USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HE2:sc= -7.07! C(o=-9!,f=-16!) USER MOD Set 1.2: A 89 TYR OH : rot 180:sc= -1.98! USER MOD Set 1.3: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0.319 USER MOD Set 2.2: A 82 LYS NZ :NH3+ -160:sc=-0.00441 (180deg=-0.162) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.0979 X(o=-7.2,f=-7.6) USER MOD Set 3.2: A 56 ASN : amide:sc= -7.1! C(o=-7.2!,f=-7.6!) USER MOD Set 4.1: A 36 TYR OH : rot 7:sc= 0.00168 USER MOD Set 4.2: A 48 ASN :FLIP amide:sc= 0.00725 F(o=-7.7,f=-2.3) USER MOD Set 4.3: A 73 ASN : amide:sc= -2.27 K(o=-2.3,f=-8.6!) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 0.224 (180deg=0.0455) USER MOD Single : A 11 THR OG1 : rot 107:sc= 0.496 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0.0989 (180deg=0.084) USER MOD Single : A 17 ASN :FLIP amide:sc= -3.98 F(o=-6.4!,f=-4) USER MOD Single : A 27 THR OG1 : rot 81:sc= 0.554 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.18 (180deg=-0.947!) USER MOD Single : A 42 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.65) USER MOD Single : A 43 THR OG1 : rot 57:sc= -0.992 USER MOD Single : A 47 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Single : A 49 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.95) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -73:sc= 1.16 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.0045) USER MOD Single : A 70 SER OG : rot 180:sc= -0.135 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 119:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.21) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -29:sc= -2.15! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.727 F(o=-2.9,f=-0.73) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.703 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -70:sc= -0.524 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.155 -6.117 2.005 1.00 0.00 N ATOM 27 CA ASP A 3 14.044 -6.388 2.914 1.00 0.00 C ATOM 28 C ASP A 3 13.128 -5.174 3.059 1.00 0.00 C ATOM 29 O ASP A 3 13.508 -4.149 3.615 1.00 0.00 O ATOM 30 CB ASP A 3 14.584 -6.808 4.282 1.00 0.00 C ATOM 31 CG ASP A 3 15.797 -6.004 4.714 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.642 -4.828 5.080 1.00 0.00 O ATOM 33 OD2 ASP A 3 16.915 -6.555 4.691 1.00 0.00 O ATOM 0 HA ASP A 3 13.452 -7.200 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.797 -6.696 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.847 -7.865 4.253 1.00 0.00 H new ATOM 38 N PRO A 4 11.907 -5.284 2.508 1.00 0.00 N ATOM 39 CA PRO A 4 10.911 -4.202 2.454 1.00 0.00 C ATOM 40 C PRO A 4 10.672 -3.364 3.735 1.00 0.00 C ATOM 41 O PRO A 4 9.978 -2.365 3.658 1.00 0.00 O ATOM 42 CB PRO A 4 9.616 -4.919 2.064 1.00 0.00 C ATOM 43 CG PRO A 4 9.943 -6.368 1.964 1.00 0.00 C ATOM 44 CD PRO A 4 11.414 -6.471 1.787 1.00 0.00 C ATOM 0 HA PRO A 4 11.280 -3.447 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.839 -4.748 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.235 -4.542 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.625 -6.898 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.421 -6.824 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.810 -7.395 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.698 -6.454 0.735 1.00 0.00 H new ATOM 52 N LYS A 5 11.214 -3.734 4.896 1.00 0.00 N ATOM 53 CA LYS A 5 10.977 -2.943 6.127 1.00 0.00 C ATOM 54 C LYS A 5 11.808 -1.655 6.214 1.00 0.00 C ATOM 55 O LYS A 5 11.907 -1.057 7.280 1.00 0.00 O ATOM 56 CB LYS A 5 11.165 -3.770 7.405 1.00 0.00 C ATOM 57 CG LYS A 5 12.382 -4.685 7.431 1.00 0.00 C ATOM 58 CD LYS A 5 13.682 -3.922 7.605 1.00 0.00 C ATOM 59 CE LYS A 5 14.834 -4.876 7.868 1.00 0.00 C ATOM 60 NZ LYS A 5 16.147 -4.185 7.875 1.00 0.00 N ATOM 0 H LYS A 5 11.807 -4.554 5.021 1.00 0.00 H new ATOM 0 HA LYS A 5 9.931 -2.646 6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.230 -3.086 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.273 -4.379 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.275 -5.403 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.422 -5.257 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.887 -3.334 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.589 -3.219 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.681 -5.371 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.840 -5.654 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.818 -4.720 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.511 -4.122 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.033 -3.228 8.265 1.00 0.00 H new ATOM 74 N HIS A 6 12.402 -1.228 5.109 1.00 0.00 N ATOM 75 CA HIS A 6 13.280 -0.045 5.115 1.00 0.00 C ATOM 76 C HIS A 6 12.504 1.281 5.167 1.00 0.00 C ATOM 77 O HIS A 6 13.053 2.332 4.834 1.00 0.00 O ATOM 78 CB HIS A 6 14.240 -0.054 3.916 1.00 0.00 C ATOM 79 CG HIS A 6 13.626 -0.536 2.651 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.470 -1.870 2.362 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.106 0.136 1.612 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.870 -2.000 1.200 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.637 -0.799 0.716 1.00 0.00 N ATOM 0 H HIS A 6 12.299 -1.673 4.197 1.00 0.00 H new ATOM 0 HA HIS A 6 13.862 -0.111 6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.620 0.956 3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.097 -0.684 4.155 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.773 -2.641 2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.063 1.209 1.500 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.612 -2.934 0.723 1.00 0.00 H new ATOM 92 N VAL A 7 11.238 1.209 5.597 1.00 0.00 N ATOM 93 CA VAL A 7 10.380 2.374 5.877 1.00 0.00 C ATOM 94 C VAL A 7 10.458 3.482 4.810 1.00 0.00 C ATOM 95 O VAL A 7 10.725 3.206 3.643 1.00 0.00 O ATOM 96 CB VAL A 7 10.651 2.932 7.294 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.452 1.820 8.316 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.041 3.541 7.425 1.00 0.00 C ATOM 0 H VAL A 7 10.768 0.319 5.765 1.00 0.00 H new ATOM 0 HA VAL A 7 9.355 2.007 5.835 1.00 0.00 H new ATOM 0 HB VAL A 7 9.942 3.739 7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.642 2.208 9.317 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.428 1.451 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.144 1.004 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.179 3.917 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.793 2.780 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.147 4.362 6.716 1.00 0.00 H new ATOM 108 N CYS A 8 10.166 4.723 5.193 1.00 0.00 N ATOM 109 CA CYS A 8 10.006 5.795 4.211 1.00 0.00 C ATOM 110 C CYS A 8 10.315 7.175 4.741 1.00 0.00 C ATOM 111 O CYS A 8 10.147 7.475 5.925 1.00 0.00 O ATOM 112 CB CYS A 8 8.561 5.821 3.740 1.00 0.00 C ATOM 113 SG CYS A 8 8.136 7.196 2.612 1.00 0.00 S ATOM 0 H CYS A 8 10.037 5.010 6.163 1.00 0.00 H new ATOM 0 HA CYS A 8 10.717 5.574 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.342 4.879 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.911 5.875 4.614 1.00 0.00 H new ATOM 118 N VAL A 9 10.751 8.005 3.812 1.00 0.00 N ATOM 119 CA VAL A 9 10.685 9.437 3.938 1.00 0.00 C ATOM 120 C VAL A 9 10.408 9.987 2.547 1.00 0.00 C ATOM 121 O VAL A 9 11.309 10.120 1.725 1.00 0.00 O ATOM 122 CB VAL A 9 12.023 9.988 4.451 1.00 0.00 C ATOM 123 CG1 VAL A 9 12.116 9.860 5.957 1.00 0.00 C ATOM 124 CG2 VAL A 9 13.154 9.223 3.788 1.00 0.00 C ATOM 0 H VAL A 9 11.167 7.691 2.935 1.00 0.00 H new ATOM 0 HA VAL A 9 9.907 9.727 4.644 1.00 0.00 H new ATOM 0 HB VAL A 9 12.096 11.047 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 9 13.072 10.257 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.305 10.421 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.038 8.810 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.110 9.606 4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 9 13.072 8.165 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.093 9.349 2.707 1.00 0.00 H new ATOM 134 N ASP A 10 9.156 10.283 2.291 1.00 0.00 N ATOM 135 CA ASP A 10 8.735 10.794 1.005 1.00 0.00 C ATOM 136 C ASP A 10 7.868 12.019 1.184 1.00 0.00 C ATOM 137 O ASP A 10 7.236 12.161 2.230 1.00 0.00 O ATOM 138 CB ASP A 10 7.990 9.702 0.240 1.00 0.00 C ATOM 139 CG ASP A 10 7.236 10.202 -0.987 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.876 10.730 -1.921 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.993 10.078 -1.020 1.00 0.00 O ATOM 0 H ASP A 10 8.399 10.177 2.967 1.00 0.00 H new ATOM 0 HA ASP A 10 9.612 11.087 0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.705 8.940 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.283 9.219 0.915 1.00 0.00 H new ATOM 146 N THR A 11 7.811 12.859 0.159 1.00 0.00 N ATOM 147 CA THR A 11 6.840 13.928 0.087 1.00 0.00 C ATOM 148 C THR A 11 6.898 14.883 1.307 1.00 0.00 C ATOM 149 O THR A 11 7.603 14.640 2.287 1.00 0.00 O ATOM 150 CB THR A 11 5.483 13.220 -0.071 1.00 0.00 C ATOM 151 OG1 THR A 11 5.387 12.652 -1.384 1.00 0.00 O ATOM 152 CG2 THR A 11 4.291 14.108 0.180 1.00 0.00 C ATOM 0 H THR A 11 8.439 12.813 -0.643 1.00 0.00 H new ATOM 0 HA THR A 11 7.038 14.595 -0.752 1.00 0.00 H new ATOM 0 HB THR A 11 5.454 12.446 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.472 11.677 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.375 13.533 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.333 14.495 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.302 14.939 -0.525 1.00 0.00 H new ATOM 160 N ARG A 12 6.211 16.013 1.220 1.00 0.00 N ATOM 161 CA ARG A 12 6.154 16.940 2.332 1.00 0.00 C ATOM 162 C ARG A 12 4.968 16.604 3.219 1.00 0.00 C ATOM 163 O ARG A 12 5.033 16.726 4.445 1.00 0.00 O ATOM 164 CB ARG A 12 6.041 18.368 1.835 1.00 0.00 C ATOM 165 CG ARG A 12 6.900 18.667 0.620 1.00 0.00 C ATOM 166 CD ARG A 12 8.354 18.270 0.840 1.00 0.00 C ATOM 167 NE ARG A 12 8.969 18.948 1.980 1.00 0.00 N ATOM 168 CZ ARG A 12 10.074 18.515 2.588 1.00 0.00 C ATOM 169 NH1 ARG A 12 10.663 17.396 2.176 1.00 0.00 N ATOM 170 NH2 ARG A 12 10.586 19.189 3.613 1.00 0.00 N ATOM 0 H ARG A 12 5.689 16.306 0.394 1.00 0.00 H new ATOM 0 HA ARG A 12 7.075 16.849 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.999 18.576 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.321 19.046 2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.505 18.133 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.845 19.731 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.411 17.192 0.992 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.926 18.495 -0.060 1.00 0.00 H new ATOM 0 HE ARG A 12 8.529 19.799 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.269 