USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -30:sc= 1.49 USER MOD Set 1.2: A 81 CYS SG : rot -90:sc= -3.9! USER MOD Set 1.3: A 95 CYS SG : rot -137:sc= -1.09! USER MOD Set 2.1: A 48 ASN : amide:sc= -1.58! K(o=-6.6!,f=-4.2) USER MOD Set 2.2: A 73 ASN : amide:sc= -4.98! C(o=-6.6!,f=-6.2!) USER MOD Set 3.1: A 32 CYS SG : rot -82:sc= 0.0489 USER MOD Set 3.2: A 44 CYS SG : rot -68:sc= -8.17! USER MOD Set 3.3: A 55 ASN : amide:sc= -0.986 X(o=-9.1,f=-9.1) USER MOD Set 4.1: A 52 CYS SG : rot 97:sc= -0.803 USER MOD Set 4.2: A 56 ASN : amide:sc= -3.75 K(o=-17,f=-16!) USER MOD Set 4.3: A 59 CYS SG : rot -141:sc= -7.6! USER MOD Set 4.4: A 65 CYS SG : rot 155:sc= -4.81! USER MOD Set 5.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 67 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.8!) USER MOD Set 6.1: A 8 CYS SG : rot 161:sc= 0.78 USER MOD Set 6.2: A 20 CYS SG : rot 25:sc= 0.319 USER MOD Set 6.3: A 89 TYR OH : rot -110:sc= 0.776 USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0718) USER MOD Single : A 6 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-4.9!) USER MOD Single : A 11 THR OG1 : rot 11:sc= 0.892 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.962 K(o=0.96,f=-0.024) USER MOD Single : A 27 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 2.21 (180deg=1.97) USER MOD Single : A 36 TYR OH : rot -89:sc= 0.38 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0405 (180deg=-0.247) USER MOD Single : A 42 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 43 THR OG1 : rot -138:sc= -3.36! USER MOD Single : A 47 ASN : amide:sc= -3.51! C(o=-3.5!,f=-4.1!) USER MOD Single : A 49 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.02 K(o=-1,f=-0.36) USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -177:sc= -1.01 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 1.11 (180deg=-0.0354) USER MOD Single : A 79 CYS SG : rot 100:sc= -0.968 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD Single : A 85 THR OG1 : rot 20:sc= 1.5 USER MOD Single : A 87 ASN : amide:sc= -2.32! C(o=-2.3!,f=-12!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 149:sc= 1.04 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.121 -8.467 4.116 1.00 0.00 N ATOM 27 CA ASP A 3 -11.788 -8.587 2.842 1.00 0.00 C ATOM 28 C ASP A 3 -11.643 -7.278 2.094 1.00 0.00 C ATOM 29 O ASP A 3 -12.449 -6.379 2.256 1.00 0.00 O ATOM 30 CB ASP A 3 -13.273 -8.890 3.043 1.00 0.00 C ATOM 31 CG ASP A 3 -13.529 -10.234 3.689 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.472 -10.316 4.933 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.814 -11.202 2.956 1.00 0.00 O ATOM 0 HA ASP A 3 -11.338 -9.402 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.716 -8.108 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.777 -8.857 2.077 1.00 0.00 H new ATOM 38 N PRO A 4 -10.601 -7.189 1.265 1.00 0.00 N ATOM 39 CA PRO A 4 -10.268 -6.047 0.401 1.00 0.00 C ATOM 40 C PRO A 4 -11.435 -5.270 -0.239 1.00 0.00 C ATOM 41 O PRO A 4 -11.245 -4.120 -0.595 1.00 0.00 O ATOM 42 CB PRO A 4 -9.496 -6.763 -0.701 1.00 0.00 C ATOM 43 CG PRO A 4 -8.751 -7.842 -0.013 1.00 0.00 C ATOM 44 CD PRO A 4 -9.522 -8.184 1.222 1.00 0.00 C ATOM 0 HA PRO A 4 -9.768 -5.269 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.171 -7.169 -1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.818 -6.081 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.650 -8.714 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.743 -7.514 0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.918 -9.198 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.894 -8.128 2.111 1.00 0.00 H new ATOM 52 N LYS A 5 -12.607 -5.892 -0.388 1.00 0.00 N ATOM 53 CA LYS A 5 -13.837 -5.285 -0.986 1.00 0.00 C ATOM 54 C LYS A 5 -14.203 -3.847 -0.502 1.00 0.00 C ATOM 55 O LYS A 5 -15.281 -3.346 -0.809 1.00 0.00 O ATOM 56 CB LYS A 5 -15.006 -6.220 -0.715 1.00 0.00 C ATOM 57 CG LYS A 5 -15.155 -6.514 0.756 1.00 0.00 C ATOM 58 CD LYS A 5 -16.177 -5.606 1.414 1.00 0.00 C ATOM 59 CE LYS A 5 -16.434 -5.997 2.861 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.189 -7.273 2.971 1.00 0.00 N ATOM 0 H LYS A 5 -12.749 -6.858 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.621 -5.167 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.925 -5.772 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.860 -7.153 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.454 -7.554 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.191 -6.393 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.826 -4.575 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.112 -5.647 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.483 -6.093 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.992 -5.203 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.474 -7.424 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.036 -7.228 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.586 -8.061 2.661 1.00 0.00 H new ATOM 74 N HIS A 6 -13.323 -3.225 0.261 1.00 0.00 N ATOM 75 CA HIS A 6 -13.512 -1.894 0.855 1.00 0.00 C ATOM 76 C HIS A 6 -13.667 -0.816 -0.212 1.00 0.00 C ATOM 77 O HIS A 6 -14.175 0.271 0.059 1.00 0.00 O ATOM 78 CB HIS A 6 -12.272 -1.541 1.674 1.00 0.00 C ATOM 79 CG HIS A 6 -11.934 -2.488 2.768 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.068 -2.184 3.793 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.302 -3.760 2.958 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.925 -3.241 4.564 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.672 -4.212 4.086 1.00 0.00 N ATOM 0 H HIS A 6 -12.422 -3.639 0.499 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.414 -1.929 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.419 -1.475 0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.414 -0.550 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.975 -4.328 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.299 -3.301 5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.766 -5.145 4.488 1.00 0.00 H new ATOM 92 N VAL A 7 -13.185 -1.152 -1.407 1.00 0.00 N ATOM 93 CA VAL A 7 -13.208 -0.282 -2.604 1.00 0.00 C ATOM 94 C VAL A 7 -12.557 1.069 -2.394 1.00 0.00 C ATOM 95 O VAL A 7 -11.859 1.284 -1.420 1.00 0.00 O ATOM 96 CB VAL A 7 -14.642 -0.101 -3.179 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.385 -1.419 -3.196 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.439 0.939 -2.416 1.00 0.00 C ATOM 0 H VAL A 7 -12.754 -2.059 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.603 -0.816 -3.337 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.529 0.257 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.385 -1.268 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.845 -2.133 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.461 -1.807 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.433 1.030 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.529 0.635 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.929 1.901 -2.471 1.00 0.00 H new ATOM 108 N CYS A 8 -12.680 1.906 -3.414 1.00 0.00 N ATOM 109 CA CYS A 8 -12.261 3.289 -3.353 1.00 0.00 C ATOM 110 C CYS A 8 -13.059 4.083 -4.371 1.00 0.00 C ATOM 111 O CYS A 8 -13.403 3.565 -5.433 1.00 0.00 O ATOM 112 CB CYS A 8 -10.763 3.410 -3.616 1.00 0.00 C ATOM 113 SG CYS A 8 -10.268 3.143 -5.337 1.00 0.00 S ATOM 0 H CYS A 8 -13.078 1.636 -4.314 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.448 3.687 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.434 4.402 -3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.239 2.691 -2.987 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.085 3.646 -5.531 1.00 0.00 H new ATOM 119 N VAL A 9 -13.386 5.320 -4.043 1.00 0.00 N ATOM 120 CA VAL A 9 -14.216 6.122 -4.926 1.00 0.00 C ATOM 121 C VAL A 9 -13.607 7.499 -5.166 1.00 0.00 C ATOM 122 O VAL A 9 -13.451 7.932 -6.304 1.00 0.00 O ATOM 123 CB VAL A 9 -15.642 6.297 -4.359 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.519 7.054 -5.339 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.262 4.954 -4.011 1.00 0.00 C ATOM 0 H VAL A 9 -13.095 5.787 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.271 5.584 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.569 6.880 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.519 7.167 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.091 8.039 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.578 6.501 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.265 5.108 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.317 4.336 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.649 4.453 -3.262 1.00 0.00 H new ATOM 135 N ASP A 10 -13.257 8.172 -4.081 1.00 0.00 N ATOM 136 CA ASP A 10 -12.807 9.561 -4.149 1.00 0.00 C ATOM 137 C ASP A 10 -11.288 9.650 -4.121 1.00 0.00 C ATOM 138 O ASP A 10 -10.678 10.070 -5.100 1.00 0.00 O ATOM 139 CB ASP A 10 -13.416 10.357 -2.994 1.00 0.00 C ATOM 140 CG ASP A 10 -12.835 11.747 -2.860 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.356 12.682 -3.500 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.866 11.908 -2.092 1.00 0.00 O ATOM 0 H ASP A 10 -13.275 7.781 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.143 9.989 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.493 10.433 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.259 9.813 -2.063 1.00 0.00 H new ATOM 147 N THR A 11 -10.687 9.252 -3.005 1.00 0.00 N ATOM 148 CA THR A 11 -9.228 9.208 -2.868 1.00 0.00 C ATOM 149 C THR A 11 -8.565 10.544 -3.234 1.00 0.00 C ATOM 150 O THR A 11 -7.510 10.581 -3.861 1.00 0.00 O ATOM 151 CB THR A 11 -8.628 8.044 -3.690 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.882 8.205 -5.093 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.228 6.724 -3.222 1.00 0.00 C ATOM 0 H THR A 11 -11.191 8.951 -2.171 1.00 0.00 H new ATOM 0 HA THR A 11 -9.014 9.028 -1.814 1.00 0.00 H new ATOM 0 HB THR A 11 -7.549 8.045 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.238 9.103 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.804 5.905 -3.803 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.002 6.575 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.309 6.746 -3.362 1.00 0.00 H new ATOM 161 N ARG A 12 -9.205 11.646 -2.835 1.00 0.00 N ATOM 162 CA ARG A 12 -8.630 12.975 -2.998 1.00 0.00 C ATOM 163 C ARG A 12 -7.604 13.226 -1.895 1.00 0.00 C ATOM 164 O ARG A 12 -6.703 14.053 -2.027 1.00 0.00 O ATOM 165 CB ARG A 12 -9.721 14.031 -2.945 1.00 0.00 C ATOM 166 CG ARG A 12 -10.111 14.383 -1.540 1.00 0.00 C ATOM 167 CD ARG A 12 -11.112 15.512 -1.503 1.00 0.00 C ATOM 168 NE ARG A 12 -11.319 15.980 -0.138 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.461 16.481 0.335 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.547 