USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1076 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 148 HEMFE :(H bumps) USER MOD Set 1.1: A 41 MET CE :methyl -177:sc= -10.1! (180deg=-6.08!) USER MOD Set 1.2: A 148 HEM CMB :methyl 150:sc= -8.13! (180deg=-2.53!) USER MOD Set 2.1: A 114 MET CE :methyl 156:sc= -7.7! (180deg=-4.97!) USER MOD Set 2.2: A 134 TYR OH : rot 117:sc= -2.98! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -170:sc= -0.594 USER MOD Single : A 6 GLN : amide:sc= -1.51 K(o=-1.5,f=-10!) USER MOD Single : A 8 GLN : amide:sc= -0.0868 K(o=-0.087,f=-0.59) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.7 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 22 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.61) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -100:sc= -4.45 USER MOD Single : A 32 THR OG1 : rot -96:sc= -2.7! USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.792 (180deg=0.72) USER MOD Single : A 36 SER OG : rot -62:sc=-0.00244! USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.68 F(o=-5.9!,f=-1.7) USER MOD Single : A 39 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.022) USER MOD Single : A 48 SER OG : rot -46:sc= 0.235 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -3.65! C(o=-3.6!,f=-4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -2.1! C(o=-2.1!,f=-4.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 159:sc= -1.73 (180deg=-2.97!) USER MOD Single : A 83 MET CE :methyl -174:sc= -2.78 (180deg=-2.85) USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.459 (180deg=-1.56!) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 0.51 (180deg=0.417) USER MOD Single : A 93 TYR OH : rot -140:sc= -1.08 USER MOD Single : A 95 ASN : amide:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS :FLIP no HE2:sc= -1.16 F(o=-1.7,f=-1.2) USER MOD Single : A 99 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.191) USER MOD Single : A 102 TYR OH : rot 123:sc= 1.03 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 116 HIS :FLIP no HD1:sc= -0.352 F(o=-0.97,f=-0.35) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 175:sc= -0.793 (180deg=-0.877) USER MOD Single : A 123 ASN : amide:sc= -4.71! C(o=-4.7!,f=-16!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -90:sc= 0.551 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= -11.9! C(o=-15!,f=-12!) USER MOD Single : A 147 SER OG : rot 26:sc= 0.00314 USER MOD Single : A 148 HEM CMA :methyl -30:sc= -6.43! (180deg=-9.26!) USER MOD Single : A 148 HEM CMC :methyl -30:sc= -3.64! (180deg=-6.17!) USER MOD Single : A 148 HEM CMD :methyl 150:sc= -0.227 (180deg=-0.227) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.757 10.807 6.324 1.00 0.00 N ATOM 2 CA GLY A 1 10.992 9.610 6.777 1.00 0.00 C ATOM 3 C GLY A 1 11.903 8.381 6.734 1.00 0.00 C ATOM 4 O GLY A 1 12.376 7.910 7.749 1.00 0.00 O ATOM 0 H1 GLY A 1 11.140 11.644 6.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.572 10.956 6.952 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.093 10.657 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.618 9.765 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.123 9.456 6.137 1.00 0.00 H new ATOM 8 N LEU A 2 12.153 7.857 5.565 1.00 0.00 N ATOM 9 CA LEU A 2 13.034 6.658 5.458 1.00 0.00 C ATOM 10 C LEU A 2 14.497 7.079 5.615 1.00 0.00 C ATOM 11 O LEU A 2 14.841 8.232 5.451 1.00 0.00 O ATOM 12 CB LEU A 2 12.779 6.099 4.057 1.00 0.00 C ATOM 13 CG LEU A 2 11.572 5.162 4.097 1.00 0.00 C ATOM 14 CD1 LEU A 2 11.866 3.996 5.044 1.00 0.00 C ATOM 15 CD2 LEU A 2 10.350 5.935 4.601 1.00 0.00 C ATOM 0 H LEU A 2 11.786 8.207 4.680 1.00 0.00 H new ATOM 0 HA LEU A 2 12.827 5.916 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.598 6.914 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.659 5.562 3.702 1.00 0.00 H new ATOM 0 HG LEU A 2 11.373 4.776 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.007 3.326 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.739 3.450 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.062 4.381 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.486 5.271 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.549 6.317 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.144 6.768 3.929 1.00 0.00 H new ATOM 27 N SER A 3 15.361 6.153 5.934 1.00 0.00 N ATOM 28 CA SER A 3 16.800 6.505 6.101 1.00 0.00 C ATOM 29 C SER A 3 17.585 6.071 4.858 1.00 0.00 C ATOM 30 O SER A 3 17.016 5.696 3.852 1.00 0.00 O ATOM 31 CB SER A 3 17.266 5.733 7.336 1.00 0.00 C ATOM 32 OG SER A 3 16.564 4.499 7.413 1.00 0.00 O ATOM 0 H SER A 3 15.133 5.170 6.086 1.00 0.00 H new ATOM 0 HA SER A 3 16.955 7.577 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.339 5.551 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.088 6.322 8.236 1.00 0.00 H new ATOM 0 HG SER A 3 16.741 4.075 8.279 1.00 0.00 H new ATOM 38 N ALA A 4 18.888 6.126 4.921 1.00 0.00 N ATOM 39 CA ALA A 4 19.718 5.726 3.747 1.00 0.00 C ATOM 40 C ALA A 4 19.764 4.201 3.633 1.00 0.00 C ATOM 41 O ALA A 4 19.882 3.652 2.556 1.00 0.00 O ATOM 42 CB ALA A 4 21.110 6.288 4.037 1.00 0.00 C ATOM 0 H ALA A 4 19.416 6.432 5.738 1.00 0.00 H new ATOM 0 HA ALA A 4 19.317 6.103 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.782 6.036 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 4 21.051 7.372 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 4 21.490 5.858 4.964 1.00 0.00 H new ATOM 48 N ALA A 5 19.674 3.510 4.734 1.00 0.00 N ATOM 49 CA ALA A 5 19.714 2.023 4.681 1.00 0.00 C ATOM 50 C ALA A 5 18.311 1.482 4.402 1.00 0.00 C ATOM 51 O ALA A 5 18.127 0.594 3.594 1.00 0.00 O ATOM 52 CB ALA A 5 20.200 1.582 6.061 1.00 0.00 C ATOM 0 H ALA A 5 19.575 3.910 5.667 1.00 0.00 H new ATOM 0 HA ALA A 5 20.367 1.651 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 5 20.255 0.494 6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 5 21.188 2.001 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 5 19.504 1.936 6.822 1.00 0.00 H new ATOM 58 N GLN A 6 17.319 2.006 5.065 1.00 0.00 N ATOM 59 CA GLN A 6 15.931 1.514 4.839 1.00 0.00 C ATOM 60 C GLN A 6 15.511 1.770 3.390 1.00 0.00 C ATOM 61 O GLN A 6 15.155 0.857 2.671 1.00 0.00 O ATOM 62 CB GLN A 6 15.057 2.309 5.806 1.00 0.00 C ATOM 63 CG GLN A 6 15.193 1.719 7.208 1.00 0.00 C ATOM 64 CD GLN A 6 13.996 2.130 8.067 1.00 0.00 C ATOM 65 OE1 GLN A 6 12.980 2.553 7.553 1.00 0.00 O ATOM 66 NE2 GLN A 6 14.074 2.021 9.365 1.00 0.00 N ATOM 0 H GLN