16.870 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.508 17.064 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.133 20.043 3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.431 18.852 4.074 1.00 0.00 H new ATOM 184 N ASP A 13 3.879 16.197 2.588 1.00 0.00 N ATOM 185 CA ASP A 13 2.697 15.753 3.314 1.00 0.00 C ATOM 186 C ASP A 13 1.929 14.705 2.516 1.00 0.00 C ATOM 187 O ASP A 13 1.244 15.030 1.541 1.00 0.00 O ATOM 188 CB ASP A 13 1.788 16.936 3.623 1.00 0.00 C ATOM 189 CG ASP A 13 0.726 16.580 4.641 1.00 0.00 C ATOM 190 OD1 ASP A 13 1.077 16.416 5.831 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.460 16.485 4.270 1.00 0.00 O ATOM 0 H ASP A 13 3.787 16.164 1.573 1.00 0.00 H new ATOM 0 HA ASP A 13 3.027 15.303 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.387 17.766 3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.311 17.277 2.704 1.00 0.00 H new ATOM 196 N ILE A 14 2.061 13.451 2.924 1.00 0.00 N ATOM 197 CA ILE A 14 1.365 12.348 2.272 1.00 0.00 C ATOM 198 C ILE A 14 -0.100 12.344 2.690 1.00 0.00 C ATOM 199 O ILE A 14 -0.421 12.647 3.840 1.00 0.00 O ATOM 200 CB ILE A 14 2.047 10.996 2.604 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.428 10.962 1.968 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.241 9.799 2.138 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.545 11.062 2.966 1.00 0.00 C ATOM 0 H ILE A 14 2.648 13.170 3.709 1.00 0.00 H new ATOM 0 HA ILE A 14 1.416 12.485 1.192 1.00 0.00 H new ATOM 0 HB ILE A 14 2.120 10.926 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.537 10.036 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.512 11.783 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.769 8.881 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.265 9.806 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.109 9.848 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.502 11.032 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.460 12.000 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.485 10.227 3.664 1.00 0.00 H new ATOM 215 N PRO A 15 -1.002 12.026 1.746 1.00 0.00 N ATOM 216 CA PRO A 15 -2.452 12.111 1.945 1.00 0.00 C ATOM 217 C PRO A 15 -2.960 11.394 3.193 1.00 0.00 C ATOM 218 O PRO A 15 -2.308 10.491 3.717 1.00 0.00 O ATOM 219 CB PRO A 15 -3.002 11.436 0.696 1.00 0.00 C ATOM 220 CG PRO A 15 -1.978 11.706 -0.333 1.00 0.00 C ATOM 221 CD PRO A 15 -0.683 11.544 0.387 1.00 0.00 C ATOM 0 HA PRO A 15 -2.766 13.144 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.142 10.366 0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.971 11.847 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.059 11.010 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.082 12.710 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.351 10.506 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.112 12.130 -0.074 1.00 0.00 H new ATOM 229 N LYS A 16 -4.131 11.806 3.653 1.00 0.00 N ATOM 230 CA LYS A 16 -4.730 11.303 4.860 1.00 0.00 C ATOM 231 C LYS A 16 -4.783 9.791 4.929 1.00 0.00 C ATOM 232 O LYS A 16 -4.090 9.174 5.736 1.00 0.00 O ATOM 233 CB LYS A 16 -6.130 11.887 4.977 1.00 0.00 C ATOM 234 CG LYS A 16 -6.718 12.368 3.659 1.00 0.00 C ATOM 235 CD LYS A 16 -8.227 12.512 3.736 1.00 0.00 C ATOM 236 CE LYS A 16 -8.823 13.034 2.433 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.653 14.507 2.275 1.00 0.00 N ATOM 0 H LYS A 16 -4.695 12.513 3.182 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.102 11.612 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.792 11.133 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.106 12.722 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.274 13.327 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.460 11.665 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.671 11.546 3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.485 13.191 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.351 12.525 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.884 12.789 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.190 14.831 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.005 14.990 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.645 14.728 2.143 1.00 0.00 H new ATOM 251 N ASN A 17 -5.587 9.192 4.069 1.00 0.00 N ATOM 252 CA ASN A 17 -5.788 7.756 4.093 1.00 0.00 C ATOM 253 C ASN A 17 -4.685 7.104 3.277 1.00 0.00 C ATOM 254 O ASN A 17 -4.887 6.096 2.598 1.00 0.00 O ATOM 255 CB ASN A 17 -7.169 7.391 3.524 1.00 0.00 C ATOM 256 CG ASN A 17 -8.344 8.003 4.283 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.143 9.160 4.890 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -9.430 7.428 4.327 1.00 0.00 N flip ATOM 0 H ASN A 17 -6.112 9.680 3.344 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.751 7.396 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.217 7.713 2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.275 6.306 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.555 6.536 3.848 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.206 7.843 4.842 1.00 0.00 H new ATOM 265 N ALA A 18 -3.516 7.719 3.345 1.00 0.00 N ATOM 266 CA ALA A 18 -2.376 7.309 2.549 1.00 0.00 C ATOM 267 C ALA A 18 -1.163 7.109 3.423 1.00 0.00 C ATOM 268 O ALA A 18 -1.119 7.557 4.568 1.00 0.00 O ATOM 269 CB ALA A 18 -2.059 8.343 1.481 1.00 0.00 C ATOM 0 H ALA A 18 -3.333 8.516 3.954 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.633 6.366 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.200 8.012 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.920 8.463 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.829 9.297 1.955 1.00 0.00 H new ATOM 275 N GLY A 19 -0.188 6.438 2.865 1.00 0.00 N ATOM 276 CA GLY A 19 1.073 6.254 3.533 1.00 0.00 C ATOM 277 C GLY A 19 2.192 6.243 2.534 1.00 0.00 C ATOM 278 O GLY A 19 1.979 5.888 1.375 1.00 0.00 O ATOM 0 H GLY A 19 -0.245 6.007 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.230 7.054 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.064 5.317 4.090 1.00 0.00 H new ATOM 282 N CYS A 20 3.379 6.616 2.960 1.00 0.00 N ATOM 283 CA CYS A 20 4.486 6.719 2.045 1.00 0.00 C ATOM 284 C CYS A 20 5.438 5.607 2.298 1.00 0.00 C ATOM 285 O CYS A 20 5.555 5.112 3.425 1.00 0.00 O ATOM 286 CB CYS A 20 5.218 8.044 2.196 1.00 0.00 C ATOM 287 SG CYS A 20 6.511 8.054 3.491 1.00 0.00 S ATOM 0 H CYS A 20 3.598 6.851 3.928 1.00 0.00 H new ATOM 0 HA CYS A 20 4.090 6.662 1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.676 8.302 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.490 8.823 2.421 1.00 0.00 H new ATOM 292 N PHE A 21 6.086 5.182 1.255 1.00 0.00 N ATOM 293 CA PHE A 21 7.153 4.259 1.411 1.00 0.00 C ATOM 294 C PHE A 21 8.292 4.562 0.454 1.00 0.00 C ATOM 295 O PHE A 21 8.087 4.930 -0.699 1.00 0.00 O ATOM 296 CB PHE A 21 6.683 2.836 1.285 1.00 0.00 C ATOM 297 CG PHE A 21 7.748 1.897 1.728 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.752 1.530 0.862 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.772 1.419 3.026 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.763 0.706 1.274 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.782 0.580 3.444 1.00 0.00 C ATOM 302 CZ PHE A 21 9.783 0.228 2.564 1.00 0.00 C ATOM 0 H PHE A 21 5.891 5.462 0.294 1.00 0.00 H new ATOM 0 HA PHE A 21 7.539 4.377 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.786 2.688 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.412 2.626 0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.742 1.896 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.993 1.706 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.548 0.430 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.789 0.200 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.582 -0.423 2.887 1.00 0.00 H new ATOM 312 N ARG A 22 9.491 4.417 0.969 1.00 0.00 N ATOM 313 CA ARG A 22 10.688 4.745 0.238 1.00 0.00 C ATOM 314 C ARG A 22 11.603 3.527 0.207 1.00 0.00 C ATOM 315 O ARG A 22 12.010 3.028 1.252 1.00 0.00 O ATOM 316 CB ARG A 22 11.387 5.922 0.901 1.00 0.00 C ATOM 317 CG ARG A 22 12.699 6.258 0.256 1.00 0.00 C ATOM 318 CD ARG A 22 13.690 6.792 1.252 1.00 0.00 C ATOM 319 NE ARG A 22 15.032 6.574 0.765 1.00 0.00 N ATOM 320 CZ ARG A 22 16.035 7.443 0.883 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.842 8.617 1.469 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.230 7.128 0.414 1.00 0.00 N ATOM 0 H ARG A 22 9.662 4.066 1.911 1.00 0.00 H new ATOM 0 HA ARG A 22 10.434 5.025 -0.784 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.735 6.794 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.553 5.694 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.108 5.368 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.539 6.997 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.520 7.856 1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.557 6.297 2.214 1.00 0.00 H new ATOM 0 HE ARG A 22 15.226 5.689 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.921 8.860 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.615 9.277 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.380 6.224 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.002 7.789 0.501 1.00 0.00 H new ATOM 336 N ASP A 23 11.922 3.036 -0.980 1.00 0.00 N ATOM 337 CA ASP A 23 12.632 1.769 -1.078 1.00 0.00 C ATOM 338 C ASP A 23 14.145 1.935 -0.960 1.00 0.00 C ATOM 339 O ASP A 23 14.651 3.042 -0.761 1.00 0.00 O ATOM 340 CB ASP A 23 12.257 0.982 -2.346 1.00 0.00 C ATOM 341 CG ASP A 23 12.752 1.577 -3.651 1.00 0.00 C ATOM 342 OD1 ASP A 23 13.714 2.368 -3.644 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.177 1.231 -4.704 1.00 0.00 O ATOM 0 H ASP A 23 11.707 3.483 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 23 12.305 1.179 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.651 -0.030 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.171 0.898 -2.393 1.00 0.00 H new ATOM 348 N ASP A 24 14.857 0.822 -1.098 1.00 0.00 N ATOM 349 CA ASP A 24 16.302 0.775 -0.896 1.00 0.00 C ATOM 350 C ASP A 24 17.037 1.501 -2.019 1.00 0.00 C ATOM 351 O ASP A 24 18.199 1.883 -1.881 1.00 0.00 O ATOM 352 CB ASP A 24 16.748 -0.688 -0.810 1.00 0.00 C ATOM 353 CG ASP A 24 18.254 -0.871 -0.771 1.00 0.00 C ATOM 354 OD1 ASP A 24 18.869 -0.581 0.276 1.00 0.00 O ATOM 355 OD2 ASP A 24 18.821 -1.328 -1.788 1.00 0.00 O ATOM 0 H ASP A 24 14.448 -0.076 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 24 16.549 1.284 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.314 -1.138 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.348 -1.230 -1.667 1.00 0.00 H new ATOM 360 N ASP A 25 16.337 1.720 -3.119 1.00 0.00 N ATOM 361 CA ASP A 25 