USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 642 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 13 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 1.07 K(o=3.2,f=-4.8!) USER MOD Set 1.3: A 86 THR OG1 : rot -60:sc= 2.16 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.194 X(o=0.39,f=0.0046) USER MOD Set 2.2: A 36 CYS SG : rot 174:sc= 0.199 USER MOD Set 3.1: A 14 THR OG1 : rot 161:sc= 0.263 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -158:sc= 0.634 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 90:sc= -1 USER MOD Single : A 39 MET CE :methyl 132:sc= -0.242 (180deg=-0.899) USER MOD Single : A 59 ASN : amide:sc= -0.962 K(o=-0.96,f=-6.8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -157:sc= -2.57! USER MOD Single : A 68 HIS : no HD1:sc=-0.00514 X(o=-0.0051,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -0.0594 (180deg=-0.309) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.863 K(o=-0.86,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl -165:sc= -2.25 (180deg=-3.26!) USER MOD Single : A 87 MET CE :methyl -148:sc= -0.0852 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.596 -7.140 3.485 1.00 0.00 N ATOM 55 CA ASN A 11 13.444 -7.058 2.615 1.00 0.00 C ATOM 56 C ASN A 11 12.282 -6.850 3.508 1.00 0.00 C ATOM 57 O ASN A 11 11.768 -7.794 4.099 1.00 0.00 O ATOM 58 CB ASN A 11 13.215 -8.335 1.779 1.00 0.00 C ATOM 59 CG ASN A 11 14.417 -8.775 0.983 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.653 -8.307 -0.139 1.00 0.00 O ATOM 61 ND2 ASN A 11 15.150 -9.719 1.519 1.00 0.00 N ATOM 0 HA ASN A 11 13.592 -6.252 1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.919 -9.144 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.383 -8.164 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.949 -10.096 1.009 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.922 -10.077 2.446 1.00 0.00 H new ATOM 68 N VAL A 12 11.904 -5.643 3.671 1.00 0.00 N ATOM 69 CA VAL A 12 10.914 -5.318 4.575 1.00 0.00 C ATOM 70 C VAL A 12 9.781 -4.705 3.845 1.00 0.00 C ATOM 71 O VAL A 12 9.949 -3.923 2.904 1.00 0.00 O ATOM 72 CB VAL A 12 11.424 -4.361 5.699 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.284 -3.902 6.584 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.461 -5.044 6.568 1.00 0.00 C ATOM 0 H VAL A 12 12.291 -4.848 3.162 1.00 0.00 H new ATOM 0 HA VAL A 12 10.591 -6.233 5.071 1.00 0.00 H new ATOM 0 HB VAL A 12 11.871 -3.500 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.669 -3.237 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.547 -3.370 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.814 -4.768 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.798 -4.355 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.021 -5.926 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.310 -5.344 5.954 1.00 0.00 H new ATOM 84 N THR A 13 8.677 -5.108 4.224 1.00 0.00 N ATOM 85 CA THR A 13 7.475 -4.617 3.794 1.00 0.00 C ATOM 86 C THR A 13 6.789 -4.065 5.022 1.00 0.00 C ATOM 87 O THR A 13 6.378 -4.809 5.935 1.00 0.00 O ATOM 88 CB THR A 13 6.701 -5.753 3.148 1.00 0.00 C ATOM 89 OG1 THR A 13 7.311 -6.118 1.890 1.00 0.00 O ATOM 90 CG2 THR A 13 5.231 -5.447 2.986 1.00 0.00 C ATOM 0 H THR A 13 8.577 -5.860 4.906 1.00 0.00 H new ATOM 0 HA THR A 13 7.565 -3.828 3.047 1.00 0.00 H new ATOM 0 HB THR A 13 6.752 -6.607 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.722 -6.736 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.732 -6.296 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.789 -5.259 3.964 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.110 -4.565 2.358 1.00 0.00 H new ATOM 98 N THR A 14 6.769 -2.791 5.096 1.00 0.00 N ATOM 99 CA THR A 14 6.222 -2.127 6.211 1.00 0.00 C ATOM 100 C THR A 14 4.721 -2.016 6.040 1.00 0.00 C ATOM 101 O THR A 14 4.220 -1.717 4.950 1.00 0.00 O ATOM 102 CB THR A 14 6.870 -0.755 6.378 1.00 0.00 C ATOM 103 OG1 THR A 14 8.311 -0.920 6.431 1.00 0.00 O ATOM 104 CG2 THR A 14 6.396 -0.071 7.657 1.00 0.00 C ATOM 0 H THR A 14 7.137 -2.172 4.374 1.00 0.00 H new ATOM 0 HA THR A 14 6.425 -2.698 7.117 1.00 0.00 H new ATOM 0 HB THR A 14 6.585 -0.131 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.746 -0.064 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.875 0.904 7.747 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.314 0.058 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.659 -0.686 8.518 1.00 0.00 H new ATOM 112 N VAL A 15 4.027 -2.273 7.090 1.00 0.00 N ATOM 113 CA VAL A 15 2.618 -2.314 7.092 1.00 0.00 C ATOM 114 C VAL A 15 2.097 -1.282 8.025 1.00 0.00 C ATOM 115 O VAL A 15 2.699 -1.026 9.079 1.00 0.00 O ATOM 116 CB VAL A 15 2.135 -3.709 7.531 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.641 -3.737 7.752 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.502 -4.726 6.485 1.00 0.00 C ATOM 0 H VAL A 15 4.444 -2.467 8.001 1.00 0.00 H new ATOM 0 HA VAL A 15 2.248 -2.113 6.086 1.00 0.00 H new ATOM 0 HB VAL A 15 2.624 -3.948 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.338 -4.737 8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.375 -3.021 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.131 -3.473 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.159 -5.712 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.029 -4.462 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.584 -4.743 6.358 1.00 0.00 H new ATOM 128 N LEU A 16 1.028 -0.663 7.645 1.00 0.00 N ATOM 129 CA LEU A 16 0.392 0.243 8.496 1.00 0.00 C ATOM 130 C LEU A 16 -1.046 -0.144 8.651 1.00 0.00 C ATOM 131 O LEU A 16 -1.813 -0.140 7.689 1.00 0.00 O ATOM 132 CB LEU A 16 0.458 1.651 7.990 1.00 0.00 C ATOM 133 CG LEU A 16 -0.132 2.650 8.953 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.805 2.926 10.095 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.525 3.887 8.265 1.00 0.00 C ATOM 0 H LEU A 16 0.584 -0.782 6.734 1.00 0.00 H new ATOM 0 HA LEU A 16 0.914 0.206 9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.498 1.913 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.071 1.715 7.039 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.037 2.210 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.351 3.650 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.004 2.000 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.741 3.329 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.947 4.587 8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.350 4.335 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.270 3.659 7.503 1.00 0.00 H new ATOM 147 N ILE A 17 -1.401 -0.473 9.828 1.00 0.00 N ATOM 148 CA ILE A 17 -2.751 -0.774 10.150 1.00 0.00 C ATOM 149 C ILE A 17 -3.363 0.424 10.778 1.00 0.00 C ATOM 150 O ILE A 17 -2.751 1.044 11.630 1.00 0.00 O ATOM 151 CB ILE A 17 -2.855 -2.018 11.110 1.00 0.00 C ATOM 152 CG1 ILE A 17 -3.064 -3.281 10.313 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.999 -1.880 12.121 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.414 -3.286 9.649 1.00 0.00 C ATOM 0 H ILE A 17 -0.757 -0.545 10.615 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.286 -1.033 9.237 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.915 -2.067 11.659 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.284 -3.371 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.975 -4.147 10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.029 -2.763 12.760 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.837 -0.994 12.734 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.945 -1.785 11.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.537 -4.208 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.193 -3.221 10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.491 -2.433 8.975 1.00 0.00 H new ATOM 166 N ARG A 18 -4.497 0.822 10.295 1.00 0.00 N ATOM 167 CA ARG A 18 -5.229 1.814 10.977 1.00 0.00 C ATOM 168 C ARG A 18 -6.483 1.216 11.503 1.00 0.00 C ATOM 169 O ARG A 18 -7.459 0.988 10.795 1.00 0.00 O ATOM 170 CB ARG A 18 -5.457 3.051 10.150 1.00 0.00 C ATOM 171 CG ARG A 18 -4.165 3.785 9.882 1.00 0.00 C ATOM 172 CD ARG A 18 -4.390 5.097 9.198 1.00 0.00 C ATOM 173 NE ARG A 18 -5.152 6.045 10.024 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.910 7.042 9.546 1.00 0.00 C ATOM 175 NH1 ARG A 18 -6.081 7.186 8.231 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.525 7.869 10.390 1.00 0.00 N ATOM 0 H ARG A 18 -4.925 0.473 9.437 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.637 2.168 11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.923 2.776 9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.152 3.713 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.643 3.953 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.517 3.162 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.427 5.538 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.922 4.927 8.262 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.100 5.936 11.037 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.634 6.536 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.659 7.946 7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.418 7.743 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.102 8.629 10.030 1.00 0.00 H new ATOM 190 N ARG A 19 -6.412 0.951 12.745 1.00 0.00 N ATOM 191 CA ARG A 19 -7.441 0.309 13.496 1.00 0.00 C ATOM 192 C ARG A 19 -8.168 1.319 14.375 1.00 0.00 C ATOM 193 O ARG A 19 -7.582 1.842 15.296 1.00 0.00 O ATOM 194 CB ARG A 19 -6.779 -0.762 14.350 1.00 0.00 C ATOM 195 CG ARG A 19 -7.684 -1.476 15.315 1.00 0.00 C ATOM 196 CD ARG A 19 -6.915 -2.559 16.025 1.00 0.00 C ATOM 197 NE ARG A 19 -7.738 -3.329 16.956 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.253 -4.335 17.695 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.961 -4.459 17.836 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.060 -5.158 18.352 1.00 0.00 N ATOM 0 H ARG A 19 -5.594 1.184 13.308 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.180 -0.136 12.830 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.328 -1.501 13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.968 -0.302 14.914 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.089 -0.769 16.039 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.531 -1.908 14.782 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.484 -3.234 15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.084 -2.110 16.569 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.725 -3.089 17.047 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.333 -3.794 17.386 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.580 -5.221 18.397 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.071 -5.031 18.300 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.670 -5.918 18.909 1.00 0.00 H new ATOM 214 N PRO A 20 -9.435 1.625 14.082 1.00 0.00 N ATOM 215 CA PRO A 20 -10.233 2.571 14.890 1.00 0.00 C ATOM 216 C PRO A 20 -10.314 2.175 16.378 1.00 0.00 C ATOM 217 O PRO A 20 -10.060 2.995 17.264 1.00 0.00 O ATOM 218 CB PRO A 20 -11.621 2.490 14.243 1.00 0.00 C ATOM 219 CG PRO A 20 -11.343 2.097 12.837 1.00 0.00 C ATOM 220 CD PRO A 20 -10.187 1.142 12.908 1.00 0.00 C ATOM 0 HA PRO A 20 -9.794 3.569 14.894 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.252 1.757 14.745 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.141 3.447 14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.214 1.626 12.382 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.097 2.967 12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.520 0.112 13.037 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.583 1.170 12.001 1.00 0.00 H new ATOM 228 N ASP A 21 -10.621 0.912 16.638 1.00 0.00 N ATOM 229 CA ASP A 21 -10.788 0.411 18.001 1.00 0.00 C ATOM 230 C ASP A 21 -10.558 -1.094 18.054 1.00 0.00 C ATOM 231 O ASP A 21 -10.314 -1.741 17.017 1.00 0.00 O ATOM 232 CB ASP A 21 -12.170 0.775 18.597 1.00 0.00 C ATOM 233 CG ASP A 21 -13.348 0.162 17.875 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.641 -1.034 18.091 1.00 0.00 O ATOM 235 OD2 ASP A 21 -14.035 0.875 17.129 1.00 0.00 O ATOM 0 H ASP A 21 -10.762 0.206 15.916 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.035 0.903 18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.196 0.459 19.640 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.280 1.859 18.589 1.00 0.00 H new ATOM 240 N LEU A 22 -10.653 -1.660 19.242 1.00 0.00 N ATOM 241 CA LEU A 22 -10.330 -3.060 19.493 1.00 0.00 C ATOM 242 C LEU A 22 -11.220 -4.068 18.809 1.00 0.00 C ATOM 243 O LEU A 22 -10.794 -5.198 18.562 1.00 0.00 O ATOM 244 CB LEU A 22 -10.214 -3.338 20.976 1.00 0.00 C ATOM 245 CG LEU A 22 -9.057 -2.624 21.653 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.932 -3.053 23.082 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.782 -2.890 20.888 1.00 0.00 C ATOM 0 H LEU A 22 -10.961 -1.157 20.074 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.357 -3.203 19.023 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.143 -3.044 21.464 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.102 -4.412 21.126 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.248 -1.551 21.650 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.097 -2.529 23.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.852 -2.815 23.615 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.755 -4.128 23.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.952 -2.377 21.374 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.586 -3.962 20.870 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.887 -2.523 19.867 1.00 0.00 H new ATOM 259 N ARG A 23 -12.394 -3.676 18.445 1.00 0.00 N ATOM 260 CA ARG A 23 -13.318 -4.598 17.788 1.00 0.00 C ATOM 261 C ARG A 23 -12.978 -4.772 16.317 1.00 0.00 C ATOM 262 O ARG A 23 -13.508 -5.652 15.641 1.00 0.00 O ATOM 263 CB ARG A 23 -14.803 -4.228 17.997 1.00 0.00 C ATOM 264 CG ARG A 23 -15.247 -4.197 19.461 1.00 0.00 C ATOM 265 CD ARG A 23 -14.828 -5.471 20.174 1.00 0.00 C ATOM 266 NE ARG A 23 -15.163 -5.512 21.609 1.00 0.00 N ATOM 267 CZ ARG A 23 -14.382 -5.000 22.582 1.00 0.00 C ATOM 268 NH1 ARG A 23 -13.607 -3.946 22.342 1.00 0.00 N ATOM 269 NH2 ARG A 23 -14.462 -5.469 23.815 1.00 0.00 N ATOM 0 H ARG A 23 -12.755 -2.732 18.581 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.183 -5.563 18.277 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.987 -3.249 17.554 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.423 -4.944 17.457 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.809 -3.333 19.961 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.330 -4.082 19.516 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.301 -6.320 19.680 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.751 -5.596 20.062 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.040 -5.955 21.883 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.600 -3.518 21.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.020 -3.565 23.084 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.116 -6.221 24.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.870 -5.079 24.548 1.00 0.00 H new ATOM 283 N TYR A 24 -12.096 -3.933 15.816 1.00 0.00 N ATOM 284 CA TYR A 24 -11.722 -3.999 14.404 1.00 0.00 C ATOM 285 C TYR A 24 -10.658 -5.031 14.114 1.00 0.00 C ATOM 286 O TYR A 24 -10.540 -5.489 12.969 1.00 0.00 O ATOM 287 CB TYR A 24 -11.324 -2.630 13.857 1.00 0.00 C ATOM 288 CG TYR A 24 -12.494 -1.773 13.464 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.358 -1.246 14.412 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.744 -1.506 12.126 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.436 -0.477 14.031 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.818 -0.742 11.742 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.660 -0.227 12.694 1.00 0.00 C ATOM 294 OH TYR A 24 -15.744 0.523 12.308 1.00 0.00 O ATOM 0 H TYR A 24 -11.625 -3.203 16.351 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.619 -4.326 13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.737 -2.104 14.610 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.679 -2.769 12.989 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.184 -1.440 15.460 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.082 -1.906 11.373 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.103 -0.072 14.777 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.999 -0.547 10.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.754 0.605 11.331 1.00 0.00 H new ATOM 304 N GLN A 25 -9.917 -5.426 15.151 1.00 0.00 N ATOM 305 CA GLN A 25 -8.805 -6.371 15.013 1.00 0.00 C ATOM 306 C GLN A 25 -7.775 -5.879 14.023 1.00 0.00 C ATOM 307 O GLN A 25 -7.697 -4.693 13.742 1.00 0.00 O ATOM 308 CB GLN A 25 -9.303 -7.773 14.651 1.00 0.00 C ATOM 309 CG GLN A 25 -9.920 -8.486 15.814 1.00 0.00 C ATOM 310 CD GLN A 25 -8.902 -8.749 16.908 1.00 0.00 C ATOM 311 OE1 GLN A 25 -8.719 -7.939 17.809 1.00 0.00 O ATOM 312 NE2 GLN A 25 -8.218 -9.856 16.820 1.00 0.00 N ATOM 0 H GLN A 25 -10.069 -5.102 16.106 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.315 -6.438 15.984 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.035 -7.698 13.847 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.470 -8.363 14.269 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.740 -7.890 16.214 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.347 -9.431 15.478 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.398 -10.507 16.056 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.503 -10.071 17.515 1.00 0.00 H new ATOM 321 N LEU A 26 -6.928 -6.757 13.597 1.00 0.00 N ATOM 322 CA LEU A 26 -5.949 -6.425 12.610 1.00 0.00 C ATOM 323 C LEU A 26 -6.487 -6.873 11.272 1.00 0.00 C ATOM 324 O LEU A 26 -6.515 -6.125 10.320 1.00 0.00 O ATOM 325 CB LEU A 26 -4.597 -7.109 12.914 1.00 0.00 C ATOM 326 CG LEU A 26 -4.048 -7.035 14.369 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.181 -5.645 14.966 1.00 0.00 C ATOM 328 CD2 LEU A 26 -4.675 -8.101 15.274 1.00 0.00 C ATOM 0 H LEU A 26 -6.893 -7.723 13.921 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.765 -5.351 12.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.688 -8.161 12.645 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.847 -6.675 12.252 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.981 -7.251 14.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.784 -5.646 15.981 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.622 -4.933 14.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.232 -5.357 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.263 -8.013 16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.755 -7.958 15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.453 -9.092 14.877 1.00 0.00 H new ATOM 340 N GLY A 27 -6.941 -8.106 11.228 1.00 0.00 N ATOM 341 CA GLY A 27 -7.500 -8.650 10.027 1.00 0.00 C ATOM 342 C GLY A 27 -6.660 -9.770 9.467 1.00 0.00 C ATOM 343 O GLY A 27 -6.858 -10.189 8.336 1.00 0.00 O ATOM 0 H GLY A 27 -6.930 -8.749 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.506 -9.018 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.594 -7.860 9.281 1.00 0.00 H new ATOM 347 N PHE A 28 -5.717 -10.250 10.245 1.00 0.00 N ATOM 348 CA PHE A 28 -4.872 -11.342 9.817 1.00 0.00 C ATOM 349 C PHE A 28 -4.579 -12.236 11.002 1.00 0.00 C ATOM 350 O PHE A 28 -4.786 -11.830 12.157 1.00 0.00 O ATOM 351 CB PHE A 28 -3.547 -10.841 9.174 1.00 0.00 C ATOM 352 CG PHE A 28 -2.581 -10.159 10.129 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.666 -8.804 10.381 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.587 -10.890 10.771 1.00 0.00 C ATOM 355 CE1 PHE A 28 -1.786 -8.187 11.247 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.709 -10.280 11.638 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.811 -8.924 11.876 1.00 0.00 C ATOM 0 H PHE A 28 -5.515 -9.900 11.182 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.404 -11.903 9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.041 -11.690 8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.792 -10.145 8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.432 -8.219 9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.503 -11.951 10.587 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.863 -7.126 11.430 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.057 -10.860 12.130 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.125 -8.442 12.557 1.00 0.00 H new ATOM 367 N SER A 29 -4.108 -13.408 10.723 1.00 0.00 N ATOM 368 CA SER A 29 -3.752 -14.366 11.733 1.00 0.00 C ATOM 369 C SER A 29 -2.259 -14.675 11.630 1.00 0.00 C ATOM 370 O SER A 29 -1.737 -14.911 10.517 1.00 0.00 O ATOM 371 CB SER A 29 -4.580 -15.615 11.525 1.00 0.00 C ATOM 372 OG SER A 29 -5.974 -15.315 11.618 1.00 0.00 O ATOM 0 H SER A 29 -3.955 -13.738 9.770 1.00 0.00 H new ATOM 0 HA SER A 29 -3.952 -13.970 12.