A 6 17.409 2.753 5.753 1.00 0.00 H new ATOM 0 HA GLN A 6 15.842 0.441 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.357 3.357 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 6 14.016 2.277 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.253 0.632 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.118 2.065 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.927 1.666 9.797 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.282 2.291 9.948 1.00 0.00 H new ATOM 75 N ARG A 7 15.541 3.000 2.951 1.00 0.00 N ATOM 76 CA ARG A 7 15.134 3.293 1.547 1.00 0.00 C ATOM 77 C ARG A 7 15.860 2.342 0.593 1.00 0.00 C ATOM 78 O ARG A 7 15.370 2.015 -0.469 1.00 0.00 O ATOM 79 CB ARG A 7 15.538 4.750 1.297 1.00 0.00 C ATOM 80 CG ARG A 7 17.062 4.870 1.179 1.00 0.00 C ATOM 81 CD ARG A 7 17.473 4.798 -0.295 1.00 0.00 C ATOM 82 NE ARG A 7 16.812 5.958 -0.956 1.00 0.00 N ATOM 83 CZ ARG A 7 17.225 6.362 -2.126 1.00 0.00 C ATOM 84 NH1 ARG A 7 16.926 5.677 -3.196 1.00 0.00 N ATOM 85 NH2 ARG A 7 17.936 7.451 -2.226 1.00 0.00 N ATOM 0 H ARG A 7 15.828 3.810 3.501 1.00 0.00 H new ATOM 0 HA ARG A 7 14.066 3.153 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 7 15.067 5.113 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.179 5.378 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.397 5.811 1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 7 17.544 4.070 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.556 4.852 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.154 3.858 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 7 16.038 6.436 -0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.369 4.826 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.249 5.993 -4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.169 7.987 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.259 7.767 -3.140 1.00 0.00 H new ATOM 99 N GLN A 8 17.023 1.892 0.972 1.00 0.00 N ATOM 100 CA GLN A 8 17.781 0.953 0.099 1.00 0.00 C ATOM 101 C GLN A 8 17.191 -0.449 0.249 1.00 0.00 C ATOM 102 O GLN A 8 17.049 -1.182 -0.709 1.00 0.00 O ATOM 103 CB GLN A 8 19.222 1.000 0.612 1.00 0.00 C ATOM 104 CG GLN A 8 20.046 -0.101 -0.059 1.00 0.00 C ATOM 105 CD GLN A 8 19.997 0.059 -1.579 1.00 0.00 C ATOM 106 OE1 GLN A 8 20.053 1.162 -2.087 1.00 0.00 O ATOM 107 NE2 GLN A 8 19.895 -1.002 -2.332 1.00 0.00 N ATOM 0 H GLN A 8 17.482 2.134 1.850 1.00 0.00 H new ATOM 0 HA GLN A 8 17.733 1.218 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.661 1.975 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.237 0.870 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.079 -0.055 0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 8 19.659 -1.080 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.848 -1.927 -1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.862 -0.906 -3.347 1.00 0.00 H new ATOM 116 N VAL A 9 16.835 -0.819 1.449 1.00 0.00 N ATOM 117 CA VAL A 9 16.239 -2.165 1.670 1.00 0.00 C ATOM 118 C VAL A 9 14.875 -2.226 0.981 1.00 0.00 C ATOM 119 O VAL A 9 14.464 -3.254 0.479 1.00 0.00 O ATOM 120 CB VAL A 9 16.089 -2.284 3.187 1.00 0.00 C ATOM 121 CG1 VAL A 9 15.452 -3.630 3.538 1.00 0.00 C ATOM 122 CG2 VAL A 9 17.466 -2.186 3.846 1.00 0.00 C ATOM 0 H VAL A 9 16.932 -0.245 2.287 1.00 0.00 H new ATOM 0 HA VAL A 9 16.846 -2.975 1.265 1.00 0.00 H new ATOM 0 HB VAL A 9 15.453 -1.477 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.347 -3.712 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.469 -3.700 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.086 -4.439 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.359 -2.271 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.103 -2.992 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.919 -1.226 3.601 1.00 0.00 H new ATOM 132 N VAL A 10 14.174 -1.125 0.949 1.00 0.00 N ATOM 133 CA VAL A 10 12.839 -1.103 0.290 1.00 0.00 C ATOM 134 C VAL A 10 13.017 -1.252 -1.222 1.00 0.00 C ATOM 135 O VAL A 10 12.350 -2.040 -1.862 1.00 0.00 O ATOM 136 CB VAL A 10 12.248 0.266 0.637 1.00 0.00 C ATOM 137 CG1 VAL A 10 10.919 0.459 -0.096 1.00 0.00 C ATOM 138 CG2 VAL A 10 12.013 0.348 2.148 1.00 0.00 C ATOM 0 H VAL A 10 14.471 -0.237 1.353 1.00 0.00 H new ATOM 0 HA VAL A 10 12.189 -1.913 0.621 1.00 0.00 H new ATOM 0 HB VAL A 10 12.943 1.047 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.503 1.435 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.085 0.401 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.220 -0.321 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.592 1.322 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.319 -0.436 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.960 0.217 2.671 1.00 0.00 H new ATOM 148 N ALA A 11 13.915 -0.500 -1.797 1.00 0.00 N ATOM 149 CA ALA A 11 14.139 -0.598 -3.267 1.00 0.00 C ATOM 150 C ALA A 11 14.748 -1.961 -3.608 1.00 0.00 C ATOM 151 O ALA A 11 14.785 -2.364 -4.753 1.00 0.00 O ATOM 152 CB ALA A 11 15.116 0.532 -3.599 1.00 0.00 C ATOM 0 H ALA A 11 14.503 0.178 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 11 13.215 -0.508 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.331 0.525 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.672 1.489 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.042 0.388 -3.042 1.00 0.00 H new ATOM 158 N SER A 12 15.226 -2.676 -2.624 1.00 0.00 N ATOM 159 CA SER A 12 15.830 -4.010 -2.899 1.00 0.00 C ATOM 160 C SER A 12 14.755 -5.096 -2.801 1.00 0.00 C ATOM 161 O SER A 12 14.859 -6.142 -3.409 1.00 0.00 O ATOM 162 CB SER A 12 16.894 -4.201 -1.818 1.00 0.00 C ATOM 163 OG SER A 12 17.567 -5.434 -2.034 1.00 0.00 O ATOM 0 H SER A 12 15.224 -2.394 -1.644 1.00 0.00 H new ATOM 0 HA SER A 12 16.260 -4.074 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.606 -3.376 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.431 -4.194 -0.831 1.00 0.00 H new ATOM 0 HG SER A 12 18.251 -5.559 -1.343 1.00 0.00 H new ATOM 169 N THR A 13 13.722 -4.857 -2.039 1.00 0.00 N ATOM 170 CA THR A 13 12.645 -5.878 -1.904 1.00 0.00 C ATOM 171 C THR A 13 11.489 -5.550 -2.854 1.00 0.00 C ATOM 172 O THR A 13 10.589 -6.343 -3.044 1.00 0.00 O ATOM 173 CB THR A 13 12.190 -5.790 -0.446 1.00 0.00 C ATOM 174 OG1 THR A 13 11.978 -4.429 -0.100 1.00 0.00 O ATOM 175 CG2 THR A 13 13.264 -6.389 0.463 1.00 0.00 C ATOM 0 H THR A 13 13.578 -4.000 -1.505 1.00 0.00 H new ATOM 0 HA THR A 13 12.990 -6.880 -2.158 1.00 0.00 H new ATOM 0 HB THR A 13 11.261 -6.346 