16.921 2.341 -4.292 1.00 0.00 C ATOM 362 C ASP A 25 16.688 3.845 -4.287 1.00 0.00 C ATOM 363 O ASP A 25 16.909 4.522 -5.295 1.00 0.00 O ATOM 364 CB ASP A 25 16.324 1.718 -5.550 1.00 0.00 C ATOM 365 CG ASP A 25 16.832 0.311 -5.791 1.00 0.00 C ATOM 366 OD1 ASP A 25 16.264 -0.645 -5.214 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.811 0.151 -6.548 1.00 0.00 O ATOM 0 H ASP A 25 15.353 1.473 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 25 17.997 2.169 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 25 15.238 1.700 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.565 2.341 -6.411 1.00 0.00 H new ATOM 372 N GLY A 26 16.221 4.357 -3.153 1.00 0.00 N ATOM 373 CA GLY A 26 16.010 5.784 -3.005 1.00 0.00 C ATOM 374 C GLY A 26 14.703 6.228 -3.625 1.00 0.00 C ATOM 375 O GLY A 26 14.445 7.423 -3.773 1.00 0.00 O ATOM 0 H GLY A 26 15.984 3.804 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.017 6.044 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.835 6.323 -3.471 1.00 0.00 H new ATOM 379 N THR A 27 13.888 5.256 -3.994 1.00 0.00 N ATOM 380 CA THR A 27 12.588 5.510 -4.589 1.00 0.00 C ATOM 381 C THR A 27 11.591 5.951 -3.526 1.00 0.00 C ATOM 382 O THR A 27 11.375 5.243 -2.549 1.00 0.00 O ATOM 383 CB THR A 27 12.065 4.226 -5.236 1.00 0.00 C ATOM 384 OG1 THR A 27 13.096 3.625 -6.032 1.00 0.00 O ATOM 385 CG2 THR A 27 10.838 4.487 -6.092 1.00 0.00 C ATOM 0 H THR A 27 14.110 4.266 -3.889 1.00 0.00 H new ATOM 0 HA THR A 27 12.698 6.298 -5.334 1.00 0.00 H new ATOM 0 HB THR A 27 11.774 3.545 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.702 3.118 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.497 3.551 -6.534 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.045 4.906 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.090 5.192 -6.884 1.00 0.00 H new ATOM 393 N GLU A 28 10.988 7.109 -3.715 1.00 0.00 N ATOM 394 CA GLU A 28 10.005 7.613 -2.772 1.00 0.00 C ATOM 395 C GLU A 28 8.620 7.642 -3.400 1.00 0.00 C ATOM 396 O GLU A 28 8.395 8.295 -4.421 1.00 0.00 O ATOM 397 CB GLU A 28 10.423 8.996 -2.278 1.00 0.00 C ATOM 398 CG GLU A 28 11.621 8.952 -1.346 1.00 0.00 C ATOM 399 CD GLU A 28 12.236 10.316 -1.096 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.513 11.332 -1.168 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.456 10.378 -0.842 1.00 0.00 O ATOM 0 H GLU A 28 11.161 7.720 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 28 9.959 6.942 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.659 9.627 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.584 9.461 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.316 8.518 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.378 8.292 -1.769 1.00 0.00 H new ATOM 408 N GLU A 29 7.703 6.909 -2.790 1.00 0.00 N ATOM 409 CA GLU A 29 6.361 6.750 -3.318 1.00 0.00 C ATOM 410 C GLU A 29 5.360 6.590 -2.192 1.00 0.00 C ATOM 411 O GLU A 29 5.550 5.776 -1.293 1.00 0.00 O ATOM 412 CB GLU A 29 6.307 5.517 -4.216 1.00 0.00 C ATOM 413 CG GLU A 29 4.908 5.147 -4.686 1.00 0.00 C ATOM 414 CD GLU A 29 4.910 3.963 -5.626 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.871 2.813 -5.144 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.949 4.179 -6.854 1.00 0.00 O ATOM 0 H GLU A 29 7.869 6.409 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 29 6.107 7.641 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.937 5.689 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.733 4.670 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.285 4.919 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.457 6.004 -5.186 1.00 0.00 H new ATOM 423 N TRP A 30 4.301 7.363 -2.227 1.00 0.00 N ATOM 424 CA TRP A 30 3.202 7.124 -1.329 1.00 0.00 C ATOM 425 C TRP A 30 2.071 6.447 -2.083 1.00 0.00 C ATOM 426 O TRP A 30 1.982 6.532 -3.309 1.00 0.00 O ATOM 427 CB TRP A 30 2.732 8.410 -0.636 1.00 0.00 C ATOM 428 CG TRP A 30 2.197 9.469 -1.547 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.832 10.609 -1.923 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.912 9.494 -2.170 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.020 11.351 -2.747 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.833 10.685 -2.917 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.177 8.624 -2.173 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.298 11.023 -3.658 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.294 8.962 -2.908 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.346 10.154 -3.639 1.00 0.00 C ATOM 0 H TRP A 30 4.179 8.153 -2.860 1.00 0.00 H new ATOM 0 HA TRP A 30 3.544 6.461 -0.534 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.958 8.151 0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.568 8.826 -0.074 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.829 10.891 -1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.261 12.250 -3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.147 7.703 -1.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.342 11.940 -4.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.143 8.295 -2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.238 10.390 -4.201 1.00 0.00 H new ATOM 447 N ARG A 31 1.227 5.765 -1.343 1.00 0.00 N ATOM 448 CA ARG A 31 0.113 5.022 -1.904 1.00 0.00 C ATOM 449 C ARG A 31 -1.084 5.157 -0.988 1.00 0.00 C ATOM 450 O ARG A 31 -1.003 5.796 0.061 1.00 0.00 O ATOM 451 CB ARG A 31 0.439 3.539 -2.096 1.00 0.00 C ATOM 452 CG ARG A 31 1.522 3.260 -3.124 1.00 0.00 C ATOM 453 CD ARG A 31 1.556 1.788 -3.520 1.00 0.00 C ATOM 454 NE ARG A 31 2.741 1.477 -4.318 1.00 0.00 N ATOM 455 CZ ARG A 31 2.874 0.411 -5.105 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.948 -0.542 -5.120 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.962 0.294 -5.853 1.00 0.00 N ATOM 0 H ARG A 31 1.292 5.707 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.102 5.440 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.749 3.121 -1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.470 3.016 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.350 3.871 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.492 3.551 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.546 1.168 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.659 1.542 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 31 3.526 2.126 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.124 -0.462 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.061 -1.354 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.683 1.015 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.078 -0.517 -6.461 1.00 0.00 H new ATOM 471 N CYS A 32 -2.168 4.522 -1.365 1.00 0.00 N ATOM 472 CA CYS A 32 -3.405 4.631 -0.626 1.00 0.00 C ATOM 473 C CYS A 32 -3.654 3.313 0.048 1.00 0.00 C ATOM 474 O CYS A 32 -3.613 2.261 -0.590 1.00 0.00 O ATOM 475 CB CYS A 32 -4.574 4.932 -1.572 1.00 0.00 C ATOM 476 SG CYS A 32 -4.352 6.438 -2.566 1.00 0.00 S ATOM 0 H CYS A 32 -2.219 3.919 -2.186 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.328 5.440 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.713 4.084 -2.242 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.488 5.028 -0.985 1.00 0.00 H new ATOM 481 N LEU A 33 -3.862 3.390 1.357 1.00 0.00 N ATOM 482 CA LEU A 33 -3.912 2.213 2.200 1.00 0.00 C ATOM 483 C LEU A 33 -4.972 1.248 1.702 1.00 0.00 C ATOM 484 O LEU A 33 -5.886 1.627 0.973 1.00 0.00 O ATOM 485 CB LEU A 33 -4.189 2.585 3.656 1.00 0.00 C ATOM 486 CG LEU A 33 -3.397 3.767 4.232 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.410 3.712 5.748 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.965 3.809 3.712 1.00 0.00 C ATOM 0 H LEU A 33 -4.000 4.268 1.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.937 1.728 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.251 2.809 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.990 1.709 4.274 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.885 4.683 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.846 4.555 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.439 3.762 6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.955 2.780 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.445 4.662 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.450 2.889 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.975 3.906 2.626 1.00 0.00 H new ATOM 500 N LEU A 34 -4.845 0.012 2.118 1.00 0.00 N ATOM 501 CA LEU A 34 -5.637 -1.062 1.586 1.00 0.00 C ATOM 502 C LEU A 34 -7.116 -0.849 1.821 1.00 0.00 C ATOM 503 O LEU A 34 -7.546 -0.477 2.910 1.00 0.00 O ATOM 504 CB LEU A 34 -5.156 -2.369 2.186 1.00 0.00 C ATOM 505 CG LEU A 34 -3.685 -2.638 1.906 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.249 -3.962 2.494 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.426 -2.591 0.410 1.00 0.00 C ATOM 0 H LEU A 34 -4.184 -0.276 2.840 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.509 -1.093 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.319 -2.351 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.753 -3.189 1.787 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.092 -1.860 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.193 -4.126 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.400 -3.948 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.839 -4.767 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.371 -2.784 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.031 -3.349 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.690 -1.606 0.026 1.00 0.00 H new ATOM 519 N GLY A 35 -7.880 -1.050 0.765 1.00 0.00 N ATOM 520 CA GLY A 35 -9.308 -0.871 0.836 1.00 0.00 C ATOM 521 C GLY A 35 -9.719 0.549 0.520 1.00 0.00 C ATOM 522 O GLY A 35 -10.909 0.888 0.556 1.00 0.00 O ATOM 0 H GLY A 35 -7.531 -1.337 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.794 -1.553 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.657 -1.135 1.834 1.00 0.00 H new ATOM 526 N TYR A 36 -8.738 1.388 0.224 1.00 0.00 N ATOM 527 CA TYR A 36 -8.990 2.788 -0.049 1.00 0.00 C ATOM 528 C TYR A 36 -8.831 3.083 -1.525 1.00 0.00 C ATOM 529 O TYR A 36 -8.649 2.176 -2.337 1.00 0.00 O ATOM 530 CB TYR A 36 -8.053 3.669 0.768 1.00 0.00 C ATOM 531 CG TYR A 36 -8.198 3.484 2.262 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.170 2.648 2.798 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.356 4.140 3.132 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.297 2.473 4.157 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.473 3.973 4.499 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.445 3.137 5.007 1.00 0.00 C ATOM 537 OH TYR A 36 -8.563 2.965 6.369 1.00 0.00 O ATOM 0 H TYR A 36 -7.756 1.118 