16.543 -0.430 1.00 0.00 N ATOM 171 NH2 ARG A 12 -12.523 16.895 1.595 1.00 0.00 N ATOM 0 H ARG A 12 -10.125 11.639 -2.395 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.138 13.034 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.379 14.929 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.598 13.670 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.534 13.506 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.222 14.666 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.760 16.335 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.060 15.177 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.530 15.920 0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.513 16.205 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.414 16.929 -0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.701 16.829 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.393 17.279 1.963 1.00 0.00 H new ATOM 185 N ASP A 13 -7.762 12.480 -0.807 1.00 0.00 N ATOM 186 CA ASP A 13 -6.889 12.580 0.365 1.00 0.00 C ATOM 187 C ASP A 13 -5.596 11.815 0.143 1.00 0.00 C ATOM 188 O ASP A 13 -4.768 11.699 1.045 1.00 0.00 O ATOM 189 CB ASP A 13 -7.592 11.996 1.592 1.00 0.00 C ATOM 190 CG ASP A 13 -8.888 12.706 1.927 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.919 12.411 1.281 1.00 0.00 O ATOM 192 OD2 ASP A 13 -8.883 13.558 2.843 1.00 0.00 O ATOM 0 H ASP A 13 -8.502 11.785 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.663 13.634 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.798 10.940 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.921 12.053 2.449 1.00 0.00 H new ATOM 197 N ILE A 14 -5.442 11.288 -1.059 1.00 0.00 N ATOM 198 CA ILE A 14 -4.357 10.380 -1.379 1.00 0.00 C ATOM 199 C ILE A 14 -3.178 11.143 -1.994 1.00 0.00 C ATOM 200 O ILE A 14 -3.245 11.623 -3.130 1.00 0.00 O ATOM 201 CB ILE A 14 -4.857 9.258 -2.326 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.614 8.154 -1.547 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.695 8.645 -3.109 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.676 8.644 -0.577 1.00 0.00 C ATOM 0 H ILE A 14 -6.068 11.479 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.006 9.914 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.552 9.715 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.086 7.485 -2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.886 7.562 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.072 7.861 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.211 9.418 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.972 8.219 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.143 7.790 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.215 9.286 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.433 9.208 -1.121 1.00 0.00 H new ATOM 216 N PRO A 15 -2.103 11.290 -1.210 1.00 0.00 N ATOM 217 CA PRO A 15 -0.896 12.025 -1.609 1.00 0.00 C ATOM 218 C PRO A 15 -0.083 11.362 -2.717 1.00 0.00 C ATOM 219 O PRO A 15 -0.408 10.278 -3.202 1.00 0.00 O ATOM 220 CB PRO A 15 -0.048 12.059 -0.342 1.00 0.00 C ATOM 221 CG PRO A 15 -0.949 11.660 0.766 1.00 0.00 C ATOM 222 CD PRO A 15 -2.008 10.795 0.165 1.00 0.00 C ATOM 0 HA PRO A 15 -1.180 12.998 -2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.798 11.377 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.360 13.055 -0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.399 11.120 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.389 12.536 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.732 9.741 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.956 10.892 0.694 1.00 0.00 H new ATOM 230 N LYS A 16 0.981 12.052 -3.103 1.00 0.00 N ATOM 231 CA LYS A 16 1.943 11.574 -4.064 1.00 0.00 C ATOM 232 C LYS A 16 2.594 10.266 -3.639 1.00 0.00 C ATOM 233 O LYS A 16 2.843 10.045 -2.452 1.00 0.00 O ATOM 234 CB LYS A 16 3.020 12.629 -4.185 1.00 0.00 C ATOM 235 CG LYS A 16 3.728 12.615 -5.500 1.00 0.00 C ATOM 236 CD LYS A 16 4.956 13.504 -5.448 1.00 0.00 C ATOM 237 CE LYS A 16 5.798 13.398 -6.702 1.00 0.00 C ATOM 238 NZ LYS A 16 7.092 14.112 -6.544 1.00 0.00 N ATOM 0 H LYS A 16 1.197 12.982 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 16 1.429 11.389 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.573 13.611 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.749 12.484 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.020 11.596 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.056 12.958 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.646 14.540 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.561 13.233 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.984 12.349 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.250 13.815 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.647 14.022 -7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.912 15.118 -6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.623 13.696 -5.752 1.00 0.00 H new ATOM 252 N ASN A 17 2.887 9.424 -4.634 1.00 0.00 N ATOM 253 CA ASN A 17 3.554 8.128 -4.435 1.00 0.00 C ATOM 254 C ASN A 17 2.749 7.232 -3.507 1.00 0.00 C ATOM 255 O ASN A 17 3.231 6.195 -3.038 1.00 0.00 O ATOM 256 CB ASN A 17 4.978 8.302 -3.889 1.00 0.00 C ATOM 257 CG ASN A 17 5.868 9.111 -4.813 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.190 8.681 -5.921 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.309 10.269 -4.346 1.00 0.00 N ATOM 0 H ASN A 17 2.667 9.622 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 17 3.619 7.651 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.932 8.792 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.424 7.320 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.939 10.840 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.019 10.590 -3.422 1.00 0.00 H new ATOM 266 N ALA A 18 1.521 7.637 -3.253 1.00 0.00 N ATOM 267 CA ALA A 18 0.640 6.904 -2.382 1.00 0.00 C ATOM 268 C ALA A 18 -0.481 6.278 -3.189 1.00 0.00 C ATOM 269 O ALA A 18 -1.052 6.909 -4.081 1.00 0.00 O ATOM 270 CB ALA A 18 0.091 7.824 -1.298 1.00 0.00 C ATOM 0 H ALA A 18 1.111 8.484 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 18 1.197 6.104 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.574 7.260 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.916 8.230 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.462 8.641 -1.760 1.00 0.00 H new ATOM 276 N GLY A 19 -0.762 5.026 -2.894 1.00 0.00 N ATOM 277 CA GLY A 19 -1.846 4.331 -3.544 1.00 0.00 C ATOM 278 C GLY A 19 -3.175 4.712 -2.930 1.00 0.00 C ATOM 279 O GLY A 19 -3.217 5.198 -1.799 1.00 0.00 O ATOM 0 H GLY A 19 -0.252 4.471 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.850 4.569 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.696 3.255 -3.459 1.00 0.00 H new ATOM 283 N CYS A 20 -4.254 4.508 -3.656 1.00 0.00 N ATOM 284 CA CYS A 20 -5.548 4.947 -3.193 1.00 0.00 C ATOM 285 C CYS A 20 -6.409 3.771 -2.731 1.00 0.00 C ATOM 286 O CYS A 20 -6.495 2.745 -3.411 1.00 0.00 O ATOM 287 CB CYS A 20 -6.240 5.717 -4.309 1.00 0.00 C ATOM 288 SG CYS A 20 -6.689 4.711 -5.744 1.00 0.00 S ATOM 0 H CYS A 20 -4.259 4.043 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.409 5.598 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.142 6.181 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.585 6.524 -4.637 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.818 3.470 -5.380 1.00 0.00 H new ATOM 294 N PHE A 21 -7.037 3.926 -1.569 1.00 0.00 N ATOM 295 CA PHE A 21 -7.837 2.863 -0.974 1.00 0.00 C ATOM 296 C PHE A 21 -8.954 3.461 -0.117 1.00 0.00 C ATOM 297 O PHE A 21 -8.873 4.612 0.273 1.00 0.00 O ATOM 298 CB PHE A 21 -6.916 1.978 -0.131 1.00 0.00 C ATOM 299 CG PHE A 21 -7.581 0.813 0.535 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.222 -0.163 -0.207 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.546 0.691 1.912 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.821 -1.240 0.417 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.141 -0.385 2.540 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.776 -1.350 1.790 1.00 0.00 C ATOM 0 H PHE A 21 -7.006 4.784 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.304 2.261 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.116 1.602 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.448 2.595 0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.254 -0.082 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.048 1.446 2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.324 -1.994 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.109 -0.470 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.239 -2.194 2.279 1.00 0.00 H new ATOM 314 N ARG A 22 -10.038 2.726 0.074 1.00 0.00 N ATOM 315 CA ARG A 22 -11.034 3.073 1.080 1.00 0.00 C ATOM 316 C ARG A 22 -11.076 1.959 2.097 1.00 0.00 C ATOM 317 O ARG A 22 -10.858 0.817 1.741 1.00 0.00 O ATOM 318 CB ARG A 22 -12.428 3.222 0.478 1.00 0.00 C ATOM 319 CG ARG A 22 -13.262 4.265 1.205 1.00 0.00 C ATOM 320 CD ARG A 22 -14.039 5.160 0.257 1.00 0.00 C ATOM 321 NE ARG A 22 -14.919 6.077 0.980 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.187 6.317 0.647 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.773 5.601 -0.307 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.879 7.240 1.306 1.00 0.00 N ATOM 0 H ARG A 22 -10.253 1.881 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.754 4.027 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.340 3.498 -0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.941 2.261 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.958 3.763 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.608 4.879 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.343 5.731 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.631 4.545 -0.421 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.538 6.564 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.252 4.866 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.744 5.786 -0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.440 7.762 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.850 7.426 1.054 1.00 0.00 H new ATOM 338 N ASP A 23 -11.317 2.267 3.356 1.00 0.00 N ATOM 339 CA ASP A 23 -11.442 1.208 4.349 1.00 0.00 C ATOM 340 C ASP A 23 -12.915 0.900 4.613 1.00 0.00 C ATOM 341 O ASP A 23 -13.784 1.653 4.174 1.00 0.00 O ATOM 342 CB ASP A 23 -10.726 1.596 5.646 1.00 0.00 C ATOM 343 CG ASP A 23 -10.815 0.510 6.694 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.161 -0.540 6.521 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.568 0.686 7.672 1.00 0.00 O ATOM 0 H ASP A 23 -11.429 3.216 3.714 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.967 0.308 