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.149 -4.111 -0.515 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.939 -6.326 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.425 -7.434 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.195 -5.835 0.340 1.00 0.00 H new ATOM 183 N TRP A 14 11.501 -4.388 -3.453 1.00 0.00 N ATOM 184 CA TRP A 14 10.397 -4.024 -4.385 1.00 0.00 C ATOM 185 C TRP A 14 10.775 -4.414 -5.815 1.00 0.00 C ATOM 186 O TRP A 14 9.929 -4.547 -6.676 1.00 0.00 O ATOM 187 CB TRP A 14 10.238 -2.508 -4.254 1.00 0.00 C ATOM 188 CG TRP A 14 8.794 -2.182 -4.057 1.00 0.00 C ATOM 189 CD1 TRP A 14 8.203 -1.955 -2.862 1.00 0.00 C ATOM 190 CD2 TRP A 14 7.749 -2.049 -5.062 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.860 -1.693 -3.070 1.00 0.00 N ATOM 192 CE2 TRP A 14 6.532 -1.739 -4.411 1.00 0.00 C ATOM 193 CE3 TRP A 14 7.740 -2.167 -6.463 1.00 0.00 C ATOM 194 CZ2 TRP A 14 5.348 -1.554 -5.125 1.00 0.00 C ATOM 195 CZ3 TRP A 14 6.550 -1.981 -7.184 1.00 0.00 C ATOM 196 CH2 TRP A 14 5.356 -1.676 -6.516 1.00 0.00 C ATOM 0 H TRP A 14 12.225 -3.679 -3.337 1.00 0.00 H new ATOM 0 HA TRP A 14 9.467 -4.541 -4.150 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.825 -2.140 -3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.617 -2.012 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.698 -1.975 -1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.194 -1.491 -2.324 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.654 -2.402 -6.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.431 -1.318 -4.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.554 -2.073 -8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.444 -1.536 -7.076 1.00 0.00 H new ATOM 207 N LYS A 15 12.039 -4.603 -6.074 1.00 0.00 N ATOM 208 CA LYS A 15 12.465 -4.990 -7.448 1.00 0.00 C ATOM 209 C LYS A 15 12.285 -6.500 -7.640 1.00 0.00 C ATOM 210 O LYS A 15 12.364 -7.007 -8.741 1.00 0.00 O ATOM 211 CB LYS A 15 13.942 -4.601 -7.536 1.00 0.00 C ATOM 212 CG LYS A 15 14.059 -3.087 -7.720 1.00 0.00 C ATOM 213 CD LYS A 15 15.521 -2.664 -7.565 1.00 0.00 C ATOM 214 CE LYS A 15 16.165 -2.536 -8.947 1.00 0.00 C ATOM 215 NZ LYS A 15 16.016 -1.097 -9.301 1.00 0.00 N ATOM 0 H LYS A 15 12.794 -4.506 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 15 11.877 -4.497 -8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.465 -4.910 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.416 -5.118 -8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.689 -2.800 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.441 -2.572 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.581 -1.714 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.061 -3.398 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.214 -2.832 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.669 -3.177 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.434 -0.925 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.007 -0.847 -9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.504 -0.513 -8.592 1.00 0.00 H new ATOM 229 N ASP A 16 12.042 -7.223 -6.578 1.00 0.00 N ATOM 230 CA ASP A 16 11.856 -8.696 -6.707 1.00 0.00 C ATOM 231 C ASP A 16 10.367 -9.038 -6.605 1.00 0.00 C ATOM 232 O ASP A 16 9.803 -9.663 -7.481 1.00 0.00 O ATOM 233 CB ASP A 16 12.633 -9.304 -5.538 1.00 0.00 C ATOM 234 CG ASP A 16 13.629 -10.344 -6.054 1.00 0.00 C ATOM 235 OD1 ASP A 16 13.219 -11.472 -6.271 1.00 0.00 O ATOM 236 OD2 ASP A 16 14.785 -9.994 -6.225 1.00 0.00 O ATOM 0 H ASP A 16 11.965 -6.857 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 16 12.210 -9.079 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.162 -8.520 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.942 -9.768 -4.834 1.00 0.00 H new ATOM 241 N ILE A 17 9.725 -8.633 -5.542 1.00 0.00 N ATOM 242 CA ILE A 17 8.274 -8.936 -5.388 1.00 0.00 C ATOM 243 C ILE A 17 7.481 -8.224 -6.487 1.00 0.00 C ATOM 244 O ILE A 17 6.511 -8.744 -7.002 1.00 0.00 O ATOM 245 CB ILE A 17 7.890 -8.399 -4.008 1.00 0.00 C ATOM 246 CG1 ILE A 17 8.696 -9.131 -2.933 1.00 0.00 C ATOM 247 CG2 ILE A 17 6.397 -8.631 -3.767 1.00 0.00 C ATOM 248 CD1 ILE A 17 8.297 -8.609 -1.551 1.00 0.00 C ATOM 0 H ILE A 17 10.143 -8.106 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 17 8.060 -10.001 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 17 8.105 -7.331 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.514 -10.204 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.763 -8.979 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.123 -8.248 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.820 -8.111 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.183 -9.699 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.871 -9.131 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.502 -7.540 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.233 -8.784 -1.389 1.00 0.00 H new ATOM 260 N ALA A 18 7.885 -7.038 -6.850 1.00 0.00 N ATOM 261 CA ALA A 18 7.153 -6.294 -7.914 1.00 0.00 C ATOM 262 C ALA A 18 7.922 -6.395 -9.234 1.00 0.00 C ATOM 263 O ALA A 18 7.924 -5.480 -10.034 1.00 0.00 O ATOM 264 CB ALA A 18 7.098 -4.845 -7.428 1.00 0.00 C ATOM 0 H ALA A 18 8.690 -6.552 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 18 6.154 -6.693 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.572 -4.235 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.571 -4.801 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.112 -4.465 -7.300 1.00 0.00 H new ATOM 270 N GLY A 19 8.574 -7.501 -9.469 1.00 0.00 N ATOM 271 CA GLY A 19 9.341 -7.659 -10.737 1.00 0.00 C ATOM 272 C GLY A 19 8.425 -7.343 -11.921 1.00 0.00 C ATOM 273 O GLY A 19 8.391 -6.232 -12.412 1.00 0.00 O ATOM 0 H GLY A 19 8.609 -8.302 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.203 -6.992 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.725 -8.676 -10.820 1.00 0.00 H new ATOM 277 N SER A 20 7.683 -8.311 -12.383 1.00 0.00 N ATOM 278 CA SER A 20 6.770 -8.065 -13.535 1.00 0.00 C ATOM 279 C SER A 20 5.352 -7.803 -13.022 1.00 0.00 C ATOM 280 O SER A 20 4.549 -7.173 -13.682 1.00 0.00 O ATOM 281 CB SER A 20 6.817 -9.347 -14.367 1.00 0.00 C ATOM 282 OG SER A 20 6.774 -10.472 -13.499 1.00 0.00 O ATOM 0 H SER A 20 7.669 -9.261 -12.013 1.00 0.00 H new ATOM 0 HA SER A 20 7.065 -7.196 -14.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.976 -9.376 -15.