0.167 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.018 3.010 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.024 3.454 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.241 4.714 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.841 2.124 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.592 4.795 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.060 1.819 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.805 4.496 5.168 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.226 2.267 6.554 1.00 0.00 H new ATOM 547 N LYS A 37 -8.917 4.353 -1.868 1.00 0.00 N ATOM 548 CA LYS A 37 -8.899 4.766 -3.252 1.00 0.00 C ATOM 549 C LYS A 37 -8.285 6.149 -3.377 1.00 0.00 C ATOM 550 O LYS A 37 -7.998 6.804 -2.371 1.00 0.00 O ATOM 551 CB LYS A 37 -10.327 4.781 -3.788 1.00 0.00 C ATOM 552 CG LYS A 37 -11.227 5.771 -3.073 1.00 0.00 C ATOM 553 CD LYS A 37 -12.661 5.668 -3.544 1.00 0.00 C ATOM 554 CE LYS A 37 -13.495 6.815 -3.000 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.892 6.776 -3.507 1.00 0.00 N ATOM 0 H LYS A 37 -9.001 5.119 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.298 4.065 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.306 5.022 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.753 3.782 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.183 5.592 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.861 6.783 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.691 5.676 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.087 4.718 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.503 6.773 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.034 7.763 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.427 7.576 -3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.887 6.842 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.341 5.883 -3.219 1.00 0.00 H new ATOM 569 N LYS A 38 -8.098 6.584 -4.611 1.00 0.00 N ATOM 570 CA LYS A 38 -7.544 7.899 -4.892 1.00 0.00 C ATOM 571 C LYS A 38 -8.687 8.889 -5.078 1.00 0.00 C ATOM 572 O LYS A 38 -9.588 8.664 -5.890 1.00 0.00 O ATOM 573 CB LYS A 38 -6.661 7.843 -6.140 1.00 0.00 C ATOM 574 CG LYS A 38 -5.684 8.996 -6.240 1.00 0.00 C ATOM 575 CD LYS A 38 -4.556 8.858 -5.231 1.00 0.00 C ATOM 576 CE LYS A 38 -3.375 8.088 -5.804 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.635 6.629 -5.906 1.00 0.00 N ATOM 0 H LYS A 38 -8.324 6.040 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.923 8.225 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.106 6.905 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.297 7.838 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.270 9.037 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.210 9.936 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.226 9.848 -4.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.925 8.348 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.137 8.480 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.500 8.254 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.731 6.118 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.169 6.312 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.188 6.434 -6.765 1.00 0.00 H new ATOM 591 N GLY A 39 -8.646 9.978 -4.323 1.00 0.00 N ATOM 592 CA GLY A 39 -9.793 10.856 -4.226 1.00 0.00 C ATOM 593 C GLY A 39 -9.643 12.165 -4.975 1.00 0.00 C ATOM 594 O GLY A 39 -9.616 12.196 -6.208 1.00 0.00 O ATOM 0 H GLY A 39 -7.836 10.269 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.670 10.332 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.982 11.072 -3.175 1.00 0.00 H new ATOM 598 N GLU A 40 -9.550 13.242 -4.208 1.00 0.00 N ATOM 599 CA GLU A 40 -9.488 14.605 -4.728 1.00 0.00 C ATOM 600 C GLU A 40 -8.102 14.925 -5.295 1.00 0.00 C ATOM 601 O GLU A 40 -7.467 15.911 -4.913 1.00 0.00 O ATOM 602 CB GLU A 40 -9.847 15.574 -3.593 1.00 0.00 C ATOM 603 CG GLU A 40 -9.024 15.337 -2.332 1.00 0.00 C ATOM 604 CD GLU A 40 -9.536 16.085 -1.121 1.00 0.00 C ATOM 605 OE1 GLU A 40 -9.139 17.249 -0.922 1.00 0.00 O ATOM 606 OE2 GLU A 40 -10.324 15.499 -0.350 1.00 0.00 O ATOM 0 H GLU A 40 -9.515 13.195 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.199 14.710 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.695 16.598 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.906 15.472 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.014 14.270 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.992 15.633 -2.521 1.00 0.00 H new ATOM 613 N GLY A 41 -7.642 14.088 -6.211 1.00 0.00 N ATOM 614 CA GLY A 41 -6.338 14.280 -6.808 1.00 0.00 C ATOM 615 C GLY A 41 -5.289 13.413 -6.148 1.00 0.00 C ATOM 616 O GLY A 41 -5.488 12.210 -5.989 1.00 0.00 O ATOM 0 H GLY A 41 -8.152 13.274 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.387 14.047 -7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.050 15.328 -6.724 1.00 0.00 H new ATOM 620 N ASN A 42 -4.183 14.025 -5.744 1.00 0.00 N ATOM 621 CA ASN A 42 -3.123 13.319 -5.021 1.00 0.00 C ATOM 622 C ASN A 42 -3.545 13.069 -3.574 1.00 0.00 C ATOM 623 O ASN A 42 -2.928 13.560 -2.631 1.00 0.00 O ATOM 624 CB ASN A 42 -1.808 14.112 -5.072 1.00 0.00 C ATOM 625 CG ASN A 42 -1.985 15.584 -4.725 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.216 16.411 -5.605 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.881 15.926 -3.449 1.00 0.00 N ATOM 0 H ASN A 42 -3.993 15.014 -5.904 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.957 12.357 -5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.094 13.665 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.379 14.029 -6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.993 16.901 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.689 15.214 -2.744 1.00 0.00 H new ATOM 634 N THR A 43 -4.596 12.282 -3.411 1.00 0.00 N ATOM 635 CA THR A 43 -5.190 12.038 -2.109 1.00 0.00 C ATOM 636 C THR A 43 -5.709 10.626 -1.997 1.00 0.00 C ATOM 637 O THR A 43 -6.137 10.029 -2.980 1.00 0.00 O ATOM 638 CB THR A 43 -6.363 12.975 -1.853 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.127 13.089 -3.044 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.890 14.339 -1.403 1.00 0.00 C ATOM 0 H THR A 43 -5.060 11.795 -4.178 1.00 0.00 H new ATOM 0 HA THR A 43 -4.401 12.209 -1.377 1.00 0.00 H new ATOM 0 HB THR A 43 -6.977 12.561 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.418 12.199 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.751 14.984 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.319 14.240 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.258 14.778 -2.175 1.00 0.00 H new ATOM 648 N CYS A 44 -5.707 10.111 -0.792 1.00 0.00 N ATOM 649 CA CYS A 44 -6.237 8.794 -0.546 1.00 0.00 C ATOM 650 C CYS A 44 -7.384 8.874 0.436 1.00 0.00 C ATOM 651 O CYS A 44 -7.326 9.618 1.418 1.00 0.00 O ATOM 652 CB CYS A 44 -5.141 7.884 -0.041 1.00 0.00 C ATOM 653 SG CYS A 44 -3.732 7.782 -1.188 1.00 0.00 S ATOM 0 H CYS A 44 -5.343 10.585 0.035 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.620 8.376 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.792 8.244 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.548 6.885 0.119 1.00 0.00 H new ATOM 658 N VAL A 45 -8.419 8.114 0.145 1.00 0.00 N ATOM 659 CA VAL A 45 -9.658 8.150 0.899 1.00 0.00 C ATOM 660 C VAL A 45 -10.236 6.761 1.009 1.00 0.00 C ATOM 661 O VAL A 45 -10.003 5.916 0.147 1.00 0.00 O ATOM 662 CB VAL A 45 -10.707 9.063 0.229 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.302 10.519 0.336 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.906 8.678 -1.234 1.00 0.00 C ATOM 0 H VAL A 45 -8.426 7.448 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.424 8.547 1.887 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.652 8.927 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.057 11.143 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.216 10.796 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.342 10.667 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.650 9.335 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.961 8.778 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.250 7.645 -1.295 1.00 0.00 H new ATOM 674 N GLU A 46 -10.971 6.531 2.079 1.00 0.00 N ATOM 675 CA GLU A 46 -11.636 5.265 2.284 1.00 0.00 C ATOM 676 C GLU A 46 -12.617 4.980 1.161 1.00 0.00 C ATOM 677 O GLU A 46 -13.631 5.661 1.016 1.00 0.00 O ATOM 678 CB GLU A 46 -12.366 5.256 3.625 1.00 0.00 C ATOM 679 CG GLU A 46 -11.504 4.808 4.788 1.00 0.00 C ATOM 680 CD GLU A 46 -12.200 4.965 6.119 1.00 0.00 C ATOM 681 OE1 GLU A 46 -13.401 4.634 6.213 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.544 5.403 7.087 1.00 0.00 O ATOM 0 H GLU A 46 -11.122 7.212 2.824 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.876 4.484 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.743 6.258 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.232 4.598 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.226 3.763 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.580 5.386 4.795 1.00 0.00 H new ATOM 689 N ASN A 47 -12.293 3.980 0.361 1.00 0.00 N ATOM 690 CA ASN A 47 -13.143 3.574 -0.746 1.00 0.00 C ATOM 691 C ASN A 47 -14.368 2.843 -0.219 1.00 0.00 C ATOM 692 O ASN A 47 -15.482 3.052 -0.694 1.00 0.00 O ATOM 693 CB ASN A 47 -12.331 2.712 -1.723 1.00 0.00 C ATOM 694 CG ASN A 47 -13.151 2.008 -2.789 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.281 2.381 -3.090 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.536 1.024 -3.416 1.00 0.00 N ATOM 0 H ASN A 47 -11.440 3.429 0.458 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.497 4.451 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.591 3.344 -2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.782 1.962 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.000 0.540 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.596 0.747 -3.132 1.00 0.00 H new ATOM 703 N ASN A 48 -14.141 1.989 0.777 1.00 0.00 N ATOM 704 CA ASN A 48 -15.222 1.314 1.511 1.00 0.00 C ATOM 705 C ASN A 48 -15.928 0.268 0.657 1.00 0.00 C ATOM 706 O ASN A 48 -16.662 -0.564 1.175 1.00 0.00 O ATOM 707 CB ASN A 48 -16.221 2.329 2.073 1.00 0.00 C ATOM 708 CG ASN A 48 -15.591 3.227 3.120 1.00 0.00 C ATOM 709 OD1 ASN A 48 -14.745 2.649 3.966 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -15.882 4.419 3.193 1.00 0.00 N flip ATOM 0 H ASN A 48 -13.206 1.742 1.101 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.762 0.788 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.613 2.940 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.067 1.800 2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.536 4.826 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.469 