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.359 -16.046 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.313 -16.363 12.271 1.00 0.00 H new ATOM 0 HG SER A 29 -6.495 -16.134 11.479 1.00 0.00 H new ATOM 378 N VAL A 30 -1.567 -14.679 12.759 1.00 0.00 N ATOM 379 CA VAL A 30 -0.144 -14.860 12.743 1.00 0.00 C ATOM 380 C VAL A 30 0.259 -16.138 13.520 1.00 0.00 C ATOM 381 O VAL A 30 -0.205 -16.392 14.641 1.00 0.00 O ATOM 382 CB VAL A 30 0.589 -13.574 13.306 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.885 -13.613 14.792 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.816 -13.224 12.517 1.00 0.00 C ATOM 0 H VAL A 30 -1.974 -14.559 13.686 1.00 0.00 H new ATOM 0 HA VAL A 30 0.176 -14.995 11.710 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.140 -12.774 13.175 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.387 -12.692 15.087 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.048 -13.711 15.346 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.529 -14.464 15.012 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.282 -12.335 12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.520 -14.055 12.552 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.539 -13.027 11.481 1.00 0.00 H new ATOM 394 N GLN A 31 1.088 -16.937 12.909 1.00 0.00 N ATOM 395 CA GLN A 31 1.621 -18.133 13.520 1.00 0.00 C ATOM 396 C GLN A 31 3.107 -18.034 13.558 1.00 0.00 C ATOM 397 O GLN A 31 3.724 -17.734 12.548 1.00 0.00 O ATOM 398 CB GLN A 31 1.224 -19.383 12.772 1.00 0.00 C ATOM 399 CG GLN A 31 -0.186 -19.846 13.009 1.00 0.00 C ATOM 400 CD GLN A 31 -0.454 -21.139 12.300 1.00 0.00 C ATOM 401 OE1 GLN A 31 -0.937 -21.160 11.172 1.00 0.00 O ATOM 402 NE2 GLN A 31 -0.051 -22.214 12.905 1.00 0.00 N ATOM 0 H GLN A 31 1.421 -16.778 11.958 1.00 0.00 H new ATOM 0 HA GLN A 31 1.209 -18.208 14.526 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.358 -19.207 11.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.906 -20.187 13.051 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.356 -19.972 14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.885 -19.085 12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.345 -22.153 13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.130 -23.120 12.442 1.00 0.00 H new ATOM 411 N ASN A 32 3.680 -18.259 14.724 1.00 0.00 N ATOM 412 CA ASN A 32 5.139 -18.137 14.976 1.00 0.00 C ATOM 413 C ASN A 32 5.669 -16.708 14.752 1.00 0.00 C ATOM 414 O ASN A 32 6.854 -16.463 14.906 1.00 0.00 O ATOM 415 CB ASN A 32 5.975 -19.132 14.118 1.00 0.00 C ATOM 416 CG ASN A 32 5.672 -20.589 14.372 1.00 0.00 C ATOM 417 OD1 ASN A 32 6.202 -21.191 15.304 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.911 -21.190 13.497 1.00 0.00 N ATOM 0 H ASN A 32 3.152 -18.538 15.551 1.00 0.00 H new ATOM 0 HA ASN A 32 5.262 -18.388 16.029 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.801 -18.917 13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.034 -18.956 14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.739 -22.193 13.574 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.488 -20.657 12.737 1.00 0.00 H new ATOM 425 N GLY A 33 4.778 -15.765 14.430 1.00 0.00 N ATOM 426 CA GLY A 33 5.209 -14.425 14.079 1.00 0.00 C ATOM 427 C GLY A 33 5.118 -14.227 12.576 1.00 0.00 C ATOM 428 O GLY A 33 5.453 -13.173 12.043 1.00 0.00 O ATOM 0 H GLY A 33 3.769 -15.910 14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.588 -13.689 14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.234 -14.264 14.414 1.00 0.00 H new ATOM 432 N ILE A 34 4.621 -15.249 11.901 1.00 0.00 N ATOM 433 CA ILE A 34 4.476 -15.245 10.461 1.00 0.00 C ATOM 434 C ILE A 34 2.994 -15.280 10.102 1.00 0.00 C ATOM 435 O ILE A 34 2.245 -16.135 10.586 1.00 0.00 O ATOM 436 CB ILE A 34 5.208 -16.447 9.734 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.734 -16.472 9.982 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.958 -16.386 8.235 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.178 -16.945 11.347 1.00 0.00 C ATOM 0 H ILE A 34 4.305 -16.112 12.344 1.00 0.00 H new ATOM 0 HA ILE A 34 4.953 -14.330 10.110 1.00 0.00 H new ATOM 0 HB ILE A 34 4.788 -17.358 10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.193 -17.114 9.230 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.124 -15.466 9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.467 -17.218 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.887 -16.452 8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.341 -15.445 7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.266 -16.920 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.759 -16.292 12.112 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.830 -17.965 11.510 1.00 0.00 H new ATOM 451 N ILE A 35 2.582 -14.325 9.320 1.00 0.00 N ATOM 452 CA ILE A 35 1.217 -14.203 8.844 1.00 0.00 C ATOM 453 C ILE A 35 0.840 -15.424 8.012 1.00 0.00 C ATOM 454 O ILE A 35 1.459 -15.692 6.972 1.00 0.00 O ATOM 455 CB ILE A 35 1.099 -12.939 7.992 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.496 -11.738 8.853 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.335 -12.789 7.453 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.876 -10.529 8.072 1.00 0.00 C ATOM 0 H ILE A 35 3.196 -13.584 8.981 1.00 0.00 H new ATOM 0 HA ILE A 35 0.539 -14.139 9.695 1.00 0.00 H new ATOM 0 HB ILE A 35 1.764 -13.001 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.664 -11.486 9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.332 -12.023 9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.404 -11.885 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.586 -13.655 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.032 -12.721 8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.144 -9.723 8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.728 -10.761 7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.035 -10.216 7.454 1.00 0.00 H new ATOM 470 N CYS A 36 -0.150 -16.157 8.471 1.00 0.00 N ATOM 471 CA CYS A 36 -0.551 -17.375 7.810 1.00 0.00 C ATOM 472 C CYS A 36 -1.807 -17.165 6.979 1.00 0.00 C ATOM 473 O CYS A 36 -1.965 -17.765 5.910 1.00 0.00 O ATOM 474 CB CYS A 36 -0.771 -18.489 8.831 1.00 0.00 C ATOM 475 SG CYS A 36 -1.142 -20.097 8.097 1.00 0.00 S ATOM 0 H CYS A 36 -0.693 -15.928 9.303 1.00 0.00 H new ATOM 0 HA CYS A 36 0.253 -17.669 7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.121 -18.581 9.450 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.590 -18.205 9.492 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.178 -21.002 9.030 1.00 0.00 H new ATOM 481 N SER A 37 -2.687 -16.320 7.447 1.00 0.00 N ATOM 482 CA SER A 37 -3.910 -16.052 6.746 1.00 0.00 C ATOM 483 C SER A 37 -4.281 -14.588 6.887 1.00 0.00 C ATOM 484 O SER A 37 -3.938 -13.944 7.897 1.00 0.00 O ATOM 485 CB SER A 37 -5.024 -16.985 7.244 1.00 0.00 C ATOM 486 OG SER A 37 -5.124 -16.957 8.663 1.00 0.00 O ATOM 0 H SER A 37 -2.576 -15.802 8.319 1.00 0.00 H new ATOM 0 HA SER A 37 -3.772 -16.253 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.976 -16.686 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.825 -18.004 6.911 1.00 0.00 H new ATOM 0 HG SER A 37 -5.752 -16.255 8.933 1.00 0.00 H new ATOM 492 N LEU A 38 -4.920 -14.063 5.877 1.00 0.00 N ATOM 493 CA LEU A 38 -5.329 -12.688 5.830 1.00 0.00 C ATOM 494 C LEU A 38 -6.804 -12.619 5.487 1.00 0.00 C ATOM 495 O LEU A 38 -7.255 -13.297 4.562 1.00 0.00 O ATOM 496 CB LEU A 38 -4.509 -11.961 4.755 1.00 0.00 C ATOM 497 CG LEU A 38 -4.875 -10.508 4.466 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.708 -9.667 5.699 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.020 -9.966 3.355 1.00 0.00 C ATOM 0 H LEU A 38 -5.176 -14.594 5.044 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.163 -12.213 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.460 -11.993 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.596 -12.523 3.825 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.920 -10.472 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.974 -8.634 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.358 -10.045 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.671 -9.711 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.292 -8.929 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.971 -10.017 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.177 -10.558 2.453 1.00 0.00 H new ATOM 511 N MET A 39 -7.549 -11.838 6.228 1.00 0.00 N ATOM 512 CA MET A 39 -8.953 -11.665 5.955 1.00 0.00 C ATOM 513 C MET A 39 -9.121 -10.575 4.916 1.00 0.00 C ATOM 514 O MET A 39 -8.892 -9.383 5.197 1.00 0.00 O ATOM 515 CB MET A 39 -9.728 -11.332 7.231 