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.726 -9.371 -14.968 1.00 0.00 H new ATOM 0 HG SER A 20 6.802 -11.296 -14.029 1.00 0.00 H new ATOM 288 N ASP A 21 5.038 -8.280 -11.849 1.00 0.00 N ATOM 289 CA ASP A 21 3.672 -8.057 -11.295 1.00 0.00 C ATOM 290 C ASP A 21 3.598 -6.671 -10.650 1.00 0.00 C ATOM 291 O ASP A 21 2.532 -6.123 -10.455 1.00 0.00 O ATOM 292 CB ASP A 21 3.478 -9.154 -10.247 1.00 0.00 C ATOM 293 CG ASP A 21 4.602 -9.094 -9.211 1.00 0.00 C ATOM 294 OD1 ASP A 21 5.752 -9.191 -9.607 1.00 0.00 O ATOM 295 OD2 ASP A 21 4.294 -8.951 -8.039 1.00 0.00 O ATOM 0 H ASP A 21 5.668 -8.814 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 21 2.899 -8.097 -12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.513 -9.032 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.469 -10.131 -10.729 1.00 0.00 H new ATOM 300 N ASN A 22 4.724 -6.100 -10.318 1.00 0.00 N ATOM 301 CA ASN A 22 4.717 -4.750 -9.686 1.00 0.00 C ATOM 302 C ASN A 22 3.855 -4.779 -8.421 1.00 0.00 C ATOM 303 O ASN A 22 3.331 -3.770 -7.993 1.00 0.00 O ATOM 304 CB ASN A 22 4.110 -3.817 -10.736 1.00 0.00 C ATOM 305 CG ASN A 22 4.645 -2.397 -10.545 1.00 0.00 C ATOM 306 OD1 ASN A 22 5.840 -2.189 -10.474 1.00 0.00 O ATOM 307 ND2 ASN A 22 3.804 -1.402 -10.458 1.00 0.00 N ATOM 0 H ASN A 22 5.648 -6.510 -10.457 1.00 0.00 H new ATOM 0 HA ASN A 22 5.713 -4.422 -9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.353 -4.175 -11.736 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.023 -3.819 -10.652 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.150 -0.451 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.801 -1.576 -10.518 1.00 0.00 H new ATOM 314 N GLY A 23 3.705 -5.927 -7.820 1.00 0.00 N ATOM 315 CA GLY A 23 2.878 -6.019 -6.584 1.00 0.00 C ATOM 316 C GLY A 23 1.466 -6.475 -6.955 1.00 0.00 C ATOM 317 O GLY A 23 0.512 -6.210 -6.251 1.00 0.00 O ATOM 0 H GLY A 23 4.119 -6.805 -8.131 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.328 -6.722 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.841 -5.051 -6.084 1.00 0.00 H new ATOM 321 N ALA A 24 1.325 -7.161 -8.057 1.00 0.00 N ATOM 322 CA ALA A 24 -0.027 -7.633 -8.471 1.00 0.00 C ATOM 323 C ALA A 24 -0.501 -8.735 -7.520 1.00 0.00 C ATOM 324 O ALA A 24 -1.581 -8.670 -6.969 1.00 0.00 O ATOM 325 CB ALA A 24 0.155 -8.181 -9.888 1.00 0.00 C ATOM 0 H ALA A 24 2.086 -7.414 -8.687 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.774 -6.839 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.801 -8.548 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.519 -7.388 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.877 -8.998 -9.872 1.00 0.00 H new ATOM 331 N GLY A 25 0.300 -9.746 -7.324 1.00 0.00 N ATOM 332 CA GLY A 25 -0.104 -10.851 -6.408 1.00 0.00 C ATOM 333 C GLY A 25 0.022 -10.383 -4.954 1.00 0.00 C ATOM 334 O GLY A 25 -0.465 -11.024 -4.045 1.00 0.00 O ATOM 0 H GLY A 25 1.217 -9.855 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.130 -11.153 -6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.526 -11.725 -6.576 1.00 0.00 H new ATOM 338 N VAL A 26 0.674 -9.274 -4.725 1.00 0.00 N ATOM 339 CA VAL A 26 0.832 -8.774 -3.330 1.00 0.00 C ATOM 340 C VAL A 26 -0.430 -8.016 -2.902 1.00 0.00 C ATOM 341 O VAL A 26 -0.838 -8.067 -1.759 1.00 0.00 O ATOM 342 CB VAL A 26 2.046 -7.838 -3.383 1.00 0.00 C ATOM 343 CG1 VAL A 26 2.100 -6.970 -2.121 1.00 0.00 C ATOM 344 CG2 VAL A 26 3.325 -8.673 -3.477 1.00 0.00 C ATOM 0 H VAL A 26 1.104 -8.693 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 26 0.976 -9.578 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 26 1.959 -7.192 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.966 -6.310 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.191 -6.372 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.181 -7.610 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.190 -8.011 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.402 -9.321 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.296 -9.283 -4.380 1.00 0.00 H new ATOM 354 N GLY A 27 -1.044 -7.305 -3.806 1.00 0.00 N ATOM 355 CA GLY A 27 -2.269 -6.537 -3.444 1.00 0.00 C ATOM 356 C GLY A 27 -3.471 -7.482 -3.372 1.00 0.00 C ATOM 357 O GLY A 27 -4.303 -7.375 -2.493 1.00 0.00 O ATOM 0 H GLY A 27 -0.751 -7.222 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.127 -6.040 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.452 -5.757 -4.183 1.00 0.00 H new ATOM 361 N LYS A 28 -3.576 -8.401 -4.292 1.00 0.00 N ATOM 362 CA LYS A 28 -4.732 -9.341 -4.274 1.00 0.00 C ATOM 363 C LYS A 28 -4.659 -10.243 -3.037 1.00 0.00 C ATOM 364 O LYS A 28 -5.667 -10.686 -2.523 1.00 0.00 O ATOM 365 CB LYS A 28 -4.602 -10.162 -5.560 1.00 0.00 C ATOM 366 CG LYS A 28 -3.386 -11.086 -5.463 1.00 0.00 C ATOM 367 CD LYS A 28 -3.357 -12.020 -6.675 1.00 0.00 C ATOM 368 CE LYS A 28 -3.339 -11.189 -7.960 1.00 0.00 C ATOM 369 NZ LYS A 28 -3.008 -12.164 -9.036 1.00 0.00 N ATOM 0 H LYS A 28 -2.913 -8.542 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.689 -8.821 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.506 -10.750 -5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.498 -9.498 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.470 -10.496 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.431 -11.668 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.477 -12.662 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.229 -12.674 -6.664 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.304 -10.715 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.597 -10.392 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.976 -11.673 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.081 -12.594 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.735 -12.907 -9.067 1.00 0.00 H new ATOM 383 N GLU A 29 -3.478 -10.522 -2.558 1.00 0.00 N ATOM 384 CA GLU A 29 -3.352 -11.401 -1.358 1.00 0.00 C ATOM 385 C GLU A 29 -3.319 -10.546 -0.087 1.00 0.00 C ATOM 386 O GLU A 29 -3.593 -11.021 0.997 1.00 0.00 O ATOM 387 CB GLU A 29 -2.031 -12.155 -1.545 1.00 0.00 C ATOM 388 CG GLU A 29 -0.853 -11.187 -1.399 1.00 0.00 C ATOM 389 CD GLU A 29 0.457 -11.903 -1.732 1.00 0.00 C ATOM 390 OE1 GLU A 29 0.419 -12.826 -2.529 1.00 0.00 O ATOM 391 OE2 GLU A 29 1.476 -11.516 -1.184 1.00 0.00 O ATOM 0 H GLU A 29 -2.597 -10.181 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.191 -12.089 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.950 -12.953 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.007 -12.625 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.989 -10.333 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.816 -10.797 -0.382 1.00 0.00 H new ATOM 398 N CYS A 30 -2.982 -9.292 -0.211 1.00 0.00 N ATOM 399 CA CYS A 30 -2.929 -8.414 0.993 1.00 0.00 C ATOM 400 C CYS A 30 -4.331 -7.897 1.323 1.00 0.00 C ATOM 401 O CYS A 30 -4.855 -8.137 2.393 1.00 0.00 O ATOM 402 CB CYS A 30 -2.003 -7.259 0.607 1.00 0.00 C ATOM 403 SG CYS A 30 -1.961 -6.046 1.950 1.00 0.00 S ATOM 0 H CYS A 30 -2.741 -8.837 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.567 -8.941 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.999 -7.634 0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.354 -6.789 -0.312 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.748 -5.052 1.662 1.00 0.00 H new ATOM 409 N PHE A 31 -4.941 -7.186 0.415 1.00 0.00 N ATOM 410 CA PHE A 31 -6.306 -6.652 0.683 1.00 0.00 C ATOM 411 C PHE A 31 -7.260 -7.803 1.013 1.00 0.00 C ATOM 412 O PHE A 31 -8.180 -7.652 1.791 1.00 0.00 O ATOM 413 CB PHE A 31 -6.723 -5.945 -0.608 1.00 0.00 C ATOM 414 CG PHE A 31 -6.202 -4.528 -0.586 1.00 0.00 C ATOM 415 CD1 PHE A 31 -6.966 -3.510 -0.005 1.00 0.00 C ATOM 416 CD2 PHE A 31 -4.951 -4.235 -1.143 1.00 0.00 C ATOM 417 CE1 PHE A 31 -6.479 -2.198 0.021 1.00 0.00 C ATOM 418 CE2 PHE A 31 -4.465 -2.922 -1.118 1.00 0.00 C ATOM 419 CZ PHE A 31 -5.229 -1.904 -0.536 1.00 0.00 C ATOM 0 H PHE A 31 -4.554 -6.952 -0.499 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.327 -5.970 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.328 -6.478 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.809 -5.945 -0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.931 -3.736 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.362 -5.021 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.068 -1.412 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.501 -2.695 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.854 -0.891 -0.517 1.00 0.00 H new ATOM 429 N THR A 32 -7.046 -8.953 0.435 1.00 0.00 N ATOM 430 CA THR A 32 -7.943 -10.108 0.729 1.00 0.00 C ATOM 431 C THR A 32 -8.039 -10.304 2.243 1.00 0.00 C ATOM 432 O THR A 32 -9.114 -10.344 2.807 1.00 0.00 O ATOM 433 CB THR A 32 -7.286 -11.326 0.068 1.00 0.00 C ATOM 434 OG1 THR A 32 -5.910 -11.059 -0.170 1.00 0.00 O ATOM 435 CG2 THR A 32 -7.986 -11.629 -1.257 1.00 0.00 C ATOM 0 H THR A 32 -6.292 -9.143 -0.225 1.00 0.00 H new ATOM 0 HA THR A 32 -8.954 -9.953 0.351 1.00 0.00 H new ATOM 0 HB THR A 32 -7.376 -12.187 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.792 -10.746 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.518 -12.495 -1.726 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.039 -11.841 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.900 -10.767 -1.919 1.00 0.00 H new ATOM 443 N LYS A 33 -6.921 -10.425 2.905 1.00 0.00 N ATOM 444 CA LYS A 33 -6.946 -10.617 4.383 1.00 0.00 C ATOM 445 C LYS A 33 -7.644 -9.425 5.043 1.00 0.00 C ATOM 446 O LYS A 33 -8.540 -9.586 5.847 1.00 0.00 O ATOM 447 CB LYS A 33 -5.477 -10.688 4.805 1.00 0.00 C ATOM 448 CG LYS A 33 -4.877 -12.016 4.341 1.00 0.00 C ATOM 449 CD LYS A 33 -3.404 -11.813 3.981 1.00 0.00 C ATOM 450 CE LYS A 33 -2.801 -13.143 3.523 1.00 0.00 C ATOM 451 NZ LYS A 33 -1.818 -12.768 2.469 1.00 0.00 N ATOM 0 H LYS A 33 -5.991 -10.399 2.486 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.489 -11.514 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.923 -9.855 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.394 -10.598 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.970 -12.764 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.425 -12.393 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.311 -11.068 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.857 -11.432 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.317 -13.664 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.567 -13.811 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.459 -13.628 2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.282 -12.163 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.026 -12.250 2.901 1.00 0.00 H new ATOM 465 N PHE A 34 -7.239 -8.229 4.710 1.00 0.00 N ATOM 466 CA PHE A 34 -7.881 -7.030 5.318 1.00 0.00 C ATOM 467 C PHE A 34 -9.402 -7.138 5.183 1.00 0.00 C ATOM 468 O PHE A 34 -10.135 -6.921 6.126 1.00 0.00 O ATOM 469 CB PHE A 34 -7.347 -5.838 4.520 1.00 0.00 C ATOM 470 CG PHE A 34 -7.379 -4.597 5.382 1.00 0.00 C ATOM 471 CD1 PHE A 34 -6.868 -4.635 6.685 1.00 0.00 C ATOM 472 CD2 PHE A 34 -7.919 -3.407 4.877 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.898 -3.485 7.483 1.00 0.00 C ATOM 474 CE2 PHE A 34 -7.949 -2.258 5.675 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.438 -2.297 6.978 1.00 0.00 C ATOM 0 H PHE A 34 -6.492 -8.031 4.044 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.658 -6.929 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.328 -6.037 4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.950 -5.687 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.451 -5.552 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.312 -3.376 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.504 -3.515 8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.366 -1.341 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.461 -1.410 7.593 1.00 0.00 H new ATOM 485 N LEU A 35 -9.881 -7.471 4.016 1.00 0.00 N ATOM 486 CA LEU A 35 -11.354 -7.591 3.822 1.00 0.00 C ATOM 487 C LEU A 35 -11.914 -8.678 4.744 1.00 0.00 C ATOM 488 O LEU A 35 -12.927 -8.497 5.389 1.00 0.00 O ATOM 489 CB LEU A 35 -11.536 -7.982 2.354 1.00 0.00 C ATOM 490 CG LEU A 35 -11.010 -6.860 1.458 1.00 0.00 C ATOM 491 CD1 LEU A 35 -10.651 -7.430 0.085 1.00 0.00 C ATOM 492 CD2 LEU A 35 -12.092 -5.790 1.298 1.00 0.00 C ATOM 0 H LEU A 35 -9.317 -7.665 3.189 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.880 -6.666 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.002 -8.909 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.590 -8.166 2.144 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.123 -6.417 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.276 -6.631 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.883 -8.195 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.538 -7.871 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.720 -4.989 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.978 -6.234 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.350 -5.384 2.276 1.00 0.00 H new ATOM 504 