5.001 3.922 1.00 0.00 H new ATOM 717 N ASN A 49 -15.687 0.304 -0.643 1.00 0.00 N ATOM 718 CA ASN A 49 -16.085 -0.784 -1.526 1.00 0.00 C ATOM 719 C ASN A 49 -14.881 -1.257 -2.353 1.00 0.00 C ATOM 720 O ASN A 49 -14.937 -1.301 -3.582 1.00 0.00 O ATOM 721 CB ASN A 49 -17.192 -0.317 -2.459 1.00 0.00 C ATOM 722 CG ASN A 49 -17.810 -1.457 -3.251 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.897 -2.589 -2.768 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.225 -1.175 -4.476 1.00 0.00 N ATOM 0 H ASN A 49 -15.216 1.077 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.451 -1.612 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.969 0.178 -1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.791 0.425 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.634 -1.907 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.136 -0.226 -4.839 1.00 0.00 H new ATOM 731 N PRO A 50 -13.753 -1.577 -1.695 1.00 0.00 N ATOM 732 CA PRO A 50 -12.551 -2.010 -2.389 1.00 0.00 C ATOM 733 C PRO A 50 -12.714 -3.348 -3.093 1.00 0.00 C ATOM 734 O PRO A 50 -13.189 -4.328 -2.517 1.00 0.00 O ATOM 735 CB PRO A 50 -11.493 -2.098 -1.300 1.00 0.00 C ATOM 736 CG PRO A 50 -12.234 -2.153 -0.014 1.00 0.00 C ATOM 737 CD PRO A 50 -13.549 -1.492 -0.247 1.00 0.00 C ATOM 0 HA PRO A 50 -12.291 -1.312 -3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.871 -2.984 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.828 -1.235 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.372 -3.185 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.679 -1.644 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.348 -1.996 0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.538 -0.456 0.092 1.00 0.00 H new ATOM 745 N THR A 51 -12.308 -3.365 -4.343 1.00 0.00 N ATOM 746 CA THR A 51 -12.373 -4.542 -5.171 1.00 0.00 C ATOM 747 C THR A 51 -10.975 -4.877 -5.653 1.00 0.00 C ATOM 748 O THR A 51 -10.145 -3.979 -5.821 1.00 0.00 O ATOM 749 CB THR A 51 -13.304 -4.308 -6.383 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.382 -5.486 -7.195 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.825 -3.130 -7.234 1.00 0.00 C ATOM 0 H THR A 51 -11.919 -2.550 -4.816 1.00 0.00 H new ATOM 0 HA THR A 51 -12.777 -5.369 -4.588 1.00 0.00 H new ATOM 0 HB THR A 51 -14.294 -4.074 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.977 -5.320 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.501 -2.992 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.812 -2.224 -6.627 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.820 -3.333 -7.604 1.00 0.00 H new ATOM 759 N CYS A 52 -10.689 -6.147 -5.863 1.00 0.00 N ATOM 760 CA CYS A 52 -9.424 -6.490 -6.456 1.00 0.00 C ATOM 761 C CYS A 52 -9.634 -6.422 -7.953 1.00 0.00 C ATOM 762 O CYS A 52 -10.544 -7.062 -8.486 1.00 0.00 O ATOM 763 CB CYS A 52 -8.975 -7.886 -6.006 1.00 0.00 C ATOM 764 SG CYS A 52 -7.232 -8.268 -6.371 1.00 0.00 S ATOM 0 H CYS A 52 -11.299 -6.933 -5.638 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.633 -5.807 -6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.138 -7.978 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.607 -8.631 -6.489 1.00 0.00 H new ATOM 769 N ASP A 53 -8.754 -5.684 -8.614 1.00 0.00 N ATOM 770 CA ASP A 53 -8.993 -5.187 -9.972 1.00 0.00 C ATOM 771 C ASP A 53 -8.196 -3.916 -10.152 1.00 0.00 C ATOM 772 O ASP A 53 -7.389 -3.789 -11.069 1.00 0.00 O ATOM 773 CB ASP A 53 -10.471 -4.834 -10.192 1.00 0.00 C ATOM 774 CG ASP A 53 -10.799 -4.588 -11.648 1.00 0.00 C ATOM 775 OD1 ASP A 53 -11.047 -5.570 -12.375 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.816 -3.413 -12.071 1.00 0.00 O ATOM 0 H ASP A 53 -7.851 -5.409 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.704 -5.965 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.095 -5.645 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.719 -3.945 -9.612 1.00 0.00 H new ATOM 781 N ILE A 54 -8.442 -2.979 -9.239 1.00 0.00 N ATOM 782 CA ILE A 54 -7.750 -1.701 -9.217 1.00 0.00 C ATOM 783 C ILE A 54 -6.285 -1.916 -8.943 1.00 0.00 C ATOM 784 O ILE A 54 -5.897 -2.028 -7.777 1.00 0.00 O ATOM 785 CB ILE A 54 -8.295 -0.790 -8.107 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.804 -0.585 -8.280 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.527 0.527 -8.104 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.449 0.188 -7.149 1.00 0.00 C ATOM 0 H ILE A 54 -9.129 -3.089 -8.493 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.905 -1.232 -10.189 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.148 -1.261 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.985 -0.058 -9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.286 -1.559 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.915 1.173 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.470 0.331 -7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.647 1.020 -9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.517 0.293 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.301 -0.348 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.994 1.176 -7.078 1.00 0.00 H new ATOM 800 N ASN A 55 -5.487 -1.988 -10.007 1.00 0.00 N ATOM 801 CA ASN A 55 -4.072 -2.335 -9.903 1.00 0.00 C ATOM 802 C ASN A 55 -3.937 -3.799 -9.510 1.00 0.00 C ATOM 803 O ASN A 55 -3.341 -4.615 -10.214 1.00 0.00 O ATOM 804 CB ASN A 55 -3.368 -1.447 -8.868 1.00 0.00 C ATOM 805 CG ASN A 55 -1.858 -1.539 -8.957 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.296 -1.675 -10.046 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.190 -1.490 -7.825 1.00 0.00 N ATOM 0 H ASN A 55 -5.802 -1.808 -10.960 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.599 -2.171 -10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.675 -0.411 -9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.688 -1.737 -7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.173 -1.565 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.689 -1.377 -6.943 1.00 0.00 H new ATOM 814 N ASN A 56 -4.564 -4.094 -8.392 1.00 0.00 N ATOM 815 CA ASN A 56 -4.522 -5.376 -7.714 1.00 0.00 C ATOM 816 C ASN A 56 -5.126 -5.196 -6.328 1.00 0.00 C ATOM 817 O ASN A 56 -4.569 -5.636 -5.338 1.00 0.00 O ATOM 818 CB ASN A 56 -3.096 -5.907 -7.602 1.00 0.00 C ATOM 819 CG ASN A 56 -2.185 -4.957 -6.913 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.496 -3.785 -6.716 1.00 0.00 O ATOM 821 ND2 ASN A 56 -1.039 -5.447 -6.570 1.00 0.00 N ATOM 0 H ASN A 56 -5.147 -3.413 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.090 -6.106 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.106 -6.853 -7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.710 -6.115 -8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.346 -4.853 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.828 -6.428 -6.755 1.00 0.00 H new ATOM 828 N GLY A 57 -6.244 -4.475 -6.264 1.00 0.00 N ATOM 829 CA GLY A 57 -6.924 -4.264 -5.004 1.00 0.00 C ATOM 830 C GLY A 57 -6.362 -3.093 -4.219 1.00 0.00 C ATOM 831 O GLY A 57 -6.957 -2.660 -3.234 1.00 0.00 O ATOM 0 H GLY A 57 -6.689 -4.033 -7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.984 -4.093 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.850 -5.169 -4.401 1.00 0.00 H new ATOM 835 N GLY A 58 -5.239 -2.558 -4.673 1.00 0.00 N ATOM 836 CA GLY A 58 -4.547 -1.539 -3.913 1.00 0.00 C ATOM 837 C GLY A 58 -3.283 -2.092 -3.289 1.00 0.00 C ATOM 838 O GLY A 58 -2.749 -1.544 -2.329 1.00 0.00 O ATOM 0 H GLY A 58 -4.794 -2.812 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.299 -0.701 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.203 -1.153 -3.133 1.00 0.00 H new ATOM 842 N CYS A 59 -2.793 -3.161 -3.884 1.00 0.00 N ATOM 843 CA CYS A 59 -1.645 -3.900 -3.400 1.00 0.00 C ATOM 844 C CYS A 59 -0.464 -3.607 -4.292 1.00 0.00 C ATOM 845 O CYS A 59 -0.523 -2.757 -5.184 1.00 0.00 O ATOM 846 CB CYS A 59 -1.929 -5.409 -3.420 1.00 0.00 C ATOM 847 SG CYS A 59 -3.500 -5.918 -2.647 1.00 0.00 S ATOM 0 H CYS A 59 -3.192 -3.549 -4.739 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.432 -3.596 -2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.926 -5.749 -4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.111 -5.922 -2.914 1.00 0.00 H new ATOM 852 N ASP A 60 0.614 -4.284 -4.027 1.00 0.00 N ATOM 853 CA ASP A 60 1.786 -4.203 -4.858 1.00 0.00 C ATOM 854 C ASP A 60 1.772 -5.418 -5.743 1.00 0.00 C ATOM 855 O ASP A 60 1.284 -6.457 -5.332 1.00 0.00 O ATOM 856 CB ASP A 60 3.013 -4.241 -3.969 1.00 0.00 C ATOM 857 CG ASP A 60 4.298 -3.914 -4.700 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.855 -4.813 -5.362 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.769 -2.766 -4.601 1.00 0.00 O ATOM 0 H ASP A 60 0.709 -4.910 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 60 1.801 -3.288 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.880 -3.535 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.099 -5.232 -3.524 1.00 0.00 H new ATOM 864 N PRO A 61 2.214 -5.288 -6.996 1.00 0.00 N ATOM 865 CA PRO A 61 2.187 -6.392 -7.949 1.00 0.00 C ATOM 866 C PRO A 61 2.930 -7.621 -7.421 1.00 0.00 C ATOM 867 O PRO A 61 2.775 -8.730 -7.938 1.00 0.00 O ATOM 868 CB PRO A 61 2.898 -5.837 -9.178 1.00 0.00 C ATOM 869 CG PRO A 61 2.848 -4.357 -9.049 1.00 0.00 C ATOM 870 CD PRO A 61 2.748 -4.051 -7.585 1.00 0.00 C ATOM 0 HA PRO A 61 1.169 -6.725 -8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.928 -6.190 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.407 -6.165 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.740 -3.902 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.992 -3.951 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.720 -3.796 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.088 -3.204 -7.399 1.00 0.00 H new ATOM 878 N THR A 62 3.752 -7.406 -6.397 1.00 0.00 N ATOM 879 CA THR A 62 4.474 -8.481 -5.739 1.00 0.00 C ATOM 880 C THR A 62 3.671 -9.012 -4.549 1.00 0.00 C ATOM 881 O THR A 62 3.964 -10.076 -4.002 1.00 0.00 O ATOM 882 CB THR A 62 5.856 -7.987 -5.271 1.00 0.00 C ATOM 883 OG1 THR A 62 5.709 -7.011 -4.231 1.00 0.00 O ATOM 884 CG2 THR A 62 6.598 -7.358 -6.438 1.00 0.00 C ATOM 0 H THR A 62 3.933 -6.482 -6.004 1.00 0.00 H new ATOM 0 HA THR A 62 4.616 -9.292 -6.453 1.00 0.00 H new ATOM 0 HB THR A 62 6.419 -8.839 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.390 -6.168 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.575 -7.010 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.728 -8.098 -7.228 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.024 -6.514 -6.822 1.00 0.00 H new ATOM 892 N ALA A 63 2.656 -8.249 -4.160 1.00 0.00 N ATOM 893 CA ALA A 63 1.714 -8.663 -3.142 1.00 0.00 C ATOM 894 C ALA