1.00 0.00 C ATOM 516 CG MET A 39 -11.222 -11.163 7.016 1.00 0.00 C ATOM 517 SD MET A 39 -12.125 -10.797 8.541 1.00 0.00 S ATOM 518 CE MET A 39 -11.391 -9.229 9.016 1.00 0.00 C ATOM 0 H MET A 39 -7.204 -11.309 7.029 1.00 0.00 H new ATOM 0 HA MET A 39 -9.361 -12.599 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.563 -12.124 7.962 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.326 -10.414 7.660 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.391 -10.359 6.300 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.624 -12.074 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.180 -8.518 9.263 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.750 -9.376 9.885 1.00 0.00 H new ATOM 0 HE3 MET A 39 -10.798 -8.840 8.189 1.00 0.00 H new ATOM 528 N ARG A 40 -9.486 -10.985 3.719 1.00 0.00 N ATOM 529 CA ARG A 40 -9.630 -10.076 2.597 1.00 0.00 C ATOM 530 C ARG A 40 -10.743 -9.066 2.868 1.00 0.00 C ATOM 531 O ARG A 40 -11.768 -9.397 3.487 1.00 0.00 O ATOM 532 CB ARG A 40 -9.861 -10.834 1.255 1.00 0.00 C ATOM 533 CG ARG A 40 -11.301 -11.250 0.925 1.00 0.00 C ATOM 534 CD ARG A 40 -11.867 -12.229 1.912 1.00 0.00 C ATOM 535 NE ARG A 40 -13.267 -12.558 1.619 1.00 0.00 N ATOM 536 CZ ARG A 40 -13.776 -13.801 1.569 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.973 -14.863 1.645 1.00 0.00 N ATOM 538 NH2 ARG A 40 -15.080 -13.977 1.394 1.00 0.00 N ATOM 0 H ARG A 40 -9.692 -11.959 3.495 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.692 -9.532 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.497 -10.204 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.243 -11.732 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.933 -10.362 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.327 -11.690 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.270 -13.141 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.795 -11.813 2.917 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.904 -11.782 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.966 -14.735 1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.366 -15.803 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.695 -13.169 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.467 -14.920 1.356 1.00 0.00 H new ATOM 552 N GLY A 41 -10.518 -7.850 2.456 1.00 0.00 N ATOM 553 CA GLY A 41 -11.474 -6.785 2.681 1.00 0.00 C ATOM 554 C GLY A 41 -11.297 -6.119 4.040 1.00 0.00 C ATOM 555 O GLY A 41 -11.796 -5.013 4.268 1.00 0.00 O ATOM 0 H GLY A 41 -9.675 -7.563 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.369 -6.036 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.485 -7.186 2.606 1.00 0.00 H new ATOM 559 N GLY A 42 -10.558 -6.768 4.924 1.00 0.00 N ATOM 560 CA GLY A 42 -10.367 -6.258 6.255 1.00 0.00 C ATOM 561 C GLY A 42 -9.245 -5.266 6.294 1.00 0.00 C ATOM 562 O GLY A 42 -8.539 -5.081 5.281 1.00 0.00 O ATOM 0 H GLY A 42 -10.083 -7.651 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.286 -5.787 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.153 -7.081 6.937 1.00 0.00 H new ATOM 566 N ILE A 43 -9.030 -4.654 7.447 1.00 0.00 N ATOM 567 CA ILE A 43 -8.004 -3.629 7.577 1.00 0.00 C ATOM 568 C ILE A 43 -6.610 -4.102 7.264 1.00 0.00 C ATOM 569 O ILE A 43 -5.850 -3.365 6.708 1.00 0.00 O ATOM 570 CB ILE A 43 -8.027 -2.826 8.906 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.508 -3.668 10.089 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.824 -1.542 8.763 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.527 -2.906 11.394 1.00 0.00 C ATOM 0 H ILE A 43 -9.549 -4.847 8.304 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.294 -2.927 6.795 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.996 -2.549 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.511 -4.040 9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.861 -4.539 10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.820 -1.004 9.711 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.374 -0.919 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.851 -1.780 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.878 -3.560 12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.521 -2.557 11.626 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.196 -2.050 11.306 1.00 0.00 H new ATOM 585 N ALA A 44 -6.292 -5.335 7.581 1.00 0.00 N ATOM 586 CA ALA A 44 -4.957 -5.862 7.334 1.00 0.00 C ATOM 587 C ALA A 44 -4.613 -5.890 5.854 1.00 0.00 C ATOM 588 O ALA A 44 -3.496 -5.530 5.465 1.00 0.00 O ATOM 589 CB ALA A 44 -4.806 -7.217 7.953 1.00 0.00 C ATOM 0 H ALA A 44 -6.936 -5.998 8.012 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.246 -5.184 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.803 -7.596 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.965 -7.145 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.541 -7.898 7.522 1.00 0.00 H new ATOM 595 N GLU A 45 -5.574 -6.255 5.029 1.00 0.00 N ATOM 596 CA GLU A 45 -5.348 -6.306 3.599 1.00 0.00 C ATOM 597 C GLU A 45 -5.155 -4.888 3.073 1.00 0.00 C ATOM 598 O GLU A 45 -4.303 -4.625 2.213 1.00 0.00 O ATOM 599 CB GLU A 45 -6.510 -7.013 2.893 1.00 0.00 C ATOM 600 CG GLU A 45 -6.319 -7.149 1.395 1.00 0.00 C ATOM 601 CD GLU A 45 -7.412 -7.922 0.729 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.513 -7.357 0.504 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.194 -9.098 0.380 1.00 0.00 O ATOM 0 H GLU A 45 -6.514 -6.519 5.323 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.447 -6.883 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.637 -8.005 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.430 -6.461 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.263 -6.155 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.365 -7.639 1.200 1.00 0.00 H new ATOM 610 N ARG A 46 -5.900 -3.976 3.651 1.00 0.00 N ATOM 611 CA ARG A 46 -5.821 -2.565 3.291 1.00 0.00 C ATOM 612 C ARG A 46 -4.564 -1.921 3.905 1.00 0.00 C ATOM 613 O ARG A 46 -4.065 -0.903 3.423 1.00 0.00 O ATOM 614 CB ARG A 46 -7.081 -1.834 3.751 1.00 0.00 C ATOM 615 CG ARG A 46 -8.364 -2.443 3.210 1.00 0.00 C ATOM 616 CD ARG A 46 -9.582 -1.648 3.631 1.00 0.00 C ATOM 617 NE ARG A 46 -10.837 -2.237 3.124 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.406 -1.922 1.945 1.00 0.00 C ATOM 619 NH1 ARG A 46 -10.739 -1.192 1.052 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.616 -2.370 1.652 1.00 0.00 N ATOM 0 H ARG A 46 -6.579 -4.182 4.384 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.749 -2.484 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.117 -1.838 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.022 -0.792 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.316 -2.486 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.458 -3.469 3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.621 -1.596 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.490 -0.625 3.266 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.306 -2.931 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.794 -0.870 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.173 -0.955 0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.119 -2.955 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.046 -2.131 0.759 1.00 0.00 H new ATOM 634 N GLY A 47 -4.081 -2.517 4.971 1.00 0.00 N ATOM 635 CA GLY A 47 -2.893 -2.066 5.644 1.00 0.00 C ATOM 636 C GLY A 47 -1.630 -2.506 4.944 1.00 0.00 C ATOM 637 O GLY A 47 -0.568 -1.892 5.122 1.00 0.00 O ATOM 0 H GLY A 47 -4.510 -3.338 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.908 -0.978 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.891 -2.448 6.665 1.00 0.00 H new ATOM 641 N GLY A 48 -1.724 -3.570 4.164 1.00 0.00 N ATOM 642 CA GLY A 48 -0.576 -4.019 3.400 1.00 0.00 C ATOM 643 C GLY A 48 -0.008 -5.313 3.906 1.00 0.00 C ATOM 644 O GLY A 48 1.086 -5.730 3.493 1.00 0.00 O ATOM 0 H GLY A 48 -2.568 -4.130 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.865 -4.138 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.197 -3.252 3.431 1.00 0.00 H new ATOM 648 N VAL A 49 -0.739 -5.947 4.795 1.00 0.00 N ATOM 649 CA VAL A 49 -0.354 -7.211 5.372 1.00 0.00 C ATOM 650 C VAL A 49 -0.375 -8.285 4.294 1.00 0.00 C ATOM 651 O VAL A 49 -1.286 -8.331 3.484 1.00 0.00 O ATOM 652 CB VAL A 49 -1.329 -7.591 6.514 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.106 -8.991 7.019 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.209 -6.627 7.667 1.00 0.00 C ATOM 0 H VAL A 49 -1.630 -5.592 5.141 1.00 0.00 H new ATOM 0 HA VAL A 49 0.652 -7.129 5.782 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.332 -7.538 6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.815 -9.207 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.252 -9.699 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.089 -9.082 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.904 -6.915 8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.190 -6.648 8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.446 -5.620 7.325 1.00 0.00 H new ATOM 664 N ARG A 50 0.640 -9.111 4.270 1.00 0.00 N ATOM 665 CA ARG A 50 0.730 -10.180 3.310 1.00 0.00 C ATOM 666 C ARG A 50 1.114 -11.443 3.982 1.00 0.00 C ATOM 667 O ARG A 50 1.913 -11.449 4.918 1.00 0.00 O ATOM 668 CB ARG A 50 1.695 -9.845 2.171 1.00 0.00 C ATOM 669 CG ARG A 50 1.185 -8.765 1.233 1.00 0.00 C ATOM 670 CD ARG A 50 -0.078 -9.217 0.524 1.00 0.00 C ATOM 671 NE ARG A 50 -0.600 -8.217 -0.406 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.265 -8.509 -1.531 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.427 -9.784 -1.900 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.759 -7.534 -2.287 1.00 0.00 N ATOM 0 H ARG A 50 1.428 -9.061 4.916 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.255 -10.310 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.646 -9.525 