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.678 1.807 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.162 2.514 6.039 1.00 0.00 H new ATOM 350 N ASP A 24 -13.197 -0.193 5.322 1.00 0.00 N ATOM 351 CA ASP A 24 -14.574 -0.592 5.629 1.00 0.00 C ATOM 352 C ASP A 24 -15.300 0.514 6.393 1.00 0.00 C ATOM 353 O ASP A 24 -16.522 0.652 6.309 1.00 0.00 O ATOM 354 CB ASP A 24 -14.581 -1.881 6.453 1.00 0.00 C ATOM 355 CG ASP A 24 -15.983 -2.367 6.783 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.582 -3.082 5.950 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.481 -2.059 7.887 1.00 0.00 O ATOM 0 H ASP A 24 -12.487 -0.822 5.697 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.095 -0.766 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.052 -2.660 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.032 -1.716 7.380 1.00 0.00 H new ATOM 362 N ASP A 25 -14.525 1.312 7.119 1.00 0.00 N ATOM 363 CA ASP A 25 -15.059 2.441 7.875 1.00 0.00 C ATOM 364 C ASP A 25 -15.641 3.498 6.938 1.00 0.00 C ATOM 365 O ASP A 25 -16.557 4.232 7.306 1.00 0.00 O ATOM 366 CB ASP A 25 -13.949 3.064 8.735 1.00 0.00 C ATOM 367 CG ASP A 25 -14.378 4.352 9.414 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.015 4.280 10.486 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.071 5.440 8.883 1.00 0.00 O ATOM 0 H ASP A 25 -13.515 1.197 7.201 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.858 2.075 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.638 2.346 9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.079 3.262 8.108 1.00 0.00 H new ATOM 374 N GLY A 26 -15.130 3.548 5.719 1.00 0.00 N ATOM 375 CA GLY A 26 -15.546 4.571 4.784 1.00 0.00 C ATOM 376 C GLY A 26 -14.469 5.611 4.603 1.00 0.00 C ATOM 377 O GLY A 26 -14.517 6.428 3.683 1.00 0.00 O ATOM 0 H GLY A 26 -14.432 2.897 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.781 4.115 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.459 5.047 5.143 1.00 0.00 H new ATOM 381 N THR A 27 -13.486 5.577 5.489 1.00 0.00 N ATOM 382 CA THR A 27 -12.338 6.451 5.381 1.00 0.00 C ATOM 383 C THR A 27 -11.459 6.028 4.218 1.00 0.00 C ATOM 384 O THR A 27 -11.080 4.864 4.106 1.00 0.00 O ATOM 385 CB THR A 27 -11.512 6.466 6.685 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.307 6.980 7.762 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.252 7.313 6.535 1.00 0.00 C ATOM 0 H THR A 27 -13.464 4.949 6.293 1.00 0.00 H new ATOM 0 HA THR A 27 -12.709 7.461 5.204 1.00 0.00 H new ATOM 0 HB THR A 27 -11.213 5.441 6.903 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.900 6.275 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.693 7.303 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.632 6.904 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.530 8.338 6.290 1.00 0.00 H new ATOM 395 N LYS A 28 -11.166 6.968 3.332 1.00 0.00 N ATOM 396 CA LYS A 28 -10.274 6.688 2.227 1.00 0.00 C ATOM 397 C LYS A 28 -8.860 6.721 2.746 1.00 0.00 C ATOM 398 O LYS A 28 -8.404 7.735 3.279 1.00 0.00 O ATOM 399 CB LYS A 28 -10.402 7.709 1.101 1.00 0.00 C ATOM 400 CG LYS A 28 -11.787 8.294 0.938 1.00 0.00 C ATOM 401 CD LYS A 28 -11.706 9.649 0.271 1.00 0.00 C ATOM 402 CE LYS A 28 -12.744 10.613 0.819 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.416 12.018 0.465 1.00 0.00 N ATOM 0 H LYS A 28 -11.530 7.920 3.359 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.537 5.712 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.698 8.521 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.109 7.236 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.405 7.623 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.267 8.388 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.710 10.067 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.849 9.534 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.727 10.356 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.800 10.512 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.177 12.646 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.521 12.291 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.320 12.103 -0.567 1.00 0.00 H new ATOM 417 N GLU A 29 -8.181 5.621 2.606 1.00 0.00 N ATOM 418 CA GLU A 29 -6.834 5.514 3.069 1.00 0.00 C ATOM 419 C GLU A 29 -5.862 5.690 1.940 1.00 0.00 C ATOM 420 O GLU A 29 -6.218 5.653 0.760 1.00 0.00 O ATOM 421 CB GLU A 29 -6.578 4.167 3.703 1.00 0.00 C ATOM 422 CG GLU A 29 -7.394 3.914 4.946 1.00 0.00 C ATOM 423 CD GLU A 29 -6.971 2.644 5.656 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.223 1.545 5.129 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.349 2.745 6.734 1.00 0.00 O ATOM 0 H GLU A 29 -8.547 4.775 2.168 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.693 6.302 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.793 3.386 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.520 4.088 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.291 4.760 5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.449 3.846 4.679 1.00 0.00 H new ATOM 432 N TRP A 30 -4.634 5.873 2.329 1.00 0.00 N ATOM 433 CA TRP A 30 -3.536 5.939 1.419 1.00 0.00 C ATOM 434 C TRP A 30 -2.330 5.368 2.111 1.00 0.00 C ATOM 435 O TRP A 30 -2.183 5.477 3.332 1.00 0.00 O ATOM 436 CB TRP A 30 -3.269 7.371 0.994 1.00 0.00 C ATOM 437 CG TRP A 30 -3.120 8.287 2.156 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.126 8.803 2.912 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.899 8.775 2.711 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.608 9.620 3.882 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.242 9.616 3.782 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.546 8.591 2.399 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.282 10.276 4.539 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.400 9.244 3.153 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.029 10.076 4.213 1.00 0.00 C ATOM 0 H TRP A 30 -4.366 5.982 3.307 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.766 5.369 0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.363 7.405 0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.087 7.719 0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.177 8.599 2.769 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.151 10.146 4.567 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.252 7.949 1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.563 10.924 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.447 9.112 2.923 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.797 10.572 4.788 1.00 0.00 H new ATOM 456 N ARG A 31 -1.498 4.744 1.339 1.00 0.00 N ATOM 457 CA ARG A 31 -0.305 4.117 1.831 1.00 0.00 C ATOM 458 C ARG A 31 0.792 4.408 0.874 1.00 0.00 C ATOM 459 O ARG A 31 0.555 4.883 -0.233 1.00 0.00 O ATOM 460 CB ARG A 31 -0.480 2.615 1.995 1.00 0.00 C ATOM 461 CG ARG A 31 -1.608 2.277 2.930 1.00 0.00 C ATOM 462 CD ARG A 31 -1.899 0.801 2.956 1.00 0.00 C ATOM 463 NE ARG A 31 -3.054 0.490 3.792 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.792 -0.597 3.630 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.445 -1.481 2.710 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.871 -0.804 4.378 1.00 0.00 N ATOM 0 H ARG A 31 -1.628 4.652 0.331 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.072 4.515 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.669 2.164 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.446 2.181 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.358 2.614 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.504 2.817 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.080 0.448 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.026 0.265 3.329 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.304 1.141 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.617 -1.321 2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.005 -2.323 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.139 -0.121 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.431 -1.646 4.243 1.00 0.00 H new ATOM 480 N CYS A 32 1.970 4.072 1.268 1.00 0.00 N ATOM 481 CA CYS A 32 3.123 4.445 0.517 1.00 0.00 C ATOM 482 C CYS A 32 3.612 3.213 -0.164 1.00 0.00 C ATOM 483 O CYS A 32 3.799 2.181 0.464 1.00 0.00 O ATOM 484 CB CYS A 32 4.190 5.021 1.443 1.00 0.00 C ATOM 485 SG CYS A 32 3.757 4.973 3.202 1.00 0.00 S ATOM 0 H CYS A 32 2.164 3.535 2.113 1.00 0.00 H new ATOM 0 HA CYS A 32 2.886 5.216 -0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.119 4.470 1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.383 6.055 1.157 1.00 0.00 H new ATOM 0 HG CYS A 32 2.995 5.986 3.489 1.00 0.00 H new ATOM 491 N LEU A 33 3.705 3.356 -1.479 1.00 0.00 N ATOM 492 CA LEU A 33 3.961 2.280 -2.427 1.00 0.00 C ATOM 493 C LEU A 33 5.025 1.290 -1.977 1.00 0.00 C ATOM 494 O LEU A 33 5.705 1.495 -0.991 1.00 0.00 O ATOM 495 CB LEU A 33 4.344 2.920 -3.748 1.00 0.00 C ATOM 496 CG LEU A 33 3.263 2.861 -4.820 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.876 3.012 -4.202 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.494 3.957 -5.837 1.00 0.00 C ATOM 0 H LEU A 33 3.600 4.263 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 33 3.053 1.684 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.603 3.964 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.240 2.430 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 33 3.316 1.890 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.121 2.967 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.706 2.206 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.809 3.971 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.719 3.912 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.458 4.927 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.471 3.823 -6.301 1.00 0.00 H new ATOM 510 N LEU A 34 5.169 0.211 -2.722 1.00 0.00 N ATOM 511 CA LEU A 34 6.083 -0.849 -2.336 1.00 0.00 C ATOM 512 C LEU A 34 7.501 -0.327 -2.183 1.00 0.00 C ATOM 513 O LEU A 34 8.121 0.135 -3.142 1.00 0.00 O ATOM 514 CB LEU A 34 6.031 -1.987 -3.341 1.00 0.00 C ATOM 515 CG LEU A 34 4.656 -2.628 -3.482 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.730 -3.816 -4.407 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.109 -3.035 -2.123 1.00 0.00 C ATOM 0 H LEU A 34 4.668 0.045 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 34 5.766 -1.230 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.347 -1.613 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.749 -2.752 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 34 3.973 -1.895 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.742 -4.266 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.075 -3.492 