ASP A 87 9.200 1.481 -9.987 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.192 1.479 -10.731 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.814 0.420 -9.718 1.00 0.00 O ATOM 0 H ASP A 87 7.245 3.471 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 87 8.925 2.418 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.573 3.597 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.707 2.762 -9.127 1.00 0.00 H new ATOM 1429 N LYS A 88 8.845 5.678 -7.976 1.00 0.00 N ATOM 1430 CA LYS A 88 8.990 6.930 -7.203 1.00 0.00 C ATOM 1431 C LYS A 88 8.530 6.688 -5.772 1.00 0.00 C ATOM 1432 O LYS A 88 9.244 6.976 -4.817 1.00 0.00 O ATOM 1433 CB LYS A 88 8.188 8.084 -7.845 1.00 0.00 C ATOM 1434 CG LYS A 88 8.145 9.441 -7.121 1.00 0.00 C ATOM 1435 CD LYS A 88 9.540 9.981 -6.797 1.00 0.00 C ATOM 1436 CE LYS A 88 9.660 11.510 -6.914 1.00 0.00 C ATOM 1437 NZ LYS A 88 8.856 12.282 -5.936 1.00 0.00 N ATOM 0 H LYS A 88 8.341 5.789 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 88 10.039 7.225 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.593 8.254 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.160 7.743 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.615 10.163 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.576 9.338 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.808 9.682 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.263 9.517 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.708 11.786 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.362 11.806 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.824 13.281 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.889 11.900 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.290 12.208 -4.994 1.00 0.00 H new ATOM 1451 N ASN A 89 7.316 6.167 -5.617 1.00 0.00 N ATOM 1452 CA ASN A 89 6.664 6.066 -4.323 1.00 0.00 C ATOM 1453 C ASN A 89 7.363 5.083 -3.399 1.00 0.00 C ATOM 1454 O ASN A 89 7.222 5.207 -2.184 1.00 0.00 O ATOM 1455 CB ASN A 89 5.209 5.624 -4.517 1.00 0.00 C ATOM 1456 CG ASN A 89 4.349 6.823 -4.838 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.770 7.412 -3.940 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.282 7.234 -6.086 1.00 0.00 N ATOM 0 H ASN A 89 6.759 5.803 -6.390 1.00 0.00 H new ATOM 0 HA ASN A 89 6.710 7.051 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.146 4.893 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.844 5.135 -3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.737 8.063 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.776 6.724 -6.818 1.00 0.00 H new ATOM 1465 N ILE A 90 8.019 4.048 -3.928 1.00 0.00 N ATOM 1466 CA ILE A 90 8.676 3.037 -3.108 1.00 0.00 C ATOM 1467 C ILE A 90 9.885 3.690 -2.423 1.00 0.00 C ATOM 1468 O ILE A 90 10.032 3.530 -1.209 1.00 0.00 O ATOM 1469 CB ILE A 90 8.986 1.774 -3.956 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.687 1.013 -4.338 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.910 0.806 -3.190 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.874 -0.085 -5.393 1.00 0.00 C ATOM 0 H ILE A 90 8.108 3.891 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 90 8.030 2.670 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 90 9.483 2.120 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.266 0.565 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.956 1.732 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.111 -0.070 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.849 1.308 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.424 0.495 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.915 -0.561 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.263 0.355 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.578 -0.830 -5.022 1.00 0.00 H new ATOM 1484 N SER A 91 10.706 4.454 -3.152 1.00 0.00 N ATOM 1485 CA SER A 91 11.898 5.054 -2.568 1.00 0.00 C ATOM 1486 C SER A 91 11.533 6.113 -1.523 1.00 0.00 C ATOM 1487 O SER A 91 12.162 6.175 -0.465 1.00 0.00 O ATOM 1488 CB SER A 91 12.835 5.564 -3.673 1.00 0.00 C ATOM 1489 OG SER A 91 12.502 6.854 -4.155 1.00 0.00 O ATOM 0 H SER A 91 10.564 4.667 -4.139 1.00 0.00 H new ATOM 0 HA SER A 91 12.454 4.292 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.856 5.581 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.818 4.860 -4.505 1.00 0.00 H new ATOM 0 HG SER A 91 11.546 6.887 -4.367 1.00 0.00 H new ATOM 1495 N LEU A 92 10.488 6.911 -1.789 1.00 0.00 N ATOM 1496 CA LEU A 92 10.019 7.929 -0.859 1.00 0.00 C ATOM 1497 C LEU A 92 9.599 7.252 0.444 1.00 0.00 C ATOM 1498 O LEU A 92 9.968 7.690 1.534 1.00 0.00 O ATOM 1499 CB LEU A 92 8.836 8.707 -1.461 1.00 0.00 C ATOM 1500 CG LEU A 92 9.143 9.600 -2.682 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.811 10.155 -3.206 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.082 