N SER A 36 -11.264 -9.808 4.808 1.00 0.00 N ATOM 505 CA SER A 36 -11.763 -10.905 5.686 1.00 0.00 C ATOM 506 C SER A 36 -11.635 -10.493 7.155 1.00 0.00 C ATOM 507 O SER A 36 -12.595 -10.512 7.900 1.00 0.00 O ATOM 508 CB SER A 36 -10.868 -12.105 5.379 1.00 0.00 C ATOM 509 OG SER A 36 -9.617 -11.936 6.032 1.00 0.00 O ATOM 0 H SER A 36 -10.410 -10.019 4.291 1.00 0.00 H new ATOM 0 HA SER A 36 -12.814 -11.135 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.346 -13.025 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.720 -12.197 4.303 1.00 0.00 H new ATOM 0 HG SER A 36 -9.173 -11.133 5.687 1.00 0.00 H new ATOM 515 N ALA A 37 -10.458 -10.123 7.579 1.00 0.00 N ATOM 516 CA ALA A 37 -10.272 -9.713 9.000 1.00 0.00 C ATOM 517 C ALA A 37 -11.143 -8.492 9.303 1.00 0.00 C ATOM 518 O ALA A 37 -11.539 -8.262 10.429 1.00 0.00 O ATOM 519 CB ALA A 37 -8.788 -9.365 9.128 1.00 0.00 C ATOM 0 H ALA A 37 -9.617 -10.087 7.003 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.560 -10.496 9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.574 -9.053 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.187 -10.240 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.544 -8.553 8.443 1.00 0.00 H new ATOM 525 N HIS A 38 -11.446 -7.707 8.306 1.00 0.00 N ATOM 526 CA HIS A 38 -12.291 -6.503 8.534 1.00 0.00 C ATOM 527 C HIS A 38 -13.512 -6.541 7.610 1.00 0.00 C ATOM 528 O HIS A 38 -13.405 -6.385 6.410 1.00 0.00 O ATOM 529 CB HIS A 38 -11.395 -5.309 8.199 1.00 0.00 C ATOM 530 CG HIS A 38 -10.127 -5.392 9.003 1.00 0.00 C ATOM 531 ND1 HIS A 38 -9.070 -6.267 8.962 1.00 0.00 N flip ATOM 532 CD2 HIS A 38 -9.830 -4.487 10.010 1.00 0.00 C flip ATOM 533 CE1 HIS A 38 -8.131 -5.912 9.926 1.00 0.00 C flip ATOM 534 NE2 HIS A 38 -8.638 -4.834 10.529 1.00 0.00 N flip ATOM 0 H HIS A 38 -11.144 -7.848 7.342 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.664 -6.447 9.557 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.163 -5.302 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.916 -4.377 8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -10.444 -3.655 10.321 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.193 -6.403 10.140 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -8.178 -4.335 11.290 1.00 0.00 H new ATOM 543 N HIS A 39 -14.675 -6.739 8.171 1.00 0.00 N ATOM 544 CA HIS A 39 -15.911 -6.778 7.340 1.00 0.00 C ATOM 545 C HIS A 39 -16.492 -5.366 7.212 1.00 0.00 C ATOM 546 O HIS A 39 -17.403 -5.130 6.445 1.00 0.00 O ATOM 547 CB HIS A 39 -16.875 -7.693 8.097 1.00 0.00 C ATOM 548 CG HIS A 39 -16.529 -9.130 7.816 1.00 0.00 C ATOM 549 ND1 HIS A 39 -17.111 -10.179 8.511 1.00 0.00 N ATOM 550 CD2 HIS A 39 -15.664 -9.707 6.920 1.00 0.00 C ATOM 551 CE1 HIS A 39 -16.593 -11.322 8.026 1.00 0.00 C ATOM 552 NE2 HIS A 39 -15.706 -11.092 7.054 1.00 0.00 N ATOM 0 H HIS A 39 -14.822 -6.876 9.171 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.724 -7.142 6.330 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.815 -7.496 9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -17.902 -7.489 7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.045 -9.168 6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.862 -12.306 8.380 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -15.174 -11.782 6.524 1.00 0.00 H new ATOM 561 N ASP A 40 -15.970 -4.422 7.950 1.00 0.00 N ATOM 562 CA ASP A 40 -16.494 -3.030 7.856 1.00 0.00 C ATOM 563 C ASP A 40 -15.864 -2.325 6.651 1.00 0.00 C ATOM 564 O ASP A 40 -16.341 -1.303 6.200 1.00 0.00 O ATOM 565 CB ASP A 40 -16.075 -2.352 9.162 1.00 0.00 C ATOM 566 CG ASP A 40 -14.549 -2.337 9.278 1.00 0.00 C ATOM 567 OD1 ASP A 40 -13.946 -1.407 8.769 1.00 0.00 O ATOM 568 OD2 ASP A 40 -14.011 -3.257 9.872 1.00 0.00 O ATOM 0 H ASP A 40 -15.205 -4.555 8.612 1.00 0.00 H new ATOM 0 HA ASP A 40 -17.575 -2.998 7.721 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.460 -1.333 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.507 -2.881 10.011 1.00 0.00 H new ATOM 573 N MET A 41 -14.793 -2.861 6.127 1.00 0.00 N ATOM 574 CA MET A 41 -14.136 -2.217 4.954 1.00 0.00 C ATOM 575 C MET A 41 -14.453 -3.009 3.683 1.00 0.00 C ATOM 576 O MET A 41 -14.294 -2.521 2.582 1.00 0.00 O ATOM 577 CB MET A 41 -12.638 -2.257 5.259 1.00 0.00 C ATOM 578 CG MET A 41 -12.238 -0.995 6.025 1.00 0.00 C ATOM 579 SD MET A 41 -12.487 0.456 4.972 1.00 0.00 S ATOM 580 CE MET A 41 -11.345 1.560 5.837 1.00 0.00 C ATOM 0 H MET A 41 -14.346 -3.715 6.461 1.00 0.00 H new ATOM 0 HA MET A 41 -14.483 -1.197 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 41 -12.400 -3.143 5.848 1.00 0.00 H new ATOM 0 HB3 MET A 41 -12.069 -2.328 4.332 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.833 -0.904 6.934 1.00 0.00 H new ATOM 0 HG3 MET A 41 -11.194 -1.059 6.333 1.00 0.00 H new ATOM 0 HE1 MET A 41 -11.379 2.549 5.380 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.635 1.634 6.885 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.332 1.163 5.768 1.00 0.00 H new ATOM 590 N ALA A 42 -14.901 -4.226 3.821 1.00 0.00 N ATOM 591 CA ALA A 42 -15.226 -5.034 2.613 1.00 0.00 C ATOM 592 C ALA A 42 -16.204 -4.254 1.732 1.00 0.00 C ATOM 593 O ALA A 42 -15.980 -4.069 0.552 1.00 0.00 O ATOM 594 CB ALA A 42 -15.872 -6.314 3.143 1.00 0.00 C ATOM 0 H ALA A 42 -15.056 -4.694 4.714 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.348 -5.258 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.139 -6.960 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.169 -6.834 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.770 -6.062 3.707 1.00 0.00 H new ATOM 600 N ALA A 43 -17.284 -3.788 2.299 1.00 0.00 N ATOM 601 CA ALA A 43 -18.269 -3.011 1.495 1.00 0.00 C ATOM 602 C ALA A 43 -17.625 -1.702 1.038 1.00 0.00 C ATOM 603 O ALA A 43 -17.980 -1.145 0.018 1.00 0.00 O ATOM 604 CB ALA A 43 -19.440 -2.741 2.442 1.00 0.00 C ATOM 0 H ALA A 43 -17.526 -3.912 3.282 1.00 0.00 H new ATOM 0 HA ALA A 43 -18.598 -3.542 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.207 -2.171 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.860 -3.688 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.088 -2.171 3.302 1.00 0.00 H new ATOM 610 N VAL A 44 -16.674 -1.210 1.785 1.00 0.00 N ATOM 611 CA VAL A 44 -15.997 0.059 1.396 1.00 0.00 C ATOM 612 C VAL A 44 -15.143 -0.192 0.148 1.00 0.00 C ATOM 613 O VAL A 44 -15.289 0.469 -0.860 1.00 0.00 O ATOM 614 CB VAL A 44 -15.132 0.433 2.609 1.00 0.00 C ATOM 615 CG1 VAL A 44 -14.025 1.408 2.195 1.00 0.00 