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.891 -10.750 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.985 -7.853 1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.953 -8.523 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.127 -10.139 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.842 -9.448 1.266 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.448 -7.233 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.044 -10.534 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.934 -10.006 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.632 -6.560 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.265 -7.759 -3.143 1.00 0.00 H new ATOM 688 N VAL A 51 0.540 -12.488 3.509 1.00 0.00 N ATOM 689 CA VAL A 51 0.740 -13.812 4.028 1.00 0.00 C ATOM 690 C VAL A 51 2.131 -14.320 3.642 1.00 0.00 C ATOM 691 O VAL A 51 2.654 -13.968 2.584 1.00 0.00 O ATOM 692 CB VAL A 51 -0.378 -14.728 3.488 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.125 -16.195 3.779 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.716 -14.316 4.069 1.00 0.00 C ATOM 0 H VAL A 51 -0.107 -12.455 2.721 1.00 0.00 H new ATOM 0 HA VAL A 51 0.689 -13.808 5.117 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.388 -14.609 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.943 -16.792 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.812 -16.502 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.061 -16.346 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.498 -14.969 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.681 -14.397 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.932 -13.285 3.789 1.00 0.00 H new ATOM 704 N GLY A 52 2.742 -15.092 4.527 1.00 0.00 N ATOM 705 CA GLY A 52 4.080 -15.593 4.277 1.00 0.00 C ATOM 706 C GLY A 52 5.101 -14.570 4.698 1.00 0.00 C ATOM 707 O GLY A 52 6.241 -14.563 4.241 1.00 0.00 O ATOM 0 H GLY A 52 2.335 -15.382 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.237 -16.522 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.199 -15.823 3.218 1.00 0.00 H new ATOM 711 N HIS A 53 4.675 -13.684 5.558 1.00 0.00 N ATOM 712 CA HIS A 53 5.504 -12.626 6.054 1.00 0.00 C ATOM 713 C HIS A 53 5.706 -12.739 7.531 1.00 0.00 C ATOM 714 O HIS A 53 4.762 -12.980 8.270 1.00 0.00 O ATOM 715 CB HIS A 53 4.914 -11.255 5.729 1.00 0.00 C ATOM 716 CG HIS A 53 5.209 -10.748 4.361 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.455 -9.414 4.091 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.293 -11.391 3.179 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.677 -9.273 2.798 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.585 -10.455 2.234 1.00 0.00 N ATOM 0 H HIS A 53 3.728 -13.680 5.937 1.00 0.00 H new ATOM 0 HA HIS A 53 6.468 -12.723 5.555 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.833 -11.303 5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.289 -10.534 6.455 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.463 -8.661 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.155 -12.449 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.897 -8.345 2.291 1.00 0.00 H new ATOM 729 N ARG A 54 6.930 -12.547 7.957 1.00 0.00 N ATOM 730 CA ARG A 54 7.254 -12.567 9.357 1.00 0.00 C ATOM 731 C ARG A 54 7.295 -11.162 9.828 1.00 0.00 C ATOM 732 O ARG A 54 7.998 -10.330 9.235 1.00 0.00 O ATOM 733 CB ARG A 54 8.598 -13.269 9.640 1.00 0.00 C ATOM 734 CG ARG A 54 9.022 -13.213 11.104 1.00 0.00 C ATOM 735 CD ARG A 54 10.099 -14.239 11.445 1.00 0.00 C ATOM 736 NE ARG A 54 11.329 -14.151 10.631 1.00 0.00 N ATOM 737 CZ ARG A 54 12.467 -14.809 10.943 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.596 -15.378 12.138 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.487 -14.851 10.094 1.00 0.00 N ATOM 0 H ARG A 54 7.726 -12.373 7.343 1.00 0.00 H new ATOM 0 HA ARG A 54 6.494 -13.138 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.525 -14.312 9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.374 -12.809 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.393 -12.214 11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.151 -13.383 11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.368 -14.125 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.677 -15.237 11.331 1.00 0.00 H new ATOM 0 HE ARG A 54 11.318 -13.567 9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.837 -15.317 12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.454 -15.875 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.418 -14.382 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.339 -15.352 10.345 1.00 0.00 H new ATOM 753 N ILE A 55 6.520 -10.870 10.817 1.00 0.00 N ATOM 754 CA ILE A 55 6.505 -9.558 11.372 1.00 0.00 C ATOM 755 C ILE A 55 7.696 -9.400 12.268 1.00 0.00 C ATOM 756 O ILE A 55 7.908 -10.187 13.182 1.00 0.00 O ATOM 757 CB ILE A 55 5.238 -9.273 12.174 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.007 -9.557 11.333 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.237 -7.818 12.646 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.750 -9.209 12.033 1.00 0.00 C ATOM 0 H ILE A 55 5.882 -11.530 11.262 1.00 0.00 H new ATOM 0 HA ILE A 55 6.533 -8.849 10.545 1.00 0.00 H new ATOM 0 HB ILE A 55 5.217 -9.926 13.046 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.069 -8.993 10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.990 -10.613 11.065 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.330 -7.622 13.218 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.109 -7.639 13.276 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.272 -7.155 11.782 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.900 -9.432 11.387 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.671 -9.792 12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.752 -8.147 12.277 1.00 0.00 H new ATOM 772 N ILE A 56 8.483 -8.420 11.988 1.00 0.00 N ATOM 773 CA ILE A 56 9.635 -8.189 12.753 1.00 0.00 C ATOM 774 C ILE A 56 9.452 -7.090 13.755 1.00 0.00 C ATOM 775 O ILE A 56 10.195 -7.007 14.729 1.00 0.00 O ATOM 776 CB ILE A 56 10.897 -7.959 11.915 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.812 -6.667 11.136 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.110 -9.133 10.968 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.084 -6.340 10.442 1.00 0.00 C ATOM 0 H ILE A 56 8.337 -7.763 11.221 1.00 0.00 H new ATOM 0 HA ILE A 56 9.790 -9.118 13.301 1.00 0.00 H new ATOM 0 HB ILE A 56 11.747 -7.883 12.593 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.009 -6.740 10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.551 -5.854 11.813 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.009 -8.964 10.375 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.224 -10.050 11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.250 -9.226 10.305 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.971 -5.403 9.897 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.883 -6.238 11.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.333 -7.139 9.743 1.00 0.00 H new ATOM 791 N GLU A 57 8.428 -6.282 13.579 1.00 0.00 N ATOM 792 CA GLU A 57 8.272 -5.135 14.441 1.00 0.00 C ATOM 793 C GLU A 57 6.849 -4.675 14.436 1.00 0.00 C ATOM 794 O GLU A 57 6.176 -4.797 13.425 1.00 0.00 O ATOM 795 CB GLU A 57 9.199 -4.003 13.987 1.00 0.00 C ATOM 796 CG GLU A 57 9.238 -2.820 14.921 1.00 0.00 C ATOM 797 CD GLU A 57 10.143 -1.727 14.429 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.370 -1.830 14.595 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.644 -0.736 13.872 1.00 0.00 O ATOM 0 H GLU A 57 7.709 -6.395 12.865 1.00 0.00 H new ATOM 0 HA GLU A 57 8.542 -5.420 15.458 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.209 -4.398 13.878 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.882 -3.663 13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.230 -2.425 15.043 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.573 -3.149 15.905 1.00 0.00 H new ATOM 806 N ILE A 58 6.401 -4.210 15.581 1.00 0.00 N ATOM 807 CA ILE A 58 5.073 -3.683 15.787 1.00 0.00 C ATOM 808 C ILE A 58 5.185 -2.452 16.696 1.00 0.00 C ATOM 809 O ILE A 58 5.671 -2.555 17.829 1.00 0.00 O ATOM 810 CB ILE A 58 4.163 -4.737 16.476 1.00 0.00 C ATOM 811 CG1 ILE A 58 4.017 -5.977 15.594 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.783 -4.140 16.763 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.448 -7.167 16.313 1.00 0.00 C ATOM 0 H ILE A 58 6.974 -4.188 16.425 1.00 0.00 H new ATOM 0 HA ILE A 58 4.634 -3.423 14.824 1.00 0.00 H new ATOM 0 HB ILE A 58 4.628 -5.028 17.418 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.376 -5.735 14.746 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.994 -6.241 15.190 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.156 -4.889 17.246 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.889 -3.277 17.421 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.320 -3.828 15.827 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.374 -8.008 15.623 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.100 -7.436 17.144 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.457 -6.922 16.694 1.00 0.00 H new ATOM 825 N ASN A 59 4.786 -1.304 16.176 1.00 0.00 N ATOM 826 CA ASN A 59 4.798 0.005 16.876 1.00 0.00 C ATOM 827 C ASN A 59 6.151 0.393 17.469 1.00 0.00 C ATOM 828 O ASN A 59 6.224 1.150 18.444 1.00 0.00 O ATOM 829 CB ASN A 59 3.680 0.108 17.916 1.00 0.00 C ATOM 830 CG ASN A 59 2.317 0.274 17.279 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.185 0.862 16.190 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.302 -0.220 17.930 1.00 0.00 N ATOM 0 H ASN A 59 4.429 -1.237 15.223 1.00 0.00 H new ATOM 0 HA ASN A 59 4.605 0.740 16.094 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.681 -0.787 18.538 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.876 0.954 18.575 