10.762 -2.349 1.00 0.00 C ATOM 0 H LEU A 92 9.951 6.863 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 92 10.823 8.638 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.068 7.989 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.408 9.335 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 92 9.651 8.992 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.997 10.791 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.162 9.329 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.327 10.739 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.261 11.354 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.626 11.391 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.029 10.370 -1.978 1.00 0.00 H new ATOM 1514 N PHE A 93 8.835 6.165 0.341 1.00 0.00 N ATOM 1515 CA PHE A 93 8.346 5.436 1.497 1.00 0.00 C ATOM 1516 C PHE A 93 9.482 4.850 2.350 1.00 0.00 C ATOM 1517 O PHE A 93 9.390 4.868 3.582 1.00 0.00 O ATOM 1518 CB PHE A 93 7.398 4.344 1.013 1.00 0.00 C ATOM 1519 CG PHE A 93 6.971 3.422 2.125 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.034 3.840 3.091 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.572 2.158 2.220 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.651 2.961 4.118 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.192 1.289 3.245 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.218 1.676 4.181 1.00 0.00 C ATOM 0 H PHE A 93 8.540 5.769 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 93 7.816 6.130 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.516 4.803 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.886 3.763 0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.612 4.833 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.324 1.859 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.925 3.271 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.650 0.313 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.905 0.985 4.950 1.00 0.00 H new ATOM 1534 N ILE A 94 10.529 4.312 1.713 1.00 0.00 N ATOM 1535 CA ILE A 94 11.729 3.798 2.373 1.00 0.00 C ATOM 1536 C ILE A 94 12.340 4.896 3.248 1.00 0.00 C ATOM 1537 O ILE A 94 12.623 4.635 4.418 1.00 0.00 O ATOM 1538 CB ILE A 94 12.712 3.218 1.322 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.174 1.857 0.837 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.134 3.019 1.877 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.730 1.403 -0.515 1.00 0.00 C ATOM 0 H ILE A 94 10.563 4.221 0.698 1.00 0.00 H new ATOM 0 HA ILE A 94 11.476 2.971 3.036 1.00 0.00 H new ATOM 0 HB ILE A 94 12.778 3.938 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.408 1.100 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.088 1.913 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.776 2.611 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.532 3.978 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.103 2.327 2.719 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.299 0.437 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.473 2.137 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.814 1.311 -0.450 1.00 0.00 H new ATOM 1553 N GLU A 95 12.535 6.098 2.700 1.00 0.00 N ATOM 1554 CA GLU A 95 13.101 7.234 3.425 1.00 0.00 C ATOM 1555 C GLU A 95 12.125 7.839 4.433 1.00 0.00 C ATOM 1556 O GLU A 95 12.567 8.587 5.309 1.00 0.00 O ATOM 1557 CB GLU A 95 13.566 8.298 2.415 1.00 0.00 C ATOM 1558 CG GLU A 95 15.040 8.079 2.037 1.00 0.00 C ATOM 1559 CD GLU A 95 16.026 9.015 2.754 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.929 9.284 3.978 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.967 9.506 2.090 1.00 0.00 O ATOM 0 H GLU A 95 12.301 6.310 1.730 1.00 0.00 H new ATOM 0 HA GLU A 95 13.950 6.870 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.945 8.253 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.439 9.293 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.310 7.047 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.150 8.211 0.961 1.00 0.00 H new ATOM 1568 N GLY A 96 10.831 7.520 4.355 1.00 0.00 N ATOM 1569 CA GLY A 96 9.811 8.091 5.220 1.00 0.00 C ATOM 1570 C GLY A 96 9.309 9.445 4.711 1.00 0.00 C ATOM 1571 O GLY A 96 8.783 10.227 5.504 1.00 0.00 O ATOM 0 H GLY A 96 10.464 6.850 3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.972 7.399 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.215 8.210 6.225 1.00 0.00 H new ATOM 1575 N GLU A 97 9.532 9.763 3.432 1.00 0.00 N ATOM 1576 CA GLU A 97 9.163 11.023 2.794 1.00 0.00 C ATOM 1577 C GLU A 97 7.648 11.149 2.574 1.00 0.00 C ATOM 1578 O GLU A 97 7.154 12.276 2.514 1.00 0.00 O ATOM 1579 CB GLU A 97 9.888 11.141 1.436 1.00 0.00 C ATOM 1580 CG GLU A 97 11.195 11.936 1.473 1.00 0.00 C ATOM 1581 CD GLU A 97 10.956 13.447 1.533 1.00 0.00 C ATOM 1582 OE1 