A 63 0.534 -9.382 -3.787 1.00 0.00 C ATOM 895 O ALA A 63 -0.084 -8.881 -4.724 1.00 0.00 O ATOM 896 CB ALA A 63 1.222 -7.462 -2.339 1.00 0.00 C ATOM 0 H ALA A 63 2.468 -7.324 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 63 2.220 -9.346 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.515 -7.797 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.069 -6.975 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.730 -6.755 -3.007 1.00 0.00 H new ATOM 902 N SER A 64 0.242 -10.561 -3.284 1.00 0.00 N ATOM 903 CA SER A 64 -0.874 -11.351 -3.749 1.00 0.00 C ATOM 904 C SER A 64 -2.177 -10.732 -3.264 1.00 0.00 C ATOM 905 O SER A 64 -2.405 -10.633 -2.060 1.00 0.00 O ATOM 906 CB SER A 64 -0.720 -12.775 -3.220 1.00 0.00 C ATOM 907 OG SER A 64 -0.488 -13.699 -4.272 1.00 0.00 O ATOM 0 H SER A 64 0.777 -11.001 -2.535 1.00 0.00 H new ATOM 0 HA SER A 64 -0.893 -11.374 -4.839 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.108 -12.813 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.620 -13.061 -2.675 1.00 0.00 H new ATOM 0 HG SER A 64 -0.392 -14.601 -3.900 1.00 0.00 H new ATOM 913 N CYS A 65 -3.008 -10.290 -4.197 1.00 0.00 N ATOM 914 CA CYS A 65 -4.255 -9.635 -3.841 1.00 0.00 C ATOM 915 C CYS A 65 -5.411 -10.617 -3.777 1.00 0.00 C ATOM 916 O CYS A 65 -5.563 -11.499 -4.626 1.00 0.00 O ATOM 917 CB CYS A 65 -4.606 -8.523 -4.825 1.00 0.00 C ATOM 918 SG CYS A 65 -6.299 -7.872 -4.610 1.00 0.00 S ATOM 0 H CYS A 65 -2.842 -10.373 -5.200 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.100 -9.205 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.893 -7.707 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.496 -8.900 -5.842 1.00 0.00 H new ATOM 923 N GLN A 66 -6.224 -10.433 -2.758 1.00 0.00 N ATOM 924 CA GLN A 66 -7.453 -11.185 -2.587 1.00 0.00 C ATOM 925 C GLN A 66 -8.579 -10.198 -2.340 1.00 0.00 C ATOM 926 O GLN A 66 -8.386 -9.212 -1.627 1.00 0.00 O ATOM 927 CB GLN A 66 -7.359 -12.123 -1.380 1.00 0.00 C ATOM 928 CG GLN A 66 -5.940 -12.459 -0.973 1.00 0.00 C ATOM 929 CD GLN A 66 -5.423 -13.744 -1.583 1.00 0.00 C ATOM 930 OE1 GLN A 66 -4.835 -13.742 -2.665 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.640 -14.851 -0.894 1.00 0.00 N ATOM 0 H GLN A 66 -6.051 -9.752 -2.018 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.632 -11.782 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.870 -11.663 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.890 -13.047 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.284 -11.639 -1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.891 -12.537 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.131 -14.808 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.316 -15.748 -1.255 1.00 0.00 H new ATOM 940 N ASN A 67 -9.746 -10.436 -2.914 1.00 0.00 N ATOM 941 CA ASN A 67 -10.880 -9.576 -2.626 1.00 0.00 C ATOM 942 C ASN A 67 -11.782 -10.222 -1.618 1.00 0.00 C ATOM 943 O ASN A 67 -11.999 -11.438 -1.624 1.00 0.00 O ATOM 944 CB ASN A 67 -11.676 -9.170 -3.862 1.00 0.00 C ATOM 945 CG ASN A 67 -12.207 -10.337 -4.674 1.00 0.00 C ATOM 946 OD1 ASN A 67 -13.334 -10.787 -4.466 1.00 0.00 O ATOM 947 ND2 ASN A 67 -11.410 -10.828 -5.605 1.00 0.00 N ATOM 0 H ASN A 67 -9.931 -11.198 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.463 -8.656 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.515 -8.547 -3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.043 -8.556 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.721 -11.608 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.483 -10.427 -5.746 1.00 0.00 H new ATOM 954 N ALA A 68 -12.292 -9.392 -0.751 1.00 0.00 N ATOM 955 CA ALA A 68 -13.042 -9.849 0.395 1.00 0.00 C ATOM 956 C ALA A 68 -13.865 -8.721 0.985 1.00 0.00 C ATOM 957 O ALA A 68 -13.743 -7.566 0.576 1.00 0.00 O ATOM 958 CB ALA A 68 -12.084 -10.389 1.436 1.00 0.00 C ATOM 0 H ALA A 68 -12.202 -8.378 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.724 -10.638 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.646 -10.735 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.519 -11.220 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.396 -9.601 1.741 1.00 0.00 H new ATOM 964 N GLU A 69 -14.715 -9.073 1.929 1.00 0.00 N ATOM 965 CA GLU A 69 -15.434 -8.103 2.719 1.00 0.00 C ATOM 966 C GLU A 69 -15.246 -8.413 4.194 1.00 0.00 C ATOM 967 O GLU A 69 -15.344 -9.569 4.613 1.00 0.00 O ATOM 968 CB GLU A 69 -16.919 -8.082 2.353 1.00 0.00 C ATOM 969 CG GLU A 69 -17.190 -7.555 0.954 1.00 0.00 C ATOM 970 CD GLU A 69 -18.662 -7.330 0.696 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.193 -6.298 1.155 1.00 0.00 O ATOM 972 OE2 GLU A 69 -19.291 -8.184 0.035 1.00 0.00 O ATOM 0 H GLU A 69 -14.924 -10.042 2.168 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.033 -7.112 2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.320 -9.092 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.455 -7.466 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.652 -6.618 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.800 -8.261 0.221 1.00 0.00 H new ATOM 979 N SER A 70 -14.954 -7.388 4.969 1.00 0.00 N ATOM 980 CA SER A 70 -14.673 -7.555 6.382 1.00 0.00 C ATOM 981 C SER A 70 -15.209 -6.363 7.158 1.00 0.00 C ATOM 982 O SER A 70 -15.657 -5.380 6.556 1.00 0.00 O ATOM 983 CB SER A 70 -13.159 -7.702 6.600 1.00 0.00 C ATOM 984 OG SER A 70 -12.844 -7.961 7.961 1.00 0.00 O ATOM 0 H SER A 70 -14.905 -6.423 4.642 1.00 0.00 H new ATOM 0 HA SER A 70 -15.166 -8.458 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.779 -8.513 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.655 -6.791 6.277 1.00 0.00 H new ATOM 0 HG SER A 70 -11.873 -8.050 8.061 1.00 0.00 H new ATOM 990 N THR A 71 -15.180 -6.450 8.478 1.00 0.00 N ATOM 991 CA THR A 71 -15.549 -5.331 9.325 1.00 0.00 C ATOM 992 C THR A 71 -14.698 -4.106 8.981 1.00 0.00 C ATOM 993 O THR A 71 -15.176 -2.968 9.013 1.00 0.00 O ATOM 994 CB THR A 71 -15.397 -5.698 10.821 1.00 0.00 C ATOM 995 OG1 THR A 71 -15.639 -4.554 11.651 1.00 0.00 O ATOM 996 CG2 THR A 71 -14.015 -6.264 11.109 1.00 0.00 C ATOM 0 H THR A 71 -14.903 -7.289 8.987 1.00 0.00 H new ATOM 0 HA THR A 71 -16.597 -5.091 9.143 1.00 0.00 H new ATOM 0 HB THR A 71 -16.138 -6.464 11.050 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.540 -4.806 12.593 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.937 -6.513 12.167 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.858 -7.163 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.258 -5.523 10.854 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.448 -4.352 8.602 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.547 -3.277 8.230 1.00 0.00 C ATOM 1006 C GLU A 72 -12.486 -3.132 6.717 1.00 0.00 C ATOM 1007 O GLU A 72 -12.384 -4.120 5.989 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.140 -3.532 8.759 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.088 -4.061 10.181 1.00 0.00 C ATOM 1010 CD GLU A 72 -9.762 -3.771 10.844 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -9.489 -2.591 11.137 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -8.988 -4.717 11.078 1.00 0.00 O ATOM 0 H GLU A 72 -13.040 -5.285 8.546 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.933 -2.359 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.642 -4.244 8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.573 -2.602 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.891 -3.611 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.262 -5.137 10.174 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.537 -1.887 6.261 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.398 -1.558 4.842 1.00 0.00 C ATOM 1021 C ASN A 73 -10.993 -1.875 4.355 1.00 0.00 C ATOM 1022 O ASN A 73 -10.782 -2.136 3.175 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.721 -0.072 4.610 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.027 0.851 5.599 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -10.875 0.645 5.976 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -12.746 1.855 6.059 1.00 0.00 N ATOM 0 H ASN A 73 -12.676 -1.074 6.862 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.103 -2.165 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.427 0.204 3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.799 0.075 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.350 2.491 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.699 1.996 5.724 1.00 0.00 H new ATOM 1033 N SER A 74 -10.047 -1.853 5.277 1.00 0.00 N ATOM 1034 CA SER A 74 -8.664 -2.156 4.963 1.00 0.00 C ATOM 1035 C SER A 74 -8.442 -3.663 4.920 1.00 0.00 C ATOM 1036 O SER A 74 -7.477 -4.151 4.336 1.00 0.00 O ATOM 1037 CB SER A 74 -7.737 -1.491 5.990 1.00 0.00 C ATOM 1038 OG SER A 74 -6.389 -1.896 5.826 1.00 0.00 O ATOM 0 H SER A 74 -10.215 -1.626 6.257 1.00 0.00 H new ATOM 0 HA SER A 74 -8.429 -1.757 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.805 -0.408 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.071 -1.742 6.997 1.00 0.00 H new ATOM 0 HG SER A 74 -5.836 -1.115 5.615 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.365 -4.403 5.517 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.263 -5.851 5.570 1.00 0.00 C ATOM 1046 C LYS A 75 -10.129 -6.485 4.494 1.00 0.00 C ATOM 1047 O LYS A 75 -10.415 -7.680 4.533 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.679 -6.353 6.949 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.813 -5.808 8.060 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.451 -6.460 8.048 1.00 0.00 C ATOM 1051 CE LYS A 75 -7.551 -7.931 8.402 1.00 0.00 C ATOM 1052 NZ LYS A 75 -6.223 -8.600 8.375 1.00 0.00 N ATOM 0 H LYS A 75 -10.194 -4.022 5.972 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.227 -6.136 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.716 -6.074 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.635 -7.442 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.706 -4.729 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.296 -5.982 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.999 -6.349 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.796 -5.955 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.990 -8.037 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.222 -8.428 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.335 -9.604 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.814 -8.522 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.590 -8.143 9.062 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.551 -5.671 3.540 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.339 -6.162 2.424 1.00 0.00 C ATOM 1068 C LYS A 76 -10.428 -6.602 1.299 1.00 0.00 C ATOM 1069 O