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.360 -0.131 17.549 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.450 -0.696 18.820 1.00 0.00 H new ATOM 839 N GLY A 60 7.208 -0.104 16.880 1.00 0.00 N ATOM 840 CA GLY A 60 8.533 0.276 17.298 1.00 0.00 C ATOM 841 C GLY A 60 9.222 -0.829 18.035 1.00 0.00 C ATOM 842 O GLY A 60 10.431 -0.788 18.259 1.00 0.00 O ATOM 0 H GLY A 60 7.177 -0.772 16.110 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.124 0.554 16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.474 1.157 17.937 1.00 0.00 H new ATOM 846 N GLN A 61 8.475 -1.832 18.358 1.00 0.00 N ATOM 847 CA GLN A 61 8.963 -2.942 19.109 1.00 0.00 C ATOM 848 C GLN A 61 9.262 -4.103 18.196 1.00 0.00 C ATOM 849 O GLN A 61 8.384 -4.550 17.460 1.00 0.00 O ATOM 850 CB GLN A 61 7.940 -3.323 20.178 1.00 0.00 C ATOM 851 CG GLN A 61 8.141 -4.698 20.751 1.00 0.00 C ATOM 852 CD GLN A 61 7.222 -5.007 21.913 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.112 -4.474 22.017 1.00 0.00 O ATOM 854 NE2 GLN A 61 7.655 -5.881 22.772 1.00 0.00 N ATOM 0 H GLN A 61 7.490 -1.905 18.103 1.00 0.00 H new ATOM 0 HA GLN A 61 9.894 -2.666 19.604 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.985 -2.593 20.986 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.940 -3.262 19.748 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.982 -5.437 19.966 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.176 -4.799 21.079 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.577 -6.300 22.653 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.072 -6.148 23.565 1.00 0.00 H new ATOM 863 N SER A 62 10.495 -4.568 18.221 1.00 0.00 N ATOM 864 CA SER A 62 10.884 -5.716 17.446 1.00 0.00 C ATOM 865 C SER A 62 10.247 -6.949 18.079 1.00 0.00 C ATOM 866 O SER A 62 10.641 -7.368 19.157 1.00 0.00 O ATOM 867 CB SER A 62 12.416 -5.861 17.421 1.00 0.00 C ATOM 868 OG SER A 62 13.056 -4.716 16.852 1.00 0.00 O ATOM 0 H SER A 62 11.247 -4.160 18.777 1.00 0.00 H new ATOM 0 HA SER A 62 10.546 -5.601 16.416 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.782 -6.013 18.436 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.686 -6.748 16.849 1.00 0.00 H new ATOM 0 HG SER A 62 14.027 -4.848 16.857 1.00 0.00 H new ATOM 874 N VAL A 63 9.261 -7.519 17.426 1.00 0.00 N ATOM 875 CA VAL A 63 8.533 -8.618 17.988 1.00 0.00 C ATOM 876 C VAL A 63 8.989 -9.914 17.365 1.00 0.00 C ATOM 877 O VAL A 63 8.433 -10.974 17.610 1.00 0.00 O ATOM 878 CB VAL A 63 7.026 -8.420 17.796 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.591 -7.138 18.500 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.697 -8.343 16.321 1.00 0.00 C ATOM 0 H VAL A 63 8.948 -7.233 16.499 1.00 0.00 H new ATOM 0 HA VAL A 63 8.733 -8.661 19.059 1.00 0.00 H new ATOM 0 HB VAL A 63 6.491 -9.266 18.227 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.519 -6.995 18.365 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.816 -7.213 19.564 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.127 -6.290 18.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.624 -8.202 16.195 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.228 -7.503 15.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.002 -9.268 15.831 1.00 0.00 H new ATOM 890 N VAL A 64 10.071 -9.818 16.634 1.00 0.00 N ATOM 891 CA VAL A 64 10.635 -10.933 15.907 1.00 0.00 C ATOM 892 C VAL A 64 11.293 -11.951 16.870 1.00 0.00 C ATOM 893 O VAL A 64 11.621 -13.083 16.493 1.00 0.00 O ATOM 894 CB VAL A 64 11.657 -10.416 14.877 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.999 -10.060 15.492 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.767 -11.341 13.701 1.00 0.00 C ATOM 0 H VAL A 64 10.595 -8.950 16.524 1.00 0.00 H new ATOM 0 HA VAL A 64 9.832 -11.450 15.382 1.00 0.00 H new ATOM 0 HB VAL A 64 11.270 -9.471 14.495 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.673 -9.703 14.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.861 -9.278 16.239 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.428 -10.943 15.966 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.497 -10.946 12.994 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.088 -12.326 14.041 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.796 -11.425 13.212 1.00 0.00 H new ATOM 906 N ALA A 65 11.479 -11.524 18.096 1.00 0.00 N ATOM 907 CA ALA A 65 12.060 -12.339 19.131 1.00 0.00 C ATOM 908 C ALA A 65 11.091 -12.424 20.301 1.00 0.00 C ATOM 909 O ALA A 65 11.434 -12.860 21.388 1.00 0.00 O ATOM 910 CB ALA A 65 13.379 -11.728 19.563 1.00 0.00 C ATOM 0 H ALA A 65 11.226 -10.585 18.405 1.00 0.00 H new ATOM 0 HA ALA A 65 12.248 -13.347 18.761 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.824 -12.341 20.347 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.056 -11.682 18.710 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.206 -10.721 19.943 1.00 0.00 H new ATOM 916 N THR A 66 9.881 -12.017 20.046 1.00 0.00 N ATOM 917 CA THR A 66 8.845 -11.966 20.999 1.00 0.00 C ATOM 918 C THR A 66 8.001 -13.243 20.855 1.00 0.00 C ATOM 919 O THR A 66 7.775 -13.700 19.733 1.00 0.00 O ATOM 920 CB THR A 66 8.048 -10.688 20.681 1.00 0.00 C ATOM 921 OG1 THR A 66 8.938 -9.568 20.832 1.00 0.00 O ATOM 922 CG2 THR A 66 6.839 -10.490 21.556 1.00 0.00 C ATOM 0 H THR A 66 9.591 -11.700 19.121 1.00 0.00 H new ATOM 0 HA THR A 66 9.195 -11.927 22.031 1.00 0.00 H new ATOM 0 HB THR A 66 7.668 -10.779 19.663 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.416 -8.756 20.999 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.330 -9.569 21.271 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.159 -11.333 21.433 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.151 -10.424 22.598 1.00 0.00 H new ATOM 930 N PRO A 67 7.613 -13.892 21.973 1.00 0.00 N ATOM 931 CA PRO A 67 6.804 -15.114 21.930 1.00 0.00 C ATOM 932 C PRO A 67 5.479 -14.914 21.170 1.00 0.00 C ATOM 933 O PRO A 67 4.910 -13.810 21.167 1.00 0.00 O ATOM 934 CB PRO A 67 6.546 -15.454 23.410 1.00 0.00 C ATOM 935 CG PRO A 67 6.962 -14.249 24.190 1.00 0.00 C ATOM 936 CD PRO A 67 7.964 -13.510 23.351 1.00 0.00 C ATOM 0 HA PRO A 67 7.316 -15.914 21.395 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.494 -15.684 23.579 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.117 -16.331 23.714 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.102 -13.617 24.411 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.398 -14.539 25.146 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.893 -12.432 23.498 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.985 -13.799 23.599 1.00 0.00 H new ATOM 944 N HIS A 68 4.997 -15.993 20.550 1.00 0.00 N ATOM 945 CA HIS A 68 3.769 -16.008 19.738 1.00 0.00 C ATOM 946 C HIS A 68 2.592 -15.352 20.441 1.00 0.00 C ATOM 947 O HIS A 68 1.905 -14.525 19.845 1.00 0.00 O ATOM 948 CB HIS A 68 3.412 -17.468 19.316 1.00 0.00 C ATOM 949 CG HIS A 68 1.969 -17.697 18.872 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.480 -17.360 17.629 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.921 -18.241 19.543 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.201 -17.688 17.562 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.156 -18.221 18.704 1.00 0.00 N ATOM 0 H HIS A 68 5.456 -16.903 20.597 1.00 0.00 H new ATOM 0 HA HIS A 68 3.972 -15.416 18.846 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.074 -17.763 18.502 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.624 -18.131 20.155 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.937 -18.620 20.554 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.443 -17.541 16.707 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.089 -18.566 18.930 1.00 0.00 H new ATOM 962 N GLU A 69 2.369 -15.720 21.680 1.00 0.00 N ATOM 963 CA GLU A 69 1.234 -15.229 22.408 1.00 0.00 C ATOM 964 C GLU A 69 1.373 -13.754 22.675 1.00 0.00 C ATOM 965 O GLU A 69 0.395 -13.032 22.619 1.00 0.00 O ATOM 966 CB GLU A 69 1.051 -15.986 23.696 1.00 0.00 C ATOM 967 CG GLU A 69 -0.281 -15.718 24.355 1.00 0.00 C ATOM 968 CD GLU A 69 -0.464 -16.489 25.616 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.638 -17.728 25.550 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.464 -15.881 26.702 1.00 0.00 O ATOM 0 H GLU A 69 2.965 -16.361 22.203 1.00 0.00 H new ATOM 0 HA GLU A 69 0.346 -15.386 21.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.144 -17.054 23.499 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.852 -15.718 24.385 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.368 -14.653 24.569 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.083 -15.970 23.661 1.00 0.00 H new ATOM 977 N LYS A 70 2.602 -13.296 22.917 1.00 0.00 N ATOM 978 CA LYS A 70 2.830 -11.895 23.121 1.00 0.00 C ATOM 979 C LYS A 70 2.494 -11.133 21.893 1.00 0.00 C ATOM 980 O LYS A 70 1.755 -10.181 21.962 1.00 0.00 O ATOM 981 CB LYS A 70 4.248 -11.568 23.499 1.00 0.00 C ATOM 982 CG LYS A 70 4.399 -11.145 24.924 1.00 0.00 C ATOM 983 CD LYS A 70 5.645 -10.327 25.085 1.00 0.00 C ATOM 984 CE LYS A 70 5.822 -9.845 26.499 1.00 0.00 C ATOM 985 NZ LYS A 70 4.665 -9.059 26.992 1.00 0.00 N ATOM 0 H LYS A 70 3.436 -13.880 22.973 1.00 0.00 H new ATOM 0 HA LYS A 70 2.185 -11.610 23.952 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.875 -12.441 23.318 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.615 -10.772 22.851 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.530 -10.565 25.234 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.443 -12.022 25.570 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.510 -10.923 24.794 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.606 -9.471 24.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.976 -10.703 27.153 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.722 -9.233 26.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.931 -8.559 27.