GLU A 97 10.565 14.053 0.505 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.228 14.045 2.596 1.00 0.00 O ATOM 0 H GLU A 97 9.994 9.120 2.789 1.00 0.00 H new ATOM 0 HA GLU A 97 9.465 11.829 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.100 10.138 1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.214 11.610 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.780 11.628 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.787 11.699 0.589 1.00 0.00 H new ATOM 1590 N LEU A 98 6.901 10.050 2.414 1.00 0.00 N ATOM 1591 CA LEU A 98 5.459 10.143 2.161 1.00 0.00 C ATOM 1592 C LEU A 98 4.740 10.553 3.450 1.00 0.00 C ATOM 1593 O LEU A 98 5.204 10.232 4.546 1.00 0.00 O ATOM 1594 CB LEU A 98 4.884 8.817 1.638 1.00 0.00 C ATOM 1595 CG LEU A 98 5.471 8.289 0.315 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.739 6.993 -0.035 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.262 9.269 -0.839 1.00 0.00 C ATOM 0 H LEU A 98 7.265 9.098 2.454 1.00 0.00 H new ATOM 0 HA LEU A 98 5.299 10.897 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.030 8.056 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.808 8.938 1.510 1.00 0.00 H new ATOM 0 HG LEU A 98 6.543 8.142 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.133 6.593 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.887 6.265 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.674 7.196 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.692 8.854 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.195 9.437 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.750 10.215 -0.606 1.00 0.00 H new ATOM 1609 N SER A 99 3.566 11.180 3.332 1.00 0.00 N ATOM 1610 CA SER A 99 2.809 11.712 4.457 1.00 0.00 C ATOM 1611 C SER A 99 1.499 10.940 4.598 1.00 0.00 C ATOM 1612 O SER A 99 0.942 10.435 3.614 1.00 0.00 O ATOM 1613 CB SER A 99 2.576 13.211 4.235 1.00 0.00 C ATOM 1614 OG SER A 99 2.623 13.916 5.459 1.00 0.00 O ATOM 0 H SER A 99 3.111 11.332 2.432 1.00 0.00 H new ATOM 0 HA SER A 99 3.362 11.591 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.332 13.604 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.608 13.366 3.759 1.00 0.00 H new ATOM 0 HG SER A 99 2.474 14.870 5.293 1.00 0.00 H new ATOM 1620 N LYS A 100 1.002 10.824 5.832 1.00 0.00 N ATOM 1621 CA LYS A 100 -0.105 9.927 6.146 1.00 0.00 C ATOM 1622 C LYS A 100 -1.448 10.567 5.834 1.00 0.00 C ATOM 1623 O LYS A 100 -1.674 11.721 6.195 1.00 0.00 O ATOM 1624 CB LYS A 100 -0.036 9.460 7.601 1.00 0.00 C ATOM 1625 CG LYS A 100 1.104 8.439 7.770 1.00 0.00 C ATOM 1626 CD LYS A 100 1.338 8.047 9.227 1.00 0.00 C ATOM 1627 CE LYS A 100 0.174 7.248 9.824 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.274 7.183 11.294 1.00 0.00 N ATOM 0 H LYS A 100 1.355 11.346 6.634 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.009 9.049 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.128 10.314 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.985 9.010 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.873 7.545 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.023 8.857 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.251 7.456 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.495 8.948 9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.772 7.710 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.172 6.239 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.526 6.637 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.166 6.721 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.252 8.146 11.686 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.351 9.807 5.215 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.723 10.229 4.970 1.00 0.00 C ATOM 1644 C ILE A 101 -4.404 10.382 6.333 1.00 0.00 C ATOM 1645 O ILE A 101 -4.554 9.421 7.092 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.461 9.257 4.023 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.751 9.227 2.649 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.939 9.662 3.884 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.490 8.426 1.569 1.00 0.00 C ATOM 0 H ILE A 101 -2.144 8.871 4.867 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.746 11.186 4.450 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.434 8.252 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.621 10.251 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.754 8.805 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.445 8.967 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.417 9.635 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.003 10.671 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.922 8.458 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.597 7.391 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.477 8.859 1.406 1.00 0.00 H new