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.426 -4.550 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.127 -3.490 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.785 -3.753 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.022 -2.154 -1.487 1.00 0.00 H new ATOM 529 N GLY A 35 7.985 -0.383 -0.956 1.00 0.00 N ATOM 530 CA GLY A 35 9.308 0.121 -0.649 1.00 0.00 C ATOM 531 C GLY A 35 9.315 1.607 -0.339 1.00 0.00 C ATOM 532 O GLY A 35 10.367 2.193 -0.135 1.00 0.00 O ATOM 0 H GLY A 35 7.482 -0.772 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.711 -0.425 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.970 -0.072 -1.493 1.00 0.00 H new ATOM 536 N TYR A 36 8.144 2.218 -0.314 1.00 0.00 N ATOM 537 CA TYR A 36 8.017 3.638 -0.030 1.00 0.00 C ATOM 538 C TYR A 36 7.761 3.904 1.452 1.00 0.00 C ATOM 539 O TYR A 36 7.640 2.977 2.256 1.00 0.00 O ATOM 540 CB TYR A 36 6.876 4.226 -0.853 1.00 0.00 C ATOM 541 CG TYR A 36 7.174 4.357 -2.327 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.580 3.272 -3.087 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.051 5.578 -2.951 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.851 3.408 -4.432 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.322 5.730 -4.287 1.00 0.00 C ATOM 546 CZ TYR A 36 7.722 4.640 -5.030 1.00 0.00 C ATOM 547 OH TYR A 36 7.997 4.784 -6.372 1.00 0.00 O ATOM 0 H TYR A 36 7.257 1.747 -0.489 1.00 0.00 H new ATOM 0 HA TYR A 36 8.961 4.113 -0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 36 5.993 3.599 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.627 5.210 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.686 2.305 -2.619 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.734 6.435 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.163 2.552 -5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.223 6.699 -4.754 1.00 0.00 H new ATOM 0 HH TYR A 36 8.945 5.000 -6.490 1.00 0.00 H new ATOM 557 N LYS A 37 7.677 5.186 1.793 1.00 0.00 N ATOM 558 CA LYS A 37 7.466 5.628 3.164 1.00 0.00 C ATOM 559 C LYS A 37 6.962 7.069 3.154 1.00 0.00 C ATOM 560 O LYS A 37 7.024 7.731 2.126 1.00 0.00 O ATOM 561 CB LYS A 37 8.784 5.548 3.933 1.00 0.00 C ATOM 562 CG LYS A 37 9.800 6.601 3.511 1.00 0.00 C ATOM 563 CD LYS A 37 11.086 6.481 4.308 1.00 0.00 C ATOM 564 CE LYS A 37 12.076 7.576 3.955 1.00 0.00 C ATOM 565 NZ LYS A 37 13.292 7.511 4.805 1.00 0.00 N ATOM 0 H LYS A 37 7.754 5.950 1.122 1.00 0.00 H new ATOM 0 HA LYS A 37 6.729 4.988 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.581 5.657 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.218 4.558 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.017 6.494 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.375 7.595 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.858 6.527 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.539 5.508 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.360 7.486 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.600 8.549 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.945 8.274 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.024 7.622 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.760 6.592 4.672 1.00 0.00 H new ATOM 579 N LYS A 38 6.452 7.552 4.282 1.00 0.00 N ATOM 580 CA LYS A 38 6.054 8.947 4.393 1.00 0.00 C ATOM 581 C LYS A 38 7.264 9.850 4.573 1.00 0.00 C ATOM 582 O LYS A 38 8.125 9.589 5.415 1.00 0.00 O ATOM 583 CB LYS A 38 5.084 9.142 5.538 1.00 0.00 C ATOM 584 CG LYS A 38 3.821 8.329 5.376 1.00 0.00 C ATOM 585 CD LYS A 38 2.667 9.002 6.060 1.00 0.00 C ATOM 586 CE LYS A 38 1.560 8.016 6.404 1.00 0.00 C ATOM 587 NZ LYS A 38 1.952 7.080 7.491 1.00 0.00 N ATOM 0 H LYS A 38 6.306 7.000 5.127 1.00 0.00 H new ATOM 0 HA LYS A 38 5.555 9.222 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.572 8.866 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.825 10.198 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.598 8.201 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.967 7.333 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.017 9.487 6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.269 9.785 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.668 8.566 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.296 7.445 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.100 6.644 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.570 6.338 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.461 7.603 8.232 1.00 0.00 H new ATOM 601 N GLY A 39 7.336 10.897 3.764 1.00 0.00 N ATOM 602 CA GLY A 39 8.470 11.797 3.822 1.00 0.00 C ATOM 603 C GLY A 39 8.074 13.258 3.750 1.00 0.00 C ATOM 604 O GLY A 39 8.482 14.061 4.588 1.00 0.00 O ATOM 0 H GLY A 39 6.630 11.139 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.019 11.621 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.149 11.570 3.000 1.00 0.00 H new ATOM 608 N GLU A 40 7.268 13.593 2.751 1.00 0.00 N ATOM 609 CA GLU A 40 6.910 14.983 2.468 1.00 0.00 C ATOM 610 C GLU A 40 6.121 15.607 3.621 1.00 0.00 C ATOM 611 O GLU A 40 6.396 16.727 4.049 1.00 0.00 O ATOM 612 CB GLU A 40 6.070 15.055 1.190 1.00 0.00 C ATOM 613 CG GLU A 40 6.558 14.153 0.066 1.00 0.00 C ATOM 614 CD GLU A 40 7.842 14.651 -0.566 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.889 14.630 0.110 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.804 15.079 -1.739 1.00 0.00 O ATOM 0 H GLU A 40 6.845 12.916 2.116 1.00 0.00 H new ATOM 0 HA GLU A 40 7.837 15.543 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.040 14.790 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.059 16.085 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.715 13.147 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.785 14.082 -0.699 1.00 0.00 H new ATOM 623 N GLY A 41 5.155 14.857 4.126 1.00 0.00 N ATOM 624 CA GLY A 41 4.248 15.364 5.138 1.00 0.00 C ATOM 625 C GLY A 41 2.824 15.019 4.772 1.00 0.00 C ATOM 626 O GLY A 41 2.177 15.757 4.023 1.00 0.00 O ATOM 0 H GLY A 41 4.980 13.891 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.497 14.936 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.358 16.445 5.228 1.00 0.00 H new ATOM 630 N ASN A 42 2.343 13.889 5.292 1.00 0.00 N ATOM 631 CA ASN A 42 1.132 13.259 4.783 1.00 0.00 C ATOM 632 C ASN A 42 1.322 12.983 3.308 1.00 0.00 C ATOM 633 O ASN A 42 0.610 13.520 2.464 1.00 0.00 O ATOM 634 CB ASN A 42 -0.100 14.133 5.001 1.00 0.00 C ATOM 635 CG ASN A 42 -0.649 14.046 6.411 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.218 14.770 7.308 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.629 13.177 6.611 1.00 0.00 N ATOM 0 H ASN A 42 2.779 13.392 6.069 1.00 0.00 H new ATOM 0 HA ASN A 42 0.963 12.330 5.328 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.154 15.170 4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.877 13.837 4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.054 13.091 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.959 12.594 5.842 1.00 0.00 H new ATOM 644 N THR A 43 2.323 12.169 3.003 1.00 0.00 N ATOM 645 CA THR A 43 2.719 11.913 1.630 1.00 0.00 C ATOM 646 C THR A 43 3.603 10.683 1.580 1.00 0.00 C ATOM 647 O THR A 43 3.890 10.087 2.615 1.00 0.00 O ATOM 648 CB THR A 43 3.497 13.092 1.035 1.00 0.00 C ATOM 649 OG1 THR A 43 3.244 14.290 1.774 1.00 0.00 O ATOM 650 CG2 THR A 43 3.113 13.316 -0.413 1.00 0.00 C ATOM 0 H THR A 43 2.879 11.671 3.698 1.00 0.00 H new ATOM 0 HA THR A 43 1.810 11.764 1.047 1.00 0.00 H new ATOM 0 HB THR A 43 4.558 12.847 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.129 15.039 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.678 14.158 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.338 12.420 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.046 13.532 -0.477 1.00 0.00 H new ATOM 658 N CYS A 44 4.046 10.309 0.393 1.00 0.00 N ATOM 659 CA CYS A 44 4.880 9.135 0.244 1.00 0.00 C ATOM 660 C CYS A 44 6.064 9.409 -0.674 1.00 0.00 C ATOM 661 O CYS A 44 5.978 10.209 -1.604 1.00 0.00 O ATOM 662 CB CYS A 44 4.034 7.984 -0.278 1.00 0.00 C ATOM 663 SG CYS A 44 2.580 7.662 0.747 1.00 0.00 S ATOM 0 H CYS A 44 3.842 10.800 -0.477 1.00 0.00 H new ATOM 0 HA CYS A 44 5.290 8.865 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.713 8.207 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.645 7.083 -0.327 1.00 0.00 H new ATOM 0 HG CYS A 44 2.957 7.197 1.901 1.00 0.00 H new ATOM 669 N VAL A 45 7.165 8.746 -0.368 1.00 0.00 N ATOM 670 CA VAL A 45 8.412 8.863 -1.094 1.00 0.00 C ATOM 671 C VAL A 45 9.107 7.515 -1.071 1.00 0.00 C ATOM 672 O VAL A 45 8.774 6.662 -0.251 1.00 0.00 O ATOM 673 CB VAL A 45 9.358 9.905 -0.459 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.795 11.311 -0.592 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.628 9.572 1.004 1.00 0.00 C ATOM 0 H VAL A 45 7.215 8.094 0.415 1.00 0.00 H new ATOM 0 HA VAL A 45 8.183 9.186 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 45 10.304 9.868 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.483 12.023 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.668 11.554 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.830 11.366 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.297 10.320 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.688 9.569 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.092 8.588 1.074 1.00 0.00 H new ATOM 685 N GLU A 46 10.060 7.320 -1.958 1.00 0.00 N ATOM 686 CA GLU A 46 10.778 6.062 -2.040 1.00 0.00 C ATOM 687 C GLU A 46 11.696 5.865 -0.841 1.00 0.00 C ATOM 688 O GLU A 46 12.617 6.651 -0.614 1.00 0.00 O ATOM 689 CB GLU A 46 11.579 6.022 -3.333 1.00 0.00 C ATOM 690 CG GLU A 46 11.246 4.823 -4.193 1.00 0.00 C ATOM 691 CD GLU A 46 11.724 4.968 -5.619 1.00 0.00 C ATOM 692 OE1 GLU A 46 10.953 5.491 -6.452 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.860 4.555 -5.924 1.00 0.00 O ATOM 0 H GLU A 46 10.358 8.020 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 46 10.053 5.248 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.390 6.934 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.643 6.009 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.695 3.932 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.167 4.670 -4.191 1.00 0.00 H new ATOM 700 N ASN A 47 11.434 4.814 -0.076 1.00 0.00 N ATOM 701 CA ASN A 47 12.255 4.476 1.076 1.00 0.00 C ATOM 702 C ASN A 47 13.362 3.528 0.649 1.00 0.00 C ATOM 703 O ASN A 47 13.116 2.390 0.257 1.00 0.00 O ATOM 704 CB ASN A 47 11.397 3.863 2.190 1.00 0.00 C ATOM 705 CG ASN A 47 12.212 3.430 3.399 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.302 3.943 3.655 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.673 2.502 4.169 1.00 0.00 N ATOM 0 H ASN A 47 10.653 4.177 