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.382 -8.367 26.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.869 -9.699 27.189 1.00 0.00 H new ATOM 999 N ILE A 71 3.014 -11.586 20.767 1.00 0.00 N ATOM 1000 CA ILE A 71 2.793 -10.938 19.483 1.00 0.00 C ATOM 1001 C ILE A 71 1.291 -10.770 19.235 1.00 0.00 C ATOM 1002 O ILE A 71 0.826 -9.693 18.854 1.00 0.00 O ATOM 1003 CB ILE A 71 3.434 -11.749 18.324 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.931 -11.955 18.582 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.244 -11.027 16.999 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.644 -12.753 17.506 1.00 0.00 C ATOM 0 H ILE A 71 3.604 -12.416 20.715 1.00 0.00 H new ATOM 0 HA ILE A 71 3.268 -9.958 19.513 1.00 0.00 H new ATOM 0 HB ILE A 71 2.940 -12.720 18.275 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.410 -10.980 18.673 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.057 -12.463 19.538 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.699 -11.610 16.198 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.179 -10.907 16.800 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.717 -10.046 17.048 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.698 -12.853 17.765 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.194 -13.743 17.429 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.553 -12.237 16.550 1.00 0.00 H new ATOM 1018 N VAL A 72 0.537 -11.811 19.542 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.899 -11.784 19.363 1.00 0.00 C ATOM 1020 C VAL A 72 -1.562 -10.872 20.412 1.00 0.00 C ATOM 1021 O VAL A 72 -2.541 -10.189 20.123 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.498 -13.225 19.421 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.019 -13.211 19.323 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.919 -14.067 18.299 1.00 0.00 C ATOM 0 H VAL A 72 0.900 -12.687 19.918 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.108 -11.374 18.375 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.231 -13.658 20.385 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.396 -14.233 19.367 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.432 -12.636 20.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.319 -12.754 18.380 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.340 -15.072 18.344 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.165 -13.613 17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.164 -14.122 18.407 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.971 -10.806 21.589 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.539 -10.055 22.706 1.00 0.00 C ATOM 1036 C HIS A 73 -1.337 -8.566 22.452 1.00 0.00 C ATOM 1037 O HIS A 73 -2.234 -7.753 22.676 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.862 -10.477 24.026 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.571 -10.012 25.260 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.121 -8.996 26.054 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -2.700 -10.464 25.841 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -1.942 -8.836 27.066 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.913 -9.717 26.958 1.00 0.00 N ATOM 0 H HIS A 73 -0.087 -11.267 21.804 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.605 -10.265 22.790 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.789 -11.564 24.051 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.156 -10.089 24.038 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.322 -11.272 25.485 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.838 -8.105 27.854 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.695 -9.822 27.604 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.166 -8.243 21.953 1.00 0.00 N ATOM 1053 CA ILE A 74 0.217 -6.907 21.593 1.00 0.00 C ATOM 1054 C ILE A 74 -0.665 -6.420 20.450 1.00 0.00 C ATOM 1055 O ILE A 74 -1.245 -5.329 20.513 1.00 0.00 O ATOM 1056 CB ILE A 74 1.701 -6.912 21.184 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.532 -7.291 22.405 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.126 -5.551 20.651 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.895 -7.797 22.082 1.00 0.00 C ATOM 0 H ILE A 74 0.568 -8.931 21.783 1.00 0.00 H new ATOM 0 HA ILE A 74 0.086 -6.230 22.437 1.00 0.00 H new ATOM 0 HB ILE A 74 1.857 -7.636 20.384 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.624 -6.419 23.053 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.998 -8.054 22.971 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.179 -5.583 20.370 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.524 -5.298 19.778 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.980 -4.796 21.423 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.420 -8.044 23.005 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.814 -8.689 21.461 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.450 -7.029 21.543 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.810 -7.264 19.432 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.681 -6.965 18.300 1.00 0.00 C ATOM 1073 C LEU A 75 -3.133 -6.829 18.736 1.00 0.00 C ATOM 1074 O LEU A 75 -3.863 -6.016 18.213 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.547 -8.018 17.199 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.235 -8.011 16.420 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.190 -9.185 15.456 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.077 -6.695 15.662 1.00 0.00 C ATOM 0 H LEU A 75 -0.333 -8.164 19.368 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.360 -6.007 17.892 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.674 -9.003 17.649 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.366 -7.882 16.493 1.00 0.00 H new ATOM 0 HG LEU A 75 0.591 -8.107 17.125 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.751 -9.169 14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.268 -10.118 16.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.021 -9.112 14.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.863 -6.703 15.111 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.906 -6.575 14.964 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.075 -5.866 16.369 1.00 0.00 H new ATOM 1090 N SER A 76 -3.528 -7.611 19.701 1.00 0.00 N ATOM 1091 CA SER A 76 -4.866 -7.560 20.255 1.00 0.00 C ATOM 1092 C SER A 76 -5.155 -6.201 20.922 1.00 0.00 C ATOM 1093 O SER A 76 -6.287 -5.732 20.896 1.00 0.00 O ATOM 1094 CB SER A 76 -5.049 -8.715 21.266 1.00 0.00 C ATOM 1095 OG SER A 76 -6.313 -8.670 21.932 1.00 0.00 O ATOM 0 H SER A 76 -2.928 -8.313 20.135 1.00 0.00 H new ATOM 0 HA SER A 76 -5.580 -7.675 19.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.951 -9.667 20.745 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.251 -8.674 22.007 1.00 0.00 H new ATOM 0 HG SER A 76 -6.380 -9.421 22.558 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.128 -5.565 21.473 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.306 -4.314 22.226 1.00 0.00 C ATOM 1103 C ASN A 77 -4.093 -3.057 21.401 1.00 0.00 C ATOM 1104 O ASN A 77 -4.720 -2.030 21.666 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.379 -4.246 23.454 1.00 0.00 C ATOM 1106 CG ASN A 77 -3.812 -5.086 24.649 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -3.546 -4.717 25.794 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.442 -6.209 24.420 1.00 0.00 N ATOM 0 H ASN A 77 -3.162 -5.888 21.417 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.350 -4.340 22.538 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.381 -4.563 23.152 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.301 -3.206 23.772 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.726 -6.803 25.199 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.650 -6.491 23.462 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.226 -3.116 20.429 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.847 -1.913 19.702 1.00 0.00 C ATOM 1117 C ALA A 78 -3.871 -1.493 18.659 1.00 0.00 C ATOM 1118 O ALA A 78 -4.326 -2.312 17.859 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.445 -2.055 19.092 1.00 0.00 C ATOM 0 H ALA A 78 -2.766 -3.971 20.116 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.821 -1.106 20.435 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.188 -1.142 18.555 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.718 -2.226 19.886 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.432 -2.898 18.401 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.240 -0.213 18.690 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.131 0.371 17.685 1.00 0.00 C ATOM 1127 C VAL A 79 -4.492 1.664 17.152 1.00 0.00 C ATOM 1128 O VAL A 79 -3.384 2.030 17.580 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.597 0.651 18.214 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -7.081 -0.411 19.086 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.817 2.005 18.825 1.00 0.00 C ATOM 0 H VAL A 79 -3.933 0.445 19.406 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.247 -0.362 16.887 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.201 0.657 17.307 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.090 -0.174 19.423 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.094 -1.354 18.539 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.422 -0.502 19.949 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.853 2.092 19.154 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.153 2.130 19.680 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.605 2.777 18.085 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.161 2.335 16.244 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.665 3.556 15.680 1.00 0.00 C ATOM 1143 C GLY A 80 -3.780 3.270 14.519 1.00 0.00 C ATOM 1144 O GLY A 80 -3.968 2.250 13.849 1.00 0.00 O ATOM 0 H GLY A 80 -6.067 