LYS A 76 -10.709 -7.562 0.590 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.295 -5.099 1.918 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.227 -4.547 2.978 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.334 -3.732 2.344 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.059 -2.881 3.356 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.443 -2.549 2.919 1.00 0.00 N ATOM 0 H LYS A 76 -10.361 -4.669 3.517 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.924 -7.012 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.717 -4.278 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.892 -5.519 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.656 -5.366 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.665 -3.926 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.914 -3.093 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.044 -4.401 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.097 -3.406 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.500 -1.960 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.911 -1.977 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.407 -2.010 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.980 -3.427 2.770 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.336 -5.884 1.124 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.343 -6.278 0.148 1.00 0.00 C ATOM 1090 C ILE A 77 -7.151 -6.857 0.868 1.00 0.00 C ATOM 1091 O ILE A 77 -6.486 -6.182 1.656 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.900 -5.107 -0.747 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.093 -4.532 -1.501 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.831 -5.552 -1.731 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.834 -5.567 -2.320 1.00 0.00 C ATOM 0 H ILE A 77 -9.116 -5.032 1.640 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.793 -7.024 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.480 -4.333 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.782 -4.081 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.749 -3.735 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.534 -4.707 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.964 -5.922 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.227 -6.346 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.672 -5.094 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.157 -6.001 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.207 -6.352 -1.663 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.907 -8.116 0.611 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.839 -8.824 1.268 1.00 0.00 C ATOM 1109 C ILE A 78 -4.604 -8.825 0.389 1.00 0.00 C ATOM 1110 O ILE A 78 -4.560 -9.502 -0.635 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.227 -10.280 1.609 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.515 -10.341 2.447 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.091 -10.966 2.344 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.781 -10.107 1.648 1.00 0.00 C ATOM 0 H ILE A 78 -7.439 -8.676 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.634 -8.305 2.205 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.415 -10.803 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.577 -11.317 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.456 -9.596 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.376 -11.991 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.201 -10.972 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.878 -10.428 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.645 -10.166 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.743 -9.120 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.867 -10.867 0.871 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.623 -8.035 0.773 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.371 -7.975 0.047 1.00 0.00 C ATOM 1128 C CYS A 79 -1.305 -8.775 0.780 1.00 0.00 C ATOM 1129 O CYS A 79 -0.883 -8.419 1.881 1.00 0.00 O ATOM 1130 CB CYS A 79 -1.945 -6.523 -0.115 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.286 -5.445 -0.693 1.00 0.00 S ATOM 0 H CYS A 79 -3.669 -7.423 1.588 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.502 -8.412 -0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.575 -6.151 0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.116 -6.471 -0.821 1.00 0.00 H new ATOM 1136 N THR A 80 -0.888 -9.861 0.165 1.00 0.00 N ATOM 1137 CA THR A 80 0.061 -10.775 0.772 1.00 0.00 C ATOM 1138 C THR A 80 1.388 -10.757 0.021 1.00 0.00 C ATOM 1139 O THR A 80 1.474 -11.216 -1.114 1.00 0.00 O ATOM 1140 CB THR A 80 -0.515 -12.207 0.781 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.661 -12.265 1.639 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.521 -13.222 1.234 1.00 0.00 C ATOM 0 H THR A 80 -1.195 -10.136 -0.768 1.00 0.00 H new ATOM 0 HA THR A 80 0.239 -10.451 1.797 1.00 0.00 H new ATOM 0 HB THR A 80 -0.807 -12.458 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.023 -13.176 1.640 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.080 -14.219 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.374 -13.198 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.853 -12.978 2.243 1.00 0.00 H new ATOM 1150 N CYS A 81 2.428 -10.253 0.657 1.00 0.00 N ATOM 1151 CA CYS A 81 3.730 -10.173 0.012 1.00 0.00 C ATOM 1152 C CYS A 81 4.428 -11.538 0.124 1.00 0.00 C ATOM 1153 O CYS A 81 4.487 -12.131 1.201 1.00 0.00 O ATOM 1154 CB CYS A 81 4.575 -9.059 0.651 1.00 0.00 C ATOM 1155 SG CYS A 81 3.672 -7.505 0.994 1.00 0.00 S ATOM 0 H CYS A 81 2.401 -9.895 1.612 1.00 0.00 H new ATOM 0 HA CYS A 81 3.607 -9.926 -1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.994 -9.432 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.414 -8.836 -0.008 1.00 0.00 H new ATOM 1160 N LYS A 82 4.908 -12.040 -1.012 1.00 0.00 N ATOM 1161 CA LYS A 82 5.453 -13.391 -1.128 1.00 0.00 C ATOM 1162 C LYS A 82 6.854 -13.559 -0.525 1.00 0.00 C ATOM 1163 O LYS A 82 7.397 -12.660 0.112 1.00 0.00 O ATOM 1164 CB LYS A 82 5.457 -13.817 -2.598 1.00 0.00 C ATOM 1165 CG LYS A 82 4.218 -14.603 -3.006 1.00 0.00 C ATOM 1166 CD LYS A 82 2.929 -13.823 -2.795 1.00 0.00 C ATOM 1167 CE LYS A 82 2.709 -12.782 -3.880 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.377 -13.401 -5.189 1.00 0.00 N ATOM 0 H LYS A 82 4.930 -11.515 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 82 4.800 -14.037 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.537 -12.929 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.342 -14.424 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.300 -14.883 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.175 -15.529 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.086 -14.514 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.957 -13.332 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.903 -12.112 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.607 -12.173 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.565 -12.720 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.961 -14.250 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.372 -13.667 -5.202 1.00 0.00 H new ATOM 1182 N GLU A 83 7.398 -14.759 -0.732 1.00 0.00 N ATOM 1183 CA GLU A 83 8.687 -15.198 -0.181 1.00 0.00 C ATOM 1184 C GLU A 83 9.774 -14.112 -0.141 1.00 0.00 C ATOM 1185 O GLU A 83 10.284 -13.815 0.940 1.00 0.00 O ATOM 1186 CB GLU A 83 9.200 -16.403 -0.970 1.00 0.00 C ATOM 1187 CG GLU A 83 8.264 -17.591 -0.935 1.00 0.00 C ATOM 1188 CD GLU A 83 8.800 -18.759 -1.728 1.00 0.00 C ATOM 1189 OE1 GLU A 83 9.842 -19.319 -1.327 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.192 -19.111 -2.761 1.00 0.00 O ATOM 0 H GLU A 83 6.945 -15.473 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 83 8.488 -15.459 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.360 -16.107 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.169 -16.702 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.106 -17.897 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.292 -17.298 -1.333 1.00 0.00 H new ATOM 1197 N PRO A 84 10.141 -13.479 -1.283 1.00 0.00 N ATOM 1198 CA PRO A 84 11.295 -12.577 -1.330 1.00 0.00 C ATOM 1199 C PRO A 84 10.977 -11.227 -0.724 1.00 0.00 C ATOM 1200 O PRO A 84 11.774 -10.292 -0.768 1.00 0.00 O ATOM 1201 CB PRO A 84 11.574 -12.429 -2.817 1.00 0.00 C ATOM 1202 CG PRO A 84 10.250 -12.618 -3.475 1.00 0.00 C ATOM 1203 CD PRO A 84 9.444 -13.528 -2.584 1.00 0.00 C ATOM 0 HA PRO A 84 12.141 -12.965 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.992 -11.449 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.295 -13.171 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.745 -11.661 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.370 -13.055 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.413 -13.186 -2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.411 -14.543 -2.979 1.00 0.00 H new ATOM 1211 N THR A 85 9.784 -11.138 -0.180 1.00 0.00 N ATOM 1212 CA THR A 85 9.315 -9.939 0.455 1.00 0.00 C ATOM 1213 C THR A 85 8.901 -10.260 1.895 1.00 0.00 C ATOM 1214 O THR A 85 7.718 -10.367 2.210 1.00 0.00 O ATOM 1215 CB THR A 85 8.132 -9.343 -0.343 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.980 -10.164 -0.225 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.454 -9.236 -1.818 1.00 0.00 C ATOM 0 H THR A 85 9.111 -11.905 -0.169 1.00 0.00 H new ATOM 0 HA THR A 85 10.113 -9.197 0.476 1.00 0.00 H new ATOM 0 HB THR A 85 7.948 -8.353 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.254 -11.094 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.600 -8.813 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.322 -8.591 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.673 -10.227 -2.216 1.00 0.00 H new ATOM 1225 N PRO A 86 9.882 -10.434 2.796 1.00 0.00 N ATOM 1226 CA PRO A 86 9.624 -10.812 4.191 1.00 0.00 C ATOM 1227 C PRO A 86 8.884 -9.717 4.945 1.00 0.00 C ATOM 1228 O PRO A 86 8.453 -9.898 6.083 1.00 0.00 O ATOM 1229 CB PRO A 86 11.027 -10.990 4.783 1.00 0.00 C ATOM 1230 CG PRO A 86 11.945 -11.093 3.621 1.00 0.00 C ATOM 1231 CD PRO A 86 11.320 -10.277 2.536 1.00 0.00 C ATOM 0 HA PRO A 86 8.999 -11.702 4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.294 -10.145 5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.079 -11.885 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.937 -10.717 3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.067 -12.130 3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.628 -9.233 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.594 -10.642 1.546 1.00 0.00 H new ATOM 1239 N ASN A 87 8.741 -8.581 4.284 1.00 