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 47 12.708 5.384 1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.648 4.589 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.859 3.002 1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.162 2.188 5.007 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.768 2.100 3.925 1.00 0.00 H new ATOM 714 N ASN A 48 14.584 4.013 0.731 1.00 0.00 N ATOM 715 CA ASN A 48 15.741 3.319 0.212 1.00 0.00 C ATOM 716 C ASN A 48 16.134 2.128 1.083 1.00 0.00 C ATOM 717 O ASN A 48 17.145 1.470 0.835 1.00 0.00 O ATOM 718 CB ASN A 48 16.902 4.293 0.138 1.00 0.00 C ATOM 719 CG ASN A 48 16.572 5.604 -0.560 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.147 6.644 -0.232 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.664 5.571 -1.523 1.00 0.00 N ATOM 0 H ASN A 48 14.802 4.910 1.165 1.00 0.00 H new ATOM 0 HA ASN A 48 15.491 2.935 -0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.245 4.509 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.730 3.815 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.419 6.426 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.210 4.691 -1.766 1.00 0.00 H new ATOM 728 N ASN A 49 15.327 1.850 2.089 1.00 0.00 N ATOM 729 CA ASN A 49 15.592 0.774 3.022 1.00 0.00 C ATOM 730 C ASN A 49 14.279 0.361 3.663 1.00 0.00 C ATOM 731 O ASN A 49 14.012 0.657 4.829 1.00 0.00 O ATOM 732 CB ASN A 49 16.594 1.216 4.088 1.00 0.00 C ATOM 733 CG ASN A 49 17.155 0.044 4.873 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.292 -1.060 4.348 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.482 0.275 6.134 1.00 0.00 N ATOM 0 H ASN A 49 14.468 2.365 2.282 1.00 0.00 H new ATOM 0 HA ASN A 49 16.029 -0.073 2.492 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.412 1.757 3.612 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.109 1.911 4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.863 -0.477 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.353 1.205 6.532 1.00 0.00 H new ATOM 742 N PRO A 50 13.433 -0.315 2.885 1.00 0.00 N ATOM 743 CA PRO A 50 12.088 -0.659 3.283 1.00 0.00 C ATOM 744 C PRO A 50 12.063 -1.931 4.109 1.00 0.00 C ATOM 745 O PRO A 50 12.682 -2.931 3.751 1.00 0.00 O ATOM 746 CB PRO A 50 11.359 -0.841 1.948 1.00 0.00 C ATOM 747 CG PRO A 50 12.415 -0.909 0.886 1.00 0.00 C ATOM 748 CD PRO A 50 13.742 -0.849 1.568 1.00 0.00 C ATOM 0 HA PRO A 50 11.626 0.098 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.759 -1.751 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.677 -0.011 1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.321 -1.830 0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.307 -0.082 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.202 -1.835 1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.439 -0.207 1.030 1.00 0.00 H new ATOM 756 N THR A 51 11.367 -1.871 5.224 1.00 0.00 N ATOM 757 CA THR A 51 11.320 -2.971 6.158 1.00 0.00 C ATOM 758 C THR A 51 9.879 -3.432 6.343 1.00 0.00 C ATOM 759 O THR A 51 8.945 -2.640 6.208 1.00 0.00 O ATOM 760 CB THR A 51 11.944 -2.565 7.512 1.00 0.00 C ATOM 761 OG1 THR A 51 12.218 -3.725 8.305 1.00 0.00 O ATOM 762 CG2 THR A 51 11.032 -1.623 8.278 1.00 0.00 C ATOM 0 H THR A 51 10.819 -1.058 5.507 1.00 0.00 H new ATOM 0 HA THR A 51 11.904 -3.799 5.756 1.00 0.00 H new ATOM 0 HB THR A 51 12.879 -2.045 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.614 -3.452 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.499 -1.356 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.863 -0.721 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.078 -2.115 8.469 1.00 0.00 H new ATOM 770 N CYS A 52 9.700 -4.707 6.636 1.00 0.00 N ATOM 771 CA CYS A 52 8.374 -5.257 6.853 1.00 0.00 C ATOM 772 C CYS A 52 7.918 -4.948 8.280 1.00 0.00 C ATOM 773 O CYS A 52 8.709 -4.453 9.088 1.00 0.00 O ATOM 774 CB CYS A 52 8.400 -6.769 6.600 1.00 0.00 C ATOM 775 SG CYS A 52 6.808 -7.607 6.821 1.00 0.00 S ATOM 0 H CYS A 52 10.458 -5.383 6.729 1.00 0.00 H new ATOM 0 HA CYS A 52 7.666 -4.803 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.749 -6.947 5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.129 -7.223 7.271 1.00 0.00 H new ATOM 0 HG CYS A 52 6.229 -7.751 5.666 1.00 0.00 H new ATOM 781 N ASP A 53 6.633 -5.201 8.561 1.00 0.00 N ATOM 782 CA ASP A 53 5.995 -4.862 9.846 1.00 0.00 C ATOM 783 C ASP A 53 5.660 -3.377 9.906 1.00 0.00 C ATOM 784 O ASP A 53 4.575 -2.986 10.334 1.00 0.00 O ATOM 785 CB ASP A 53 6.869 -5.244 11.048 1.00 0.00 C ATOM 786 CG ASP A 53 6.884 -6.735 11.319 1.00 0.00 C ATOM 787 OD1 ASP A 53 5.807 -7.311 11.578 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.974 -7.339 11.271 1.00 0.00 O ATOM 0 H ASP A 53 6.000 -5.650 7.900 1.00 0.00 H new ATOM 0 HA ASP A 53 5.076 -5.445 9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.889 -4.902 10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.507 -4.723 11.934 1.00 0.00 H new ATOM 793 N ILE A 54 6.595 -2.568 9.450 1.00 0.00 N ATOM 794 CA ILE A 54 6.448 -1.121 9.437 1.00 0.00 C ATOM 795 C ILE A 54 6.027 -0.678 8.064 1.00 0.00 C ATOM 796 O ILE A 54 6.813 -0.744 7.117 1.00 0.00 O ATOM 797 CB ILE A 54 7.771 -0.444 9.831 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.203 -0.956 11.207 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.622 1.072 9.827 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.611 -0.575 11.597 1.00 0.00 C ATOM 0 H ILE A 54 7.485 -2.895 9.075 1.00 0.00 H new ATOM 0 HA ILE A 54 5.687 -0.831 10.161 1.00 0.00 H new ATOM 0 HB ILE A 54 8.541 -0.695 9.102 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.513 -0.571 11.958 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.116 -2.042 11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.569 1.531 10.109 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.339 1.407 8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.851 1.364 10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.836 -0.977 12.585 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.313 -0.983 10.870 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.701 0.511 11.618 1.00 0.00 H new ATOM 812 N ASN A 55 4.755 -0.290 7.952 1.00 0.00 N ATOM 813 CA ASN A 55 4.166 0.080 6.670 1.00 0.00 C ATOM 814 C ASN A 55 4.061 -1.161 5.796 1.00 0.00 C ATOM 815 O ASN A 55 3.685 -1.096 4.630 1.00 0.00 O ATOM 816 CB ASN A 55 5.028 1.152 6.000 1.00 0.00 C ATOM 817 CG ASN A 55 4.388 1.786 4.777 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.171 1.944 4.698 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.219 2.157 3.817 1.00 0.00 N ATOM 0 H ASN A 55 4.112 -0.225 8.741 1.00 0.00 H new ATOM 0 HA ASN A 55 3.167 0.490 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.249 1.933 6.728 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.980 0.708 5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.857 2.593 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.222 2.007 3.925 1.00 0.00 H new ATOM 826 N ASN A 56 4.393 -2.300 6.405 1.00 0.00 N ATOM 827 CA ASN A 56 4.480 -3.580 5.717 1.00 0.00 C ATOM 828 C ASN A 56 5.464 -3.474 4.552 1.00 0.00 C ATOM 829 O ASN A 56 5.362 -4.200 3.576 1.00 0.00 O ATOM 830 CB ASN A 56 3.101 -4.020 5.209 1.00 0.00 C ATOM 831 CG ASN A 56 2.946 -5.526 5.125 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.518 -6.271 5.920 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.166 -5.980 4.158 1.00 0.00 N ATOM 0 H ASN A 56 4.610 -2.356 7.400 1.00 0.00 H new ATOM 0 HA ASN A 56 4.837 -4.331 6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.333 -3.619 5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.930 -3.588 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.020 -6.984 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.711 -5.326 3.521 1.00 0.00 H new ATOM 840 N GLY A 57 6.420 -2.554 4.665 1.00 0.00 N ATOM 841 CA GLY A 57 7.346 -2.306 3.579 1.00 0.00 C ATOM 842 C GLY A 57 6.679 -1.601 2.416 1.00 0.00 C ATOM 843 O GLY A 57 7.123 -1.708 1.278 1.00 0.00 O ATOM 0 H GLY A 57 6.567 -1.976 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.177 -1.701 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.766 -3.252 3.237 1.00 0.00 H new ATOM 847 N GLY A 58 5.607 -0.885 2.710 1.00 0.00 N ATOM 848 CA GLY A 58 4.851 -0.214 1.677 1.00 0.00 C ATOM 849 C GLY A 58 3.786 -1.119 1.110 1.00 0.00 C ATOM 850 O GLY A 58 3.341 -0.953 -0.020 1.00 0.00 O ATOM 0 H GLY A 58 5.245 -0.756 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.389 0.685 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.522 0.106 0.880 1.00 0.00 H new ATOM 854 N CYS A 59 3.382 -2.076 1.920 1.00 0.00 N ATOM 855 CA CYS A 59 2.491 -3.143 1.499 1.00 0.00 C ATOM 856 C CYS A 59 1.186 -3.114 2.300 1.00 0.00 C ATOM 857 O CYS A 59 1.014 -2.299 3.210 1.00 0.00 O ATOM 858 CB CYS A 59 3.225 -4.465 1.692 1.00 0.00 C ATOM 859 SG CYS A 59 2.379 -5.932 1.098 1.00 0.00 S ATOM 0 H CYS A 59 3.664 -2.138 2.898 1.00 0.00 H new ATOM 0 HA CYS A 59 2.220 -3.016 0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.190 -4.398 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.428 -4.593 2.755 1.00 0.00 H new ATOM 0 HG CYS A 59 2.570 -6.911 1.932 1.00 0.00 H new ATOM 865 N ASP A 60 0.284 -4.017 1.956 1.00 0.00 N ATOM 866 CA ASP A 60 -1.015 -4.129 2.614 1.00 0.00 C ATOM 867 C ASP A 60 -0.961 -5.252 3.631 1.00 0.00 C ATOM 868 O ASP A 60 -0.357 -6.282 3.383 1.00 0.00 O ATOM 869 CB ASP A 60 -2.097 -4.462 1.578 1.00 0.00 C ATOM 870 CG ASP A 60 -3.474 -4.669 2.192 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.710 -5.733 2.781 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.325 -3.765 2.087 1.00 0.00 O ATOM 0 H ASP A 60 0.428 -4.698 1.210 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.251 -3.183 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.150 -3.656 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.808 -5.364 1.038 1.00 0.00 H new ATOM 877 N PRO A 61 -1.577 -5.037 4.808 1.00 0.00 N ATOM 878 CA PRO A 61 -1.580 -5.996 5.910 1.00 0.00 C ATOM 879 C PRO A 61 -1.990 -7.413 5.497 1.00 0.00 C ATOM 880 O PRO A 61 -1.591 -8.386 6.138 1.00 0.00 O ATOM 881 CB PRO A 61 -2.609 -5.423 6.892 1.00 0.00 C ATOM 882 CG PRO A 61 -3.273 -4.293 6.200 1.00 0.00 C ATOM 883 CD PRO A 61 -2.315 -3.822 5.165 1.00 0.00 C ATOM 0 HA PRO A 61 -0.577 -6.109 6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.336 -6.183 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.124 -5.085 7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.211 -4.611 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.513 -3.494 6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.831 -3.397 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.652 -3.049 5.553 1.00 0.00 H new ATOM 891 N THR A 62 -2.804 -7.530 4.448 1.00 0.00 N ATOM 