2.043 15.878 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.499 4.183 15.364 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.114 4.116 16.436 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.836 4.144 14.273 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.851 3.937 13.251 1.00 0.00 C ATOM 1150 C GLU A 81 -0.803 2.987 13.792 1.00 0.00 C ATOM 1151 O GLU A 81 -0.026 3.334 14.695 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.198 5.258 12.796 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.091 6.203 11.971 1.00 0.00 C ATOM 1154 CD GLU A 81 -3.256 6.796 12.728 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -3.090 7.859 13.367 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -4.366 6.237 12.682 1.00 0.00 O ATOM 0 H GLU A 81 -2.732 5.022 14.781 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.337 3.513 12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.855 5.794 13.681 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.313 5.019 12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.476 7.016 11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.476 5.657 11.110 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.807 1.804 13.286 1.00 0.00 N ATOM 1164 CA ILE A 82 0.058 0.753 13.756 1.00 0.00 C ATOM 1165 C ILE A 82 1.081 0.434 12.710 1.00 0.00 C ATOM 1166 O ILE A 82 0.739 0.037 11.599 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.748 -0.526 14.072 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.815 -0.226 15.115 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.177 -1.651 14.562 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.761 -1.365 15.349 1.00 0.00 C ATOM 0 H ILE A 82 -1.419 1.524 12.519 1.00 0.00 H new ATOM 0 HA ILE A 82 0.546 1.099 14.667 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.233 -0.862 13.155 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.329 0.031 16.056 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.384 0.649 14.800 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.415 -2.541 14.778 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.910 -1.882 13.789 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.693 -1.330 15.467 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.494 -1.080 16.104 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.274 -1.609 14.419 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.204 -2.236 15.695 1.00 0.00 H new ATOM 1182 N HIS A 83 2.316 0.618 13.053 1.00 0.00 N ATOM 1183 CA HIS A 83 3.403 0.319 12.156 1.00 0.00 C ATOM 1184 C HIS A 83 3.894 -1.060 12.440 1.00 0.00 C ATOM 1185 O HIS A 83 4.061 -1.425 13.593 1.00 0.00 O ATOM 1186 CB HIS A 83 4.573 1.301 12.323 1.00 0.00 C ATOM 1187 CG HIS A 83 4.359 2.679 11.784 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.124 3.206 10.778 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.493 3.649 12.137 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.742 4.434 10.531 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.752 4.731 11.343 1.00 0.00 N ATOM 0 H HIS A 83 2.607 0.980 13.961 1.00 0.00 H new ATOM 0 HA HIS A 83 3.031 0.406 11.135 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.805 1.381 13.385 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.450 0.875 11.836 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.736 3.584 12.904 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.168 5.091 9.787 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.258 5.623 11.375 1.00 0.00 H new ATOM 1200 N MET A 84 4.039 -1.838 11.424 1.00 0.00 N ATOM 1201 CA MET A 84 4.642 -3.131 11.546 1.00 0.00 C ATOM 1202 C MET A 84 5.642 -3.275 10.447 1.00 0.00 C ATOM 1203 O MET A 84 5.517 -2.635 9.403 1.00 0.00 O ATOM 1204 CB MET A 84 3.647 -4.263 11.407 1.00 0.00 C ATOM 1205 CG MET A 84 2.452 -4.237 12.332 1.00 0.00 C ATOM 1206 SD MET A 84 1.465 -5.727 12.152 1.00 0.00 S ATOM 1207 CE MET A 84 1.480 -5.887 10.372 1.00 0.00 C ATOM 0 H MET A 84 3.743 -1.599 10.478 1.00 0.00 H new ATOM 0 HA MET A 84 5.086 -3.195 12.539 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.282 -4.270 10.380 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.177 -5.202 11.563 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.789 -4.142 13.364 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.839 -3.362 12.115 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.708 -6.592 10.064 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.287 -4.915 9.918 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.455 -6.252 10.048 1.00 0.00 H new ATOM 1217 N LYS A 85 6.602 -4.119 10.635 1.00 0.00 N ATOM 1218 CA LYS A 85 7.608 -4.336 9.648 1.00 0.00 C ATOM 1219 C LYS A 85 7.588 -5.786 9.375 1.00 0.00 C ATOM 1220 O LYS A 85 7.722 -6.572 10.283 1.00 0.00 O ATOM 1221 CB LYS A 85 8.978 -3.911 10.188 1.00 0.00 C ATOM 1222 CG LYS A 85 9.036 -2.463 10.609 1.00 0.00 C ATOM 1223 CD LYS A 85 9.216 -1.533 9.433 1.00 0.00 C ATOM 1224 CE LYS A 85 10.671 -1.377 9.049 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.819 -0.540 7.839 1.00 0.00 N ATOM 0 H LYS A 85 6.711 -4.680 11.480 1.00 0.00 H new ATOM 0 HA LYS A 85 7.424 -3.755 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.235 -4.540 11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.733 -4.089 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.119 -2.203 11.138 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.859 -2.323 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.655 -1.915 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.799 -0.556 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.221 -0.927 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.110 -2.359 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.733 -0.743 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.048 -0.752 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.780 0.465 8.105 1.00 0.00 H new ATOM 1239 N THR A 86 7.340 -6.149 8.183 1.00 0.00 N ATOM 1240 CA THR A 86 7.264 -7.540 7.864 1.00 0.00 C ATOM 1241 C THR A 86 8.311 -7.899 6.826 1.00 0.00 C ATOM 1242 O THR A 86 8.653 -7.084 5.996 1.00 0.00 O ATOM 1243 CB THR A 86 5.838 -7.947 7.363 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.554 -7.375 6.069 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.766 -7.477 8.338 1.00 0.00 C ATOM 0 H THR A 86 7.184 -5.514 7.400 1.00 0.00 H new ATOM 0 HA THR A 86 7.461 -8.099 8.779 1.00 0.00 H new ATOM 0 HB THR A 86 5.826 -9.035 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.588 -6.397 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.784 -7.771 7.968 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.938 -7.931 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.809 -6.392 8.430 1.00 0.00 H new ATOM 1253 N MET A 87 8.835 -9.085 6.896 1.00 0.00 N ATOM 1254 CA MET A 87 9.791 -9.552 5.905 1.00 0.00 C ATOM 1255 C MET A 87 9.161 -10.749 5.242 1.00 0.00 C ATOM 1256 O MET A 87 8.158 -11.232 5.755 1.00 0.00 O ATOM 1257 CB MET A 87 11.138 -9.957 6.549 1.00 0.00 C ATOM 1258 CG MET A 87 11.831 -8.860 7.317 1.00 0.00 C ATOM 1259 SD MET A 87 13.549 -9.265 7.741 1.00 0.00 S ATOM 1260 CE MET A 87 13.354 -10.826 8.611 1.00 0.00 C ATOM 0 H MET A 87 8.623 -9.761 7.630 1.00 0.00 H new ATOM 0 HA MET A 87 10.013 -8.757 5.193 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.964 -10.797 7.221 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.807 -10.310 5.764 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.815 -7.944 6.726 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.275 -8.658 8.232 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.124 -10.914 9.378 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.370 -10.861 9.079 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.450 -11.651 7.905 1.00 0.00 H new ATOM 1270 N PRO A 88 9.712 -11.293 4.132 1.00 0.00 N ATOM 1271 CA PRO A 88 9.167 -12.513 3.456 1.00 0.00 C ATOM 1272 C PRO A 88 9.372 -13.801 4.296 1.00 0.00 C ATOM 1273 O PRO A 88 9.449 -14.904 3.759 1.00 0.00 O ATOM 1274 CB PRO A 88 10.000 -12.595 2.165 1.00 0.00 C ATOM 1275 CG PRO A 88 10.594 -11.243 2.001 1.00 0.00 C ATOM 1276 CD PRO A 88 10.869 -10.765 3.384 1.00 0.00 C ATOM 0 HA PRO A 88 8.091 -12.442 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.774 -13.359 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.377 -12.858 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.509 -11.284 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.909 -10.573 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.813 -11.152 3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.925 -9.678 3.435 1.00 0.00 H new ATOM 1284 N ALA A 89 9.461 -13.611 5.612 1.00 0.00 N ATOM 1285 CA ALA A 89 9.613 -14.645 6.631 1.00 0.00 C ATOM 1286 C ALA A 89 11.009 -15.234 6.690 1.00 0.00 C ATOM 1287 O ALA A 89 11.309 -16.068 7.549 1.00 0.00 O ATOM 1288 CB ALA A 89 8.514 -15.687 6.566 1.00 0.00 C ATOM 0 H ALA A 89 9.427 -12.676 6.017 1.00 0.00 H new ATOM 0 HA ALA A 89 9.488 -14.143 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.673 -16.433 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.547 -15.206 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.530 -16.172 5.590 1.00 0.00 H new ATOM 1294 N ALA A 90 11.854 -14.765 5.825 1.00 0.00 N ATOM 1295 CA ALA A 90 13.227 -15.138 5.815 1.00 0.00 C ATOM 1296 C ALA A 90 14.001 -14.013 6.457 1.00 0.00 C ATOM 1297 O ALA A 90 14.339 -13.048 5.768 1.00 0.00 O ATOM 1298 CB ALA A 90 13.705 -15.388 4.391 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.220 -14.065 7.682 1.00 0.00 O ATOM 0 H ALA A 90 11.600 -14.100 5.094 1.00 0.00 H new ATOM 0 HA ALA A 90 13.379 -16.065 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.757 -15.672 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.118 -16.192 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.582 -14.480 3.801 1.00 0.00 H new