0.00 N ATOM 1240 CA ASN A 87 8.205 -7.382 4.888 1.00 0.00 C ATOM 1241 C ASN A 87 7.223 -6.733 3.926 1.00 0.00 C ATOM 1242 O ASN A 87 7.037 -7.222 2.810 1.00 0.00 O ATOM 1243 CB ASN A 87 9.346 -6.412 5.188 1.00 0.00 C ATOM 1244 CG ASN A 87 10.538 -7.086 5.840 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.517 -7.443 5.019 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.596 -7.258 7.054 1.00 0.00 N flip ATOM 0 H ASN A 87 8.998 -8.468 3.303 1.00 0.00 H new ATOM 0 HA ASN A 87 7.692 -7.635 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.666 -5.937 4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.980 -5.620 5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.819 -6.968 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.421 -7.691 7.469 1.00 0.00 H new ATOM 1253 N ALA A 88 6.623 -5.628 4.328 1.00 0.00 N ATOM 1254 CA ALA A 88 5.684 -4.938 3.464 1.00 0.00 C ATOM 1255 C ALA A 88 5.804 -3.434 3.609 1.00 0.00 C ATOM 1256 O ALA A 88 6.182 -2.925 4.662 1.00 0.00 O ATOM 1257 CB ALA A 88 4.262 -5.382 3.766 1.00 0.00 C ATOM 0 H ALA A 88 6.767 -5.192 5.239 1.00 0.00 H new ATOM 0 HA ALA A 88 5.926 -5.198 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.569 -4.855 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.173 -6.456 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.022 -5.154 4.805 1.00 0.00 H new ATOM 1263 N TYR A 89 5.498 -2.729 2.533 1.00 0.00 N ATOM 1264 CA TYR A 89 5.406 -1.285 2.565 1.00 0.00 C ATOM 1265 C TYR A 89 4.010 -0.934 3.086 1.00 0.00 C ATOM 1266 O TYR A 89 3.019 -1.068 2.360 1.00 0.00 O ATOM 1267 CB TYR A 89 5.605 -0.667 1.164 1.00 0.00 C ATOM 1268 CG TYR A 89 6.870 -1.042 0.406 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.836 -1.897 0.918 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.099 -0.483 -0.845 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.985 -2.173 0.202 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.234 -0.759 -1.565 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.178 -1.597 -1.040 1.00 0.00 C ATOM 1274 OH TYR A 89 10.321 -1.852 -1.753 1.00 0.00 O ATOM 0 H TYR A 89 5.308 -3.141 1.620 1.00 0.00 H new ATOM 0 HA TYR A 89 6.190 -0.884 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.749 -0.945 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.584 0.418 1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.688 -2.351 1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.363 0.188 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.731 -2.838 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.381 -0.317 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 89 10.291 -1.366 -2.604 1.00 0.00 H new ATOM 1284 N TYR A 90 3.943 -0.521 4.347 1.00 0.00 N ATOM 1285 CA TYR A 90 2.674 -0.286 5.038 1.00 0.00 C ATOM 1286 C TYR A 90 1.914 -1.600 5.225 1.00 0.00 C ATOM 1287 O TYR A 90 2.475 -2.580 5.718 1.00 0.00 O ATOM 1288 CB TYR A 90 1.806 0.773 4.327 1.00 0.00 C ATOM 1289 CG TYR A 90 1.385 1.889 5.255 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.531 1.645 6.324 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.862 3.178 5.082 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.163 2.659 7.188 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.505 4.191 5.942 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.656 3.930 6.993 1.00 0.00 C ATOM 1295 OH TYR A 90 0.305 4.945 7.854 1.00 0.00 O ATOM 0 H TYR A 90 4.766 -0.339 4.922 1.00 0.00 H new ATOM 0 HA TYR A 90 2.908 0.119 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.362 1.192 3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.919 0.294 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.149 0.647 6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.526 3.392 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.507 2.456 8.011 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.890 5.189 5.792 1.00 0.00 H new ATOM 0 HH TYR A 90 0.741 5.777 7.574 1.00 0.00 H new ATOM 1305 N GLU A 91 0.655 -1.638 4.819 1.00 0.00 N ATOM 1306 CA GLU A 91 -0.198 -2.794 5.099 1.00 0.00 C ATOM 1307 C GLU A 91 -0.034 -3.900 4.054 1.00 0.00 C ATOM 1308 O GLU A 91 -0.665 -4.952 4.152 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.666 -2.367 5.151 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.905 -1.042 5.855 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.307 -0.936 6.416 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.525 -1.383 7.563 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -4.195 -0.413 5.711 1.00 0.00 O ATOM 0 H GLU A 91 0.198 -0.890 4.297 1.00 0.00 H new ATOM 0 HA GLU A 91 0.112 -3.192 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.049 -2.299 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.241 -3.143 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.183 -0.927 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.733 -0.225 5.155 1.00 0.00 H new ATOM 1320 N GLY A 92 0.828 -3.677 3.076 1.00 0.00 N ATOM 1321 CA GLY A 92 0.910 -4.583 1.942 1.00 0.00 C ATOM 1322 C GLY A 92 0.559 -3.865 0.664 1.00 0.00 C ATOM 1323 O GLY A 92 0.500 -4.464 -0.410 1.00 0.00 O ATOM 0 H GLY A 92 1.473 -2.888 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.917 -4.994 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.232 -5.424 2.091 1.00 0.00 H new ATOM 1327 N VAL A 93 0.310 -2.566 0.805 1.00 0.00 N ATOM 1328 CA VAL A 93 0.010 -1.697 -0.317 1.00 0.00 C ATOM 1329 C VAL A 93 1.152 -1.732 -1.329 1.00 0.00 C ATOM 1330 O VAL A 93 0.955 -1.548 -2.530 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.211 -0.244 0.176 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.736 0.622 -0.941 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.149 -0.206 1.378 1.00 0.00 C ATOM 0 H VAL A 93 0.312 -2.089 1.707 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.902 -2.051 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 93 0.753 0.153 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.885 1.638 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.018 0.633 -1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.686 0.222 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.285 0.826 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.114 -0.629 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.719 -0.788 2.193 1.00 0.00 H new ATOM 1343 N PHE A 94 2.350 -1.947 -0.813 1.00 0.00 N ATOM 1344 CA PHE A 94 3.524 -2.189 -1.627 1.00 0.00 C ATOM 1345 C PHE A 94 4.459 -3.155 -0.883 1.00 0.00 C ATOM 1346 O PHE A 94 4.323 -3.324 0.323 1.00 0.00 O ATOM 1347 CB PHE A 94 4.283 -0.895 -2.066 1.00 0.00 C ATOM 1348 CG PHE A 94 3.979 0.455 -1.395 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.017 0.638 -0.404 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.704 1.571 -1.799 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.789 1.879 0.155 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.478 2.815 -1.241 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.518 2.968 -0.262 1.00 0.00 C ATOM 0 H PHE A 94 2.534 -1.958 0.190 1.00 0.00 H new ATOM 0 HA PHE A 94 3.178 -2.635 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.348 -1.087 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.111 -0.769 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.438 -0.209 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.459 1.463 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.037 1.995 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.053 3.667 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.340 3.939 0.175 1.00 0.00 H new ATOM 1363 N CYS A 95 5.360 -3.833 -1.600 1.00 0.00 N ATOM 1364 CA CYS A 95 6.330 -4.753 -0.971 1.00 0.00 C ATOM 1365 C CYS A 95 7.627 -4.782 -1.798 1.00 0.00 C ATOM 1366 O CYS A 95 7.606 -4.475 -2.989 1.00 0.00 O ATOM 1367 CB CYS A 95 5.771 -6.191 -0.850 1.00 0.00 C ATOM 1368 SG CYS A 95 3.957 -6.319 -0.640 1.00 0.00 S ATOM 0 H CYS A 95 5.443 -3.767 -2.614 1.00 0.00 H new ATOM 0 HA CYS A 95 6.529 -4.383 0.035 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.056 -6.749 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.252 -6.679 -0.002 1.00 0.00 H new ATOM 1373 N SER A 96 8.755 -5.140 -1.171 1.00 0.00 N ATOM 1374 CA SER A 96 10.036 -5.199 -1.885 1.00 0.00 C ATOM 1375 C SER A 96 10.443 -6.639 -2.126 1.00 0.00 C ATOM 1376 O SER A 96 10.640 -7.397 -1.178 1.00 0.00 O ATOM 1377 CB SER A 96 11.142 -4.504 -1.096 1.00 0.00 C ATOM 1378 OG SER A 96 12.273 -4.243 -1.912 1.00 0.00 O ATOM 0 H SER A 96 8.807 -5.390 -0.184 1.00 0.00 H new ATOM 0 HA SER A 96 9.900 -4.687 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.764 -3.568 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.436 -5.128 -0.252 1.00 0.00 H new ATOM 0 HG SER A 96 12.964 -3.796 -1.380 1.00 0.00 H new ATOM 1384 N SER A 97 10.618 -6.992 -3.388 1.00 0.00 N ATOM 1385 CA SER A 97 10.841 -8.378 -3.773 1.00 0.00 C ATOM 1386 C SER A 97 12.322 -8.687 -3.944 1.00 0.00 C ATOM 1387 O SER A 97 12.704 -9.624 -4.645 1.00 0.00 O ATOM 1388 CB SER A 97 10.086 -8.653 -5.064 1.00 0.00 C ATOM 1389 OG SER A 97 9.774 -10.026 -5.210 1.00 0.00 O ATOM 0 H SER A 97 10.610 -6.335 -4.168 1.00 0.00 H new ATOM 0 HA SER A 97 10.472 -9.026 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.166 -8.068 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.686 -8.325 -5.913 1.00 0.00 H new ATOM 0 HG SER A 97 9.288 -10.164 -6.050 1.00 0.00 H new ATOM 1395 N SER A 98 13.146 -7.901 -3.295 1.00 0.00 N ATOM 1396 CA SER A 98 14.584 -8.099 -3.366 1.00 0.00 C ATOM 1397 C SER A 98 15.193 -8.332 -1.981 1.00 0.00 C ATOM 1398 O SER A 98 16.215 -7.741 -1.638 1.00 0.00 O ATOM 1399 CB SER A 98 15.246 -6.903 -4.047 1.00 0.00 C ATOM 1400 OG SER A 98 14.726 -6.706 -5.355 1.00 0.00 O ATOM 0 H SER A 98 12.852 -7.118 -2.711 1.00 0.00 H new ATOM 0 HA SER A 98 14.769 -8.995 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.085 -6.006 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.323 -7.062 -4.101 1.00 0.00 H new ATOM 0 HG SER A 98 15.165 -5.934 -5.769 1.00 0.00 H new ATOM 1406 N SER A 99 14.560 -9.185 -1.187 1.00 0.00 N ATOM 1407 CA SER A 99 15.110 -9.569 0.100 1.00 0.00 C ATOM 1408 C SER A 99 15.356 -11.071 0.125 1.00 0.00 C ATOM 1409 O SER A 99 16.532 -11.479 0.159 1.00 0.00 O ATOM 1410 CB SER A 99 14.191 -9.146 1.241 1.00 0.00 C ATOM 1411 OG SER A 99 14.777 -9.401 2.506 1.00 0.00 O ATOM 1412 OXT SER A 99 14.377 -11.841 0.053 1.00 0.00 O ATOM 0 H SER A 99 13.667 -9.622 -1.414 1.00 0.00 H new ATOM 0 HA SER A 99 16.060 -9.054 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.965 -8.083 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.244 -9.681 1.164 1.00 0.00 H new ATOM 0 HG SER A 99 14.810 -10.368 2.662 1.00 0.00 H new