892 CA THR A 62 -3.193 -8.837 3.933 1.00 0.00 C ATOM 893 C THR A 62 -2.166 -9.327 2.923 1.00 0.00 C ATOM 894 O THR A 62 -1.963 -10.537 2.762 1.00 0.00 O ATOM 895 CB THR A 62 -4.588 -8.827 3.272 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.583 -8.020 2.090 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.637 -8.304 4.237 1.00 0.00 C ATOM 0 H THR A 62 -3.203 -6.739 3.943 1.00 0.00 H new ATOM 0 HA THR A 62 -3.237 -9.510 4.789 1.00 0.00 H new ATOM 0 HB THR A 62 -4.834 -9.854 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.930 -7.296 2.191 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.612 -8.306 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.671 -8.943 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.382 -7.287 4.535 1.00 0.00 H new ATOM 905 N ALA A 63 -1.519 -8.386 2.241 1.00 0.00 N ATOM 906 CA ALA A 63 -0.448 -8.711 1.338 1.00 0.00 C ATOM 907 C ALA A 63 0.783 -9.128 2.133 1.00 0.00 C ATOM 908 O ALA A 63 1.500 -8.285 2.669 1.00 0.00 O ATOM 909 CB ALA A 63 -0.143 -7.526 0.435 1.00 0.00 C ATOM 0 H ALA A 63 -1.728 -7.390 2.306 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.749 -9.545 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.670 -7.785 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.031 -7.271 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.152 -6.671 1.044 1.00 0.00 H new ATOM 915 N SER A 64 1.001 -10.434 2.225 1.00 0.00 N ATOM 916 CA SER A 64 2.126 -10.984 2.969 1.00 0.00 C ATOM 917 C SER A 64 3.439 -10.419 2.440 1.00 0.00 C ATOM 918 O SER A 64 3.935 -10.834 1.389 1.00 0.00 O ATOM 919 CB SER A 64 2.122 -12.513 2.873 1.00 0.00 C ATOM 920 OG SER A 64 3.079 -13.097 3.745 1.00 0.00 O ATOM 0 H SER A 64 0.406 -11.138 1.788 1.00 0.00 H new ATOM 0 HA SER A 64 2.028 -10.700 4.017 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.129 -12.890 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.334 -12.814 1.847 1.00 0.00 H new ATOM 0 HG SER A 64 3.048 -14.073 3.659 1.00 0.00 H new ATOM 926 N CYS A 65 3.963 -9.446 3.161 1.00 0.00 N ATOM 927 CA CYS A 65 5.201 -8.792 2.794 1.00 0.00 C ATOM 928 C CYS A 65 6.420 -9.590 3.210 1.00 0.00 C ATOM 929 O CYS A 65 6.456 -10.219 4.267 1.00 0.00 O ATOM 930 CB CYS A 65 5.271 -7.398 3.407 1.00 0.00 C ATOM 931 SG CYS A 65 6.947 -6.748 3.609 1.00 0.00 S ATOM 0 H CYS A 65 3.541 -9.088 4.018 1.00 0.00 H new ATOM 0 HA CYS A 65 5.207 -8.717 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.702 -6.711 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.784 -7.419 4.382 1.00 0.00 H new ATOM 0 HG CYS A 65 6.909 -5.449 3.626 1.00 0.00 H new ATOM 937 N GLN A 66 7.407 -9.559 2.342 1.00 0.00 N ATOM 938 CA GLN A 66 8.723 -10.091 2.630 1.00 0.00 C ATOM 939 C GLN A 66 9.709 -8.934 2.707 1.00 0.00 C ATOM 940 O GLN A 66 9.721 -8.072 1.828 1.00 0.00 O ATOM 941 CB GLN A 66 9.152 -11.071 1.541 1.00 0.00 C ATOM 942 CG GLN A 66 8.088 -12.101 1.199 1.00 0.00 C ATOM 943 CD GLN A 66 8.550 -13.137 0.184 1.00 0.00 C ATOM 944 OE1 GLN A 66 7.754 -13.643 -0.610 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.832 -13.470 0.202 1.00 0.00 N ATOM 0 H GLN A 66 7.319 -9.160 1.407 1.00 0.00 H new ATOM 0 HA GLN A 66 8.701 -10.626 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.408 -10.512 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.056 -11.587 1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.780 -12.611 2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.209 -11.588 0.808 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.463 -13.032 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.188 -14.165 -0.455 1.00 0.00 H new ATOM 954 N ASN A 67 10.503 -8.895 3.766 1.00 0.00 N ATOM 955 CA ASN A 67 11.466 -7.821 3.954 1.00 0.00 C ATOM 956 C ASN A 67 12.783 -8.164 3.269 1.00 0.00 C ATOM 957 O ASN A 67 13.454 -9.133 3.639 1.00 0.00 O ATOM 958 CB ASN A 67 11.699 -7.567 5.441 1.00 0.00 C ATOM 959 CG ASN A 67 12.579 -6.363 5.674 1.00 0.00 C ATOM 960 OD1 ASN A 67 12.594 -5.432 4.880 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.309 -6.371 6.769 1.00 0.00 N ATOM 0 H ASN A 67 10.500 -9.595 4.508 1.00 0.00 H new ATOM 0 HA ASN A 67 11.062 -6.914 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.741 -7.418 5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.159 -8.446 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.917 -5.580 6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.267 -7.168 7.404 1.00 0.00 H new ATOM 968 N ALA A 68 13.156 -7.360 2.284 1.00 0.00 N ATOM 969 CA ALA A 68 14.301 -7.660 1.438 1.00 0.00 C ATOM 970 C ALA A 68 14.993 -6.389 0.982 1.00 0.00 C ATOM 971 O ALA A 68 14.460 -5.291 1.137 1.00 0.00 O ATOM 972 CB ALA A 68 13.858 -8.469 0.234 1.00 0.00 C ATOM 0 H ALA A 68 12.679 -6.489 2.050 1.00 0.00 H new ATOM 0 HA ALA A 68 15.012 -8.243 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.721 -8.689 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.406 -9.402 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.128 -7.898 -0.340 1.00 0.00 H new ATOM 978 N GLU A 69 16.198 -6.545 0.452 1.00 0.00 N ATOM 979 CA GLU A 69 16.938 -5.425 -0.102 1.00 0.00 C ATOM 980 C GLU A 69 17.121 -5.603 -1.608 1.00 0.00 C ATOM 981 O GLU A 69 17.102 -6.724 -2.118 1.00 0.00 O ATOM 982 CB GLU A 69 18.301 -5.276 0.570 1.00 0.00 C ATOM 983 CG GLU A 69 18.256 -5.293 2.089 1.00 0.00 C ATOM 984 CD GLU A 69 18.594 -6.656 2.656 1.00 0.00 C ATOM 985 OE1 GLU A 69 19.785 -7.037 2.610 1.00 0.00 O ATOM 986 OE2 GLU A 69 17.683 -7.353 3.141 1.00 0.00 O ATOM 0 H GLU A 69 16.683 -7.440 0.395 1.00 0.00 H new ATOM 0 HA GLU A 69 16.362 -4.519 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.951 -6.082 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.754 -4.340 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.956 -4.555 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.262 -4.998 2.425 1.00 0.00 H new ATOM 993 N SER A 70 17.307 -4.491 -2.305 1.00 0.00 N ATOM 994 CA SER A 70 17.439 -4.486 -3.756 1.00 0.00 C ATOM 995 C SER A 70 17.999 -3.142 -4.213 1.00 0.00 C ATOM 996 O SER A 70 17.925 -2.160 -3.474 1.00 0.00 O ATOM 997 CB SER A 70 16.075 -4.716 -4.398 1.00 0.00 C ATOM 998 OG SER A 70 16.196 -5.145 -5.745 1.00 0.00 O ATOM 0 H SER A 70 17.371 -3.566 -1.881 1.00 0.00 H new ATOM 0 HA SER A 70 18.118 -5.284 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.525 -5.463 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.495 -3.794 -4.360 1.00 0.00 H new ATOM 0 HG SER A 70 15.365 -5.583 -6.025 1.00 0.00 H new ATOM 1004 N THR A 71 18.541 -3.095 -5.428 1.00 0.00 N ATOM 1005 CA THR A 71 19.072 -1.854 -5.983 1.00 0.00 C ATOM 1006 C THR A 71 17.947 -0.840 -6.195 1.00 0.00 C ATOM 1007 O THR A 71 18.186 0.362 -6.290 1.00 0.00 O ATOM 1008 CB THR A 71 19.816 -2.097 -7.317 1.00 0.00 C ATOM 1009 OG1 THR A 71 20.466 -0.895 -7.755 1.00 0.00 O ATOM 1010 CG2 THR A 71 18.861 -2.577 -8.404 1.00 0.00 C ATOM 0 H THR A 71 18.624 -3.902 -6.046 1.00 0.00 H new ATOM 0 HA THR A 71 19.788 -1.455 -5.264 1.00 0.00 H new ATOM 0 HB THR A 71 20.562 -2.872 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.934 -1.065 -8.599 1.00 0.00 H new ATOM 0 HG21 THR A 71 19.414 -2.739 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.395 -3.512 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 71 18.090 -1.824 -8.569 1.00 0.00 H new ATOM 1018 N GLU A 72 16.723 -1.342 -6.268 1.00 0.00 N ATOM 1019 CA GLU A 72 15.546 -0.500 -6.373 1.00 0.00 C ATOM 1020 C GLU A 72 14.763 -0.598 -5.081 1.00 0.00 C ATOM 1021 O GLU A 72 14.523 -1.697 -4.589 1.00 0.00 O ATOM 1022 CB GLU A 72 14.656 -0.955 -7.518 1.00 0.00 C ATOM 1023 CG GLU A 72 15.314 -0.910 -8.876 1.00 0.00 C ATOM 1024 CD GLU A 72 15.609 0.494 -9.357 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.660 1.216 -9.718 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.797 0.875 -9.389 1.00 0.00 O ATOM 0 H GLU A 72 16.521 -2.342 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 72 15.863 0.526 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.325 -1.975 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.764 -0.329 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.245 -1.476 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.668 -1.406 -9.601 1.00 0.00 H new ATOM 1033 N ASN A 73 14.360 0.544 -4.545 1.00 0.00 N ATOM 1034 CA ASN A 73 13.642 0.601 -3.280 1.00 0.00 C ATOM 1035 C ASN A 73 12.310 -0.127 -3.388 1.00 0.00 C ATOM 1036 O ASN A 73 11.797 -0.647 -2.400 1.00 0.00 O ATOM 1037 CB ASN A 73 13.382 2.056 -2.879 1.00 0.00 C ATOM 1038 CG ASN A 73 14.579 2.976 -3.070 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.418 4.132 -3.439 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.783 2.497 -2.787 1.00 0.00 N ATOM 0 H ASN A 73 14.521 1.456 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 73 14.259 0.118 -2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.546 2.439 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.079 2.085 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.604 3.096 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.888 1.530 -2.482 1.00 0.00 H new ATOM 1047 N SER A 74 11.768 -0.176 -4.597 1.00 0.00 N ATOM 1048 CA SER A 74 10.454 -0.764 -4.821 1.00 0.00 C ATOM 1049 C SER A 74 10.541 -2.260 -5.098 1.00 0.00 C ATOM 1050 O SER A 74 9.574 -2.988 -4.892 1.00 0.00 O ATOM 1051 CB SER A 74 9.757 -0.061 -5.985 1.00 0.00 C ATOM 1052 OG SER A 74 9.621 1.325 -5.724 1.00 0.00 O ATOM 0 H SER A 74 12.218 0.184 -5.438 1.00 0.00 H new ATOM 0 HA SER A 74 9.873 -0.628 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.329 -0.209 -6.901 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.774 -0.504 -6.148 1.00 0.00 H new ATOM 0 HG SER A 74 9.131 1.750 -6.459 1.00 0.00 H new ATOM 1058 N LYS A 75 11.701 -2.723 -5.550 1.00 0.00 N ATOM 1059 CA LYS A 75 11.854 -4.130 -5.906 1.00 0.00 C ATOM 1060 C LYS A 75 12.300 -4.948 -4.704 1.00 0.00 C ATOM 1061 O LYS A 75 12.618 -6.130 -4.830 1.00 0.00 O ATOM 1062 CB LYS A 75 12.863 -4.310 -7.037 1.00 0.00 C ATOM 1063 CG LYS A 75 12.592 -3.444 -8.252 1.00 0.00 C ATOM 1064 CD LYS A 75 13.298 -3.977 -9.485 1.00 0.00 C ATOM 1065 CE LYS A 75 14.764 -4.282 -9.219 1.00 0.00 C ATOM 1066 NZ LYS A 75 15.450 -4.795 -10.433 1.00 0.00 N ATOM 0 H LYS A 75 12.538 -2.155 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 75 10.879 -4.484 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.860 -4.085 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.867 -5.356 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.519 -3.400 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.923 -2.424 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.796 -4.882 -9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.221 -3.247 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.266 -3.379 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.843 -5.018 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.447 -4.991 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.987 -5.671 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.397 -4.083 -11.189 1.00 0.00 H new ATOM 1080 N LYS A 76 12.331 -4.317 -3.542 1.00 0.00 N ATOM 1081 CA LYS A 76 12.821 -4.977 -2.345 1.00 0.00 C ATOM 1082 C LYS A 76 11.714 -5.745 -1.666 1.00 0.00 C ATOM 1083 O LYS A 76 11.818 -6.945 -1.452 1.00 0.00 O ATOM 1084 CB LYS A 76 13.375 -3.970 -1.352 1.00 0.00 C ATOM 1085 CG LYS A 76 14.228 -2.897 -1.970 1.00 0.00 C ATOM 1086 CD LYS A 76 15.212 -2.363 -0.966 1.00 0.00 C ATOM 1087 CE LYS A 76 15.762 -1.015 -1.384 1.00 0.00 C ATOM 1088 NZ LYS A 76 17.155 -0.806 -0.897 1.00 0.00 N ATOM 0 H LYS A 76 12.024 -3.354 -3.403 1.00 0.00 H new ATOM 0 HA LYS A 76 13.612 -5.658 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.544 -3.500 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.964 -4.501 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.761 -3.299 -2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.596 -2.087 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.727 -2.273 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.033 -3.071 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.742 -0.936 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.120 -0.225 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.206 0.085 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.429 -1.596 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.803 -0.761 -1.709 1.00 0.00 H new ATOM 1102 N ILE A 77 10.660 -5.035 -1.316 1.00 0.00 N ATOM 1103 CA ILE A 77 9.579 -5.624 -0.563 1.00 0.00 C ATOM 1104 C ILE A 77 8.674 -6.425 -1.483 1.00 0.00 C ATOM 1105 O ILE A 77 8.403 -6.029 -2.615 1.00 0.00 O ATOM 1106 CB ILE A 77 8.757 -4.552 0.179 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.663 -3.738 1.106 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.620 -5.164 0.971 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.361 -4.567 2.171 1.00 0.00 C ATOM 0 H ILE A 77 10.532 -4.049 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 77 10.017 -6.288 0.182 1.00 0.00 H new ATOM 0 HB ILE A 77 8.322 -3.893 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.416 -3.228 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.068 -2.966 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.065 -4.376 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.953 -5.700 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.023 -5.858 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.984 -3.918 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.615 -5.056 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.985 -5.322 1.693 1.00 0.00 H new ATOM 1121 N ILE A 78 8.219 -7.547 -0.980 1.00 0.00 N ATOM 1122 CA ILE A 78 7.351 -8.440 -1.734 1.00 0.00 C ATOM 1123 C ILE A 78 5.978 -8.473 -1.095 1.00 0.00 C ATOM 1124 O ILE A 78 5.858 -8.737 0.091 1.00 0.00 O ATOM 1125 CB ILE A 78 7.907 -9.883 -1.814 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.117 -9.949 -2.742 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.838 -10.859 -2.284 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.409 -9.530 -2.087 1.00 0.00 C ATOM 0 H ILE A 78 8.436 -7.873 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 78 7.295 -8.051 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 78 8.219 -10.170 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.223 -10.968 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.935 -9.311 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.258 -11.864 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.002 -10.847 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.488 -10.566 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.223 -9.603 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.324 -8.500 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.616 -10.183 -1.239 1.00 0.00 H new ATOM 1140 N CYS A 79 4.954 -8.196 -1.876 1.00 0.00 N ATOM 1141 CA CYS A 79 3.587 -8.223 -1.376 1.00 0.00 C ATOM 1142 C CYS A 79 2.855 -9.466 -1.874 1.00 0.00 C ATOM 1143 O CYS A 79 3.100 -9.937 -2.988 1.00 0.00 O ATOM 1144 CB CYS A 79 2.847 -6.971 -1.830 1.00 0.00 C ATOM 1145 SG CYS A 79 2.961 -6.685 -3.607 1.00 0.00 S ATOM 0 H CYS A 79 5.039 -7.949 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 79 3.617 -8.252 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.797 -7.055 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.251 -6.107 -1.303 1.00 0.00 H new ATOM 0 HG CYS A 79 1.867 -7.089 -4.183 1.00 0.00 H new ATOM 1151 N THR A 80 1.986 -10.020 -1.039 1.00 0.00 N ATOM 1152 CA THR A 80 1.175 -11.153 -1.440 1.00 0.00 C ATOM 1153 C THR A 80 -0.275 -11.031 -0.972 1.00 0.00 C ATOM 1154 O THR A 80 -0.595 -11.327 0.183 1.00 0.00 O ATOM 1155 CB THR A 80 1.760 -12.472 -0.912 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.974 -12.790 -1.608 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.746 -13.590 -1.071 1.00 0.00 C ATOM 0 H THR A 80 1.828 -9.702 -0.083 1.00 0.00 H new ATOM 0 HA THR A 80 1.185 -11.156 -2.530 1.00 0.00 H new ATOM 0 HB THR A 80 1.990 -12.359 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.339 -13.631 -1.262 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.169 -14.521 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.155 -13.347 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.495 -13.706 -2.125 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.149 -10.611 -1.860 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.569 -10.692 -1.598 1.00 0.00 C ATOM 1167 C CYS A 81 -3.073 -12.004 -2.170 1.00 0.00 C ATOM 1168 O CYS A 81 -2.668 -12.417 -3.257 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.327 -9.506 -2.187 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.877 -7.912 -1.460 1.00 0.00 S ATOM 0 H CYS A 81 -0.903 -10.212 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.743 -10.656 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.145 -9.468 -3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.396 -9.667 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.646 -7.668 -0.440 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.939 -12.657 -1.435 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.304 -14.027 -1.716 1.00 0.00 C ATOM 1178 C LYS A 82 -5.731 -14.131 -2.238 1.00 0.00 C ATOM 1179 O LYS A 82 -6.375 -13.122 -2.499 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.124 -14.858 -0.456 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.679 -14.945 0.000 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.571 -15.601 1.361 1.00 0.00 C ATOM 1183 CE LYS A 82 -3.237 -14.756 2.435 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.473 -13.513 2.731 1.00 0.00 N ATOM 0 H LYS A 82 -4.412 -12.256 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.652 -14.411 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.726 -14.428 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.503 -15.864 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.099 -15.513 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.247 -13.945 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.036 -16.586 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.521 -15.751 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.245 -14.493 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.337 -15.344 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.899 -13.030 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.485 -13.756 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.500 -12.883 1.904 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.218 -15.344 -2.407 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.565 -15.552 -2.921 1.00 0.00 C ATOM 1200 C GLU A 83 -8.650 -15.095 -1.928 1.00 0.00 C ATOM 1201 O GLU A 83 -9.660 -14.526 -2.352 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.769 -17.016 -3.311 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.881 -17.217 -4.322 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.657 -16.410 -5.586 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.848 -16.841 -6.437 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.292 -15.345 -5.740 1.00 0.00 O ATOM 0 H GLU A 83 -5.706 -16.201 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.669 -14.931 -3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.839 -17.409 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.992 -17.596 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.952 -18.275 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.833 -16.932 -3.874 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.481 -15.317 -0.593 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.426 -14.798 0.409 1.00 0.00 C ATOM 1215 C PRO A 84 -9.445 -13.272 0.464 1.00 0.00 C ATOM 1216 O PRO A 84 -10.175 -12.677 1.261 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.912 -15.353 1.741 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.501 -15.742 1.492 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.416 -16.117 0.042 1.00 0.00 C ATOM 0 HA PRO A 84 -10.446 -15.099 0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.979 -14.604 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.504 -16.210 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.825 -14.918 1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.211 -16.579 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.437 -15.882 -0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.577 -17.185 -0.105 1.00 0.00 H new ATOM 1227 N THR A 85 -8.639 -12.646 -0.380 1.00 0.00 N ATOM 1228 CA THR A 85 -8.568 -11.202 -0.441 1.00 0.00 C ATOM 1229 C THR A 85 -8.855 -10.729 -1.863 1.00 0.00 C ATOM 1230 O THR A 85 -8.079 -10.978 -2.781 1.00 0.00 O ATOM 1231 CB THR A 85 -7.190 -10.679 0.032 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.134 -11.305 -0.694 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.994 -10.938 1.514 1.00 0.00 C ATOM 0 H THR A 85 -8.021 -13.124 -1.036 1.00 0.00 H new ATOM 0 HA THR A 85 -9.322 -10.798 0.234 1.00 0.00 H new ATOM 0 HB THR A 85 -7.167 -9.605 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.487 -11.679 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.019 -10.562 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.775 -10.429 2.079 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.047 -12.010 1.706 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.015 -10.064 -2.045 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.504 -9.571 -3.337 1.00 0.00 C ATOM 1243 C PRO A 86 -9.440 -8.962 -4.261 1.00 0.00 C ATOM 1244 O PRO A 86 -9.485 -9.183 -5.470 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.540 -8.521 -2.883 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.158 -9.187 -1.721 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.987 -9.742 -0.973 1.00 0.00 C ATOM 0 HA PRO A 86 -10.890 -10.377 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.071 -7.576 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.269 -8.302 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.727 -8.485 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.847 -9.973 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.581 -9.017 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.260 -10.628 -0.399 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.474 -8.228 -3.715 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.633 -7.380 -4.547 1.00 0.00 C ATOM 1257 C ASN A 87 -6.236 -7.144 -3.980 1.00 0.00 C ATOM 1258 O ASN A 87 -5.967 -7.408 -2.813 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.371 -6.069 -4.681 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.565 -4.891 -5.221 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.799 -4.265 -4.494 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.795 -4.523 -6.465 1.00 0.00 N ATOM 0 H ASN A 87 -8.258 -8.204 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.464 -7.873 -5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.229 -6.225 -5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.762 -5.795 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.331 -3.699 -6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.437 -5.062 -7.046 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.366 -6.660 -4.855 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.071 -6.101 -4.489 1.00 0.00 C ATOM 1271 C ALA A 88 -3.843 -4.827 -5.290 1.00 0.00 C ATOM 1272 O ALA A 88 -3.609 -4.878 -6.499 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.957 -7.094 -4.753 1.00 0.00 C ATOM 0 H ALA A 88 -5.543 -6.644 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.067 -5.875 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.001 -6.652 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.127 -7.996 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.941 -7.349 -5.813 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.940 -3.691 -4.620 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.743 -2.400 -5.262 1.00 0.00 C ATOM 1281 C TYR A 89 -2.281 -2.045 -5.241 1.00 0.00 C ATOM 1282 O TYR A 89 -1.625 -2.233 -4.217 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.498 -1.311 -4.521 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.527 -0.601 -5.339 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.186 0.452 -6.176 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.845 -0.958 -5.240 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.148 1.121 -6.904 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.810 -0.300 -5.951 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.465 0.741 -6.785 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.438 1.403 -7.495 1.00 0.00 O ATOM 0 H TYR A 89 -4.156 -3.636 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.111 -2.472 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.985 -1.752 -3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.781 -0.579 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.152 0.752 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.127 -1.773 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.871 1.933 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.844 -0.597 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.994 1.925 -6.880 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.776 -1.512 -6.347 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.380 -1.129 -6.418 1.00 0.00 C ATOM 1302 C TYR A 90 0.481 -2.320 -6.057 1.00 0.00 C ATOM 1303 O TYR A 90 1.338 -2.248 -5.180 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.135 0.089 -5.509 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.735 1.349 -6.094 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -2.053 1.702 -5.835 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.003 2.159 -6.946 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.615 2.828 -6.403 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.550 3.291 -7.512 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.860 3.618 -7.240 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.421 4.734 -7.814 1.00 0.00 O ATOM 0 H TYR A 90 -2.311 -1.338 -7.198 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.109 -0.829 -7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.566 -0.098 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.937 0.228 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.648 1.085 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.027 1.900 -7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.642 3.088 -6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.042 3.916 -8.164 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.755 5.182 -8.376 1.00 0.00 H new ATOM 1321 N GLU A 91 0.182 -3.435 -6.739 1.00 0.00 N ATOM 1322 CA GLU A 91 0.907 -4.692 -6.606 1.00 0.00 C ATOM 1323 C GLU A 91 0.536 -5.428 -5.322 1.00 0.00 C ATOM 1324 O GLU A 91 0.549 -6.661 -5.266 1.00 0.00 O ATOM 1325 CB GLU A 91 2.404 -4.425 -6.684 1.00 0.00 C ATOM 1326 CG GLU A 91 2.779 -3.516 -7.844 1.00 0.00 C ATOM 1327 CD GLU A 91 2.909 -4.257 -9.157 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.974 -4.856 -9.408 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.939 -4.256 -9.943 1.00 0.00 O ATOM 0 H GLU A 91 -0.586 -3.482 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 91 0.621 -5.347 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.737 -3.972 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.933 -5.373 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.024 -2.736 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.722 -3.019 -7.619 1.00 0.00 H new ATOM 1336 N GLY A 92 0.186 -4.667 -4.311 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.174 -5.227 -3.029 1.00 0.00 C ATOM 1338 C GLY A 92 0.059 -4.246 -1.898 1.00 0.00 C ATOM 1339 O GLY A 92 0.304 -4.646 -0.765 1.00 0.00 O ATOM 0 H GLY A 92 0.143 -3.649 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.223 -5.522 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.409 -6.131 -2.851 1.00 0.00 H new ATOM 1343 N VAL A 93 -0.002 -2.956 -2.212 1.00 0.00 N ATOM 1344 CA VAL A 93 0.086 -1.915 -1.195 1.00 0.00 C ATOM 1345 C VAL A 93 -1.233 -1.857 -0.438 1.00 0.00 C ATOM 1346 O VAL A 93 -1.300 -1.429 0.718 1.00 0.00 O ATOM 1347 CB VAL A 93 0.403 -0.530 -1.813 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.603 0.530 -0.740 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.633 -0.619 -2.701 1.00 0.00 C ATOM 0 H VAL A 93 -0.112 -2.606 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 93 0.903 -2.162 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.454 -0.232 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.823 1.488 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.305 0.620 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.434 0.243 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.845 0.361 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.487 -0.948 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.451 -1.334 -3.504 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.290 -2.293 -1.112 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.610 -2.392 -0.496 1.00 0.00 C ATOM 1361 C PHE A 94 -4.358 -3.564 -1.062 1.00 0.00 C ATOM 1362 O PHE A 94 -3.853 -4.293 -1.915 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.481 -1.153 -0.760 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.737 0.128 -0.829 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.985 0.418 -1.941 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.785 1.033 0.205 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.289 1.586 -2.030 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -3.093 2.212 0.124 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.343 2.488 -0.993 1.00 0.00 C ATOM 0 H PHE A 94 -2.260 -2.585 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.433 -2.495 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.017 -1.296 -1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.231 -1.079 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.945 -0.289 -2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.371 0.813 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.699 1.802 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.137 2.923 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.794 3.416 -1.057 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.576 -3.717 -0.594 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.473 -4.682 -1.141 1.00 0.00 C ATOM 1381 C CYS A 95 -7.891 -4.097 -1.217 1.00 0.00 C ATOM 1382 O CYS A 95 -8.500 -3.794 -0.209 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.420 -5.921 -0.261 1.00 0.00 C ATOM 1384 SG CYS A 95 -6.638 -5.587 1.505 1.00 0.00 S ATOM 0 H CYS A 95 -5.963 -3.171 0.176 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.184 -4.952 -2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.193 -6.617 -0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.461 -6.418 -0.410 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.781 -6.287 2.188 1.00 0.00 H new ATOM 1390 N SER A 96 -8.403 -4.036 -2.431 1.00 0.00 N ATOM 1391 CA SER A 96 -9.680 -3.393 -2.797 1.00 0.00 C ATOM 1392 C SER A 96 -10.732 -4.394 -3.292 1.00 0.00 C ATOM 1393 O SER A 96 -10.554 -5.597 -3.182 1.00 0.00 O ATOM 1394 CB SER A 96 -9.447 -2.356 -3.876 1.00 0.00 C ATOM 1395 OG SER A 96 -9.340 -1.058 -3.318 1.00 0.00 O ATOM 0 H SER A 96 -7.930 -4.448 -3.235 1.00 0.00 H new ATOM 0 HA SER A 96 -10.064 -2.928 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.537 -2.596 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.268 -2.381 -4.593 1.00 0.00 H new ATOM 0 HG SER A 96 -8.738 -0.514 -3.868 1.00 0.00 H new ATOM 1401 N SER A 97 -11.886 -3.894 -3.716 1.00 0.00 N ATOM 1402 CA SER A 97 -12.894 -4.754 -4.327 1.00 0.00 C ATOM 1403 C SER A 97 -12.387 -5.346 -5.646 1.00 0.00 C ATOM 1404 O SER A 97 -12.684 -4.835 -6.726 1.00 0.00 O ATOM 1405 CB SER A 97 -14.185 -3.987 -4.573 1.00 0.00 C ATOM 1406 OG SER A 97 -15.190 -4.827 -5.111 1.00 0.00 O ATOM 0 H SER A 97 -12.146 -2.910 -3.650 1.00 0.00 H new ATOM 0 HA SER A 97 -13.094 -5.569 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.535 -3.551 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.994 -3.161 -5.258 1.00 0.00 H new ATOM 0 HG SER A 97 -16.008 -4.307 -5.257 1.00 0.00 H new