C ATOM 616 CG2 VAL A 44 -16.012 1.093 3.673 1.00 0.00 C ATOM 0 H VAL A 44 -16.337 -1.633 2.649 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.691 0.863 1.150 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.676 -0.472 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.421 1.663 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.393 0.942 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.472 2.314 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.402 1.360 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.470 1.992 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.793 0.398 3.982 1.00 0.00 H new ATOM 626 N PHE A 45 -14.255 -1.146 0.210 1.00 0.00 N ATOM 627 CA PHE A 45 -13.396 -1.442 -0.969 1.00 0.00 C ATOM 628 C PHE A 45 -14.277 -1.773 -2.175 1.00 0.00 C ATOM 629 O PHE A 45 -13.905 -1.550 -3.310 1.00 0.00 O ATOM 630 CB PHE A 45 -12.561 -2.655 -0.561 1.00 0.00 C ATOM 631 CG PHE A 45 -11.459 -2.220 0.374 1.00 0.00 C ATOM 632 CD1 PHE A 45 -10.514 -1.278 -0.048 1.00 0.00 C ATOM 633 CD2 PHE A 45 -11.381 -2.762 1.662 1.00 0.00 C ATOM 634 CE1 PHE A 45 -9.490 -0.877 0.819 1.00 0.00 C ATOM 635 CE2 PHE A 45 -10.357 -2.361 2.529 1.00 0.00 C ATOM 636 CZ PHE A 45 -9.412 -1.418 2.107 1.00 0.00 C ATOM 0 H PHE A 45 -14.088 -1.733 1.027 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.765 -0.599 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.193 -3.397 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.135 -3.130 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.574 -0.860 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.110 -3.489 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.761 -0.150 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.296 -2.779 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.623 -1.108 2.776 1.00 0.00 H new ATOM 646 N GLY A 46 -15.444 -2.306 -1.937 1.00 0.00 N ATOM 647 CA GLY A 46 -16.350 -2.655 -3.068 1.00 0.00 C ATOM 648 C GLY A 46 -16.392 -4.175 -3.225 1.00 0.00 C ATOM 649 O GLY A 46 -16.584 -4.692 -4.308 1.00 0.00 O ATOM 0 H GLY A 46 -15.810 -2.515 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.352 -2.269 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.997 -2.191 -3.989 1.00 0.00 H new ATOM 653 N PHE A 47 -16.213 -4.897 -2.152 1.00 0.00 N ATOM 654 CA PHE A 47 -16.242 -6.385 -2.241 1.00 0.00 C ATOM 655 C PHE A 47 -17.255 -6.943 -1.240 1.00 0.00 C ATOM 656 O PHE A 47 -17.790 -6.228 -0.417 1.00 0.00 O ATOM 657 CB PHE A 47 -14.828 -6.844 -1.878 1.00 0.00 C ATOM 658 CG PHE A 47 -13.814 -6.091 -2.706 1.00 0.00 C ATOM 659 CD1 PHE A 47 -14.072 -5.818 -4.054 1.00 0.00 C ATOM 660 CD2 PHE A 47 -12.614 -5.667 -2.123 1.00 0.00 C ATOM 661 CE1 PHE A 47 -13.129 -5.123 -4.820 1.00 0.00 C ATOM 662 CE2 PHE A 47 -11.671 -4.972 -2.888 1.00 0.00 C ATOM 663 CZ PHE A 47 -11.928 -4.700 -4.237 1.00 0.00 C ATOM 0 H PHE A 47 -16.048 -4.521 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 47 -16.535 -6.732 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.642 -6.674 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.728 -7.915 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.999 -6.144 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.416 -5.876 -1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.328 -4.913 -5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.745 -4.645 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.200 -4.164 -4.828 1.00 0.00 H new ATOM 673 N SER A 48 -17.514 -8.220 -1.300 1.00 0.00 N ATOM 674 CA SER A 48 -18.482 -8.832 -0.347 1.00 0.00 C ATOM 675 C SER A 48 -17.748 -9.838 0.543 1.00 0.00 C ATOM 676 O SER A 48 -18.350 -10.707 1.143 1.00 0.00 O ATOM 677 CB SER A 48 -19.520 -9.536 -1.222 1.00 0.00 C ATOM 678 OG SER A 48 -20.635 -9.904 -0.422 1.00 0.00 O ATOM 0 H SER A 48 -17.096 -8.867 -1.969 1.00 0.00 H new ATOM 0 HA SER A 48 -18.950 -8.097 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 48 -19.839 -8.877 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 48 -19.083 -10.420 -1.686 1.00 0.00 H new ATOM 0 HG SER A 48 -20.319 -10.316 0.410 1.00 0.00 H new ATOM 684 N GLY A 49 -16.450 -9.726 0.633 1.00 0.00 N ATOM 685 CA GLY A 49 -15.673 -10.673 1.481 1.00 0.00 C ATOM 686 C GLY A 49 -14.312 -10.926 0.831 1.00 0.00 C ATOM 687 O GLY A 49 -13.885 -10.196 -0.042 1.00 0.00 O ATOM 0 H GLY A 49 -15.894 -9.018 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.541 -10.261 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.217 -11.611 1.592 1.00 0.00 H new ATOM 691 N ALA A 50 -13.625 -11.953 1.248 1.00 0.00 N ATOM 692 CA ALA A 50 -12.291 -12.251 0.653 1.00 0.00 C ATOM 693 C ALA A 50 -12.453 -13.239 -0.505 1.00 0.00 C ATOM 694 O ALA A 50 -11.548 -13.980 -0.832 1.00 0.00 O ATOM 695 CB ALA A 50 -11.474 -12.873 1.786 1.00 0.00 C ATOM 0 H ALA A 50 -13.929 -12.600 1.976 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.804 -11.362 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.477 -13.120 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.395 -12.163 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.968 -13.780 2.135 1.00 0.00 H new ATOM 701 N SER A 51 -13.600 -13.255 -1.128 1.00 0.00 N ATOM 702 CA SER A 51 -13.817 -14.196 -2.264 1.00 0.00 C ATOM 703 C SER A 51 -14.179 -13.406 -3.524 1.00 0.00 C ATOM 704 O SER A 51 -14.873 -13.891 -4.394 1.00 0.00 O ATOM 705 CB SER A 51 -14.980 -15.088 -1.831 1.00 0.00 C ATOM 706 OG SER A 51 -14.664 -15.699 -0.587 1.00 0.00 O ATOM 0 H SER A 51 -14.395 -12.658 -0.900 1.00 0.00 H new ATOM 0 HA SER A 51 -12.929 -14.784 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.892 -14.498 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.170 -15.851 -2.586 1.00 0.00 H new ATOM 0 HG SER A 51 -15.408 -16.271 -0.305 1.00 0.00 H new ATOM 712 N ASP A 52 -13.713 -12.191 -3.628 1.00 0.00 N ATOM 713 CA ASP A 52 -14.031 -11.372 -4.832 1.00 0.00 C ATOM 714 C ASP A 52 -12.734 -11.002 -5.558 1.00 0.00 C ATOM 715 O ASP A 52 -11.766 -10.612 -4.937 1.00 0.00 O ATOM 716 CB ASP A 52 -14.728 -10.120 -4.295 1.00 0.00 C ATOM 717 CG ASP A 52 -16.161 -10.051 -4.825 1.00 0.00 C ATOM 718 OD1 ASP A 52 -16.744 -11.101 -5.038 1.00 0.00 O ATOM 719 OD2 ASP A 52 -16.651 -8.949 -5.008 1.00 0.00 O ATOM 0 H ASP A 52 -13.126 -11.731 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.661 -11.904 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.735 -10.137 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.177 -9.229 -4.596 1.00 0.00 H new ATOM 724 N PRO A 53 -12.760 -11.139 -6.857 1.00 0.00 N ATOM 725 CA PRO A 53 -11.548 -10.805 -7.653 1.00 0.00 C ATOM 726 C PRO A 53 -11.262 -9.304 -7.569 1.00 0.00 C ATOM 727 O PRO A 53 -10.157 -8.858 -7.807 1.00 0.00 O ATOM 728 CB PRO A 53 -11.912 -11.220 -9.078 1.00 0.00 C ATOM 729 CG PRO A 53 -13.400 -11.328 -9.111 1.00 0.00 C ATOM 730 CD PRO A 53 -13.865 -11.599 -7.708 1.00 0.00 C ATOM 0 HA PRO A 53 -10.649 -11.308 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.559 -10.484 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.447 -12.171 -9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.843 -10.407 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.711 -12.130 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.787 -11.062 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.068 -12.659 -7.555 1.00 0.00 H new ATOM 738 N GLY A 54 -12.250 -8.519 -7.233 1.00 0.00 N ATOM 739 CA GLY A 54 -12.033 -7.048 -7.136 1.00 0.00 C ATOM 740 C GLY A 54 -10.835 -6.775 -6.228 1.00 0.00 C ATOM 741 O GLY A 54 -10.064 -5.864 -6.455 1.00 0.00 O ATOM 0 H GLY A 54 -13.197 -8.833 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.857 -6.628 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.924 -6.562 -6.738 1.00 0.00 H new ATOM 745 N VAL A 55 -10.672 -7.559 -5.199 1.00 0.00 N ATOM 746 CA VAL A 55 -9.522 -7.346 -4.275 1.00 0.00 C ATOM 747 C VAL A 55 -8.221 -7.317 -5.079 1.00 0.00 C ATOM 748 O VAL A 55 -7.351 -6.502 -4.842 1.00 0.00 O ATOM 749 CB VAL A 55 -9.547 -8.539 -3.320 1.00 0.00 C ATOM 750 CG1 VAL A 55 -8.399 -8.414 -2.315 1.00 0.00 C ATOM 751 CG2 VAL A 55 -10.880 -8.559 -2.571 1.00 0.00 C ATOM 0 H VAL A 55 -11.285 -8.338 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.587 -6.403 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.432 -9.463 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.417 -9.265 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.449 -8.396 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.513 -7.491 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.901 -9.409 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.992 -7.635 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.698 -8.647 -3.286 1.00 0.00 H new ATOM 761 N ALA A 56 -8.081 -8.199 -6.030 1.00 0.00 N ATOM 762 CA ALA A 56 -6.837 -8.218 -6.850 1.00 0.00 C ATOM 763 C ALA A 56 -6.778 -6.957 -7.713 1.00 0.00 C ATOM 764 O ALA A 56 -5.726 -6.551 -8.166 1.00 0.00 O ATOM 765 CB ALA A 56 -6.948 -9.470 -7.723 1.00 0.00 C ATOM 0 H ALA A 56 -8.774 -8.907 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.933 -8.238 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.065 -9.551 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.021 -10.352 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.838 -9.400 -8.349 1.00 0.00 H new ATOM 771 N ASP A 57 -7.901 -6.332 -7.942 1.00 0.00 N ATOM 772 CA ASP A 57 -7.912 -5.096 -8.773 1.00 0.00 C ATOM 773 C ASP A 57 -7.495 -3.899 -7.915 1.00 0.00 C ATOM 774 O ASP A 57 -6.808 -3.006 -8.370 1.00 0.00 O ATOM 775 CB ASP A 57 -9.356 -4.944 -9.253 1.00 0.00 C ATOM 776 CG ASP A 57 -9.483 -5.434 -10.696 1.00 0.00 C ATOM 777 OD1 ASP A 57 -9.040 -4.723 -11.583 1.00 0.00 O ATOM 778 OD2 ASP A 57 -10.021 -6.512 -10.890 1.00 0.00 O ATOM 0 H ASP A 57 -8.812 -6.625 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.219 -5.150 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.024 -5.513 -8.607 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.662 -3.900 -9.187 1.00 0.00 H new ATOM 783 N LEU A 58 -7.905 -3.874 -6.676 1.00 0.00 N ATOM 784 CA LEU A 58 -7.529 -2.734 -5.793 1.00 0.00 C ATOM 785 C LEU A 58 -6.068 -2.881 -5.361 1.00 0.00 C ATOM 786 O LEU A 58 -5.238 -2.043 -5.654 1.00 0.00 O ATOM 787 CB LEU A 58 -8.464 -2.827 -4.585 1.00 0.00 C ATOM 788 CG LEU A 58 -9.397 -1.613 -4.561 1.00 0.00 C ATOM 789 CD1 LEU A 58 -10.225 -1.628 -3.277 1.00 0.00 C ATOM 790 CD2 LEU A 58 -8.569 -0.326 -4.611 1.00 0.00 C ATOM 0 H LEU A 58 -8.483 -4.592 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.624 -1.771 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.048 -3.746 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.882 -2.869 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.060 -1.654 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.888 -0.763 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.819 -2.541 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.560 -1.590 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.235 0.536 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.904 -0.288 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.978 -0.309 -5.526 1.00 0.00 H new ATOM 802 N GLY A 59 -5.746 -3.939 -4.667 1.00 0.00 N ATOM 803 CA GLY A 59 -4.337 -4.138 -4.220 1.00 0.00 C ATOM 804 C GLY A 59 -3.399 -3.948 -5.414 1.00 0.00 C ATOM 805 O GLY A 59 -2.438 -3.207 -5.349 1.00 0.00 O ATOM 0 H GLY A 59 -6.397 -4.674 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.089 -3.428 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.213 -5.136 -3.800 1.00 0.00 H new ATOM 809 N ALA A 60 -3.671 -4.611 -6.505 1.00 0.00 N ATOM 810 CA ALA A 60 -2.795 -4.464 -7.702 1.00 0.00 C ATOM 811 C ALA A 60 -2.667 -2.983 -8.062 1.00 0.00 C ATOM 812 O ALA A 60 -1.620 -2.520 -8.468 1.00 0.00 O ATOM 813 CB ALA A 60 -3.503 -5.235 -8.817 1.00 0.00 C ATOM 0 H ALA A 60 -4.460 -5.247 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.788 -4.845 -7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.915 -5.172 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.610 -6.280 -8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.489 -4.804 -8.988 1.00 0.00 H new ATOM 819 N LYS A 61 -3.726 -2.235 -7.912 1.00 0.00 N ATOM 820 CA LYS A 61 -3.667 -0.783 -8.242 1.00 0.00 C ATOM 821 C LYS A 61 -3.020 -0.022 -7.084 1.00 0.00 C ATOM 822 O LYS A 61 -2.438 1.029 -7.266 1.00 0.00 O ATOM 823 CB LYS A 61 -5.123 -0.353 -8.429 1.00 0.00 C ATOM 824 CG LYS A 61 -5.474 -0.367 -9.918 1.00 0.00 C ATOM 825 CD LYS A 61 -6.994 -0.311 -10.084 1.00 0.00 C ATOM 826 CE LYS A 61 -7.373 -0.786 -11.489 1.00 0.00 C ATOM 827 NZ LYS A 61 -8.705 -0.172 -11.748 1.00 0.00 N ATOM 0 H LYS A 61 -4.630 -2.567 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.075 -0.579 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.785 -1.025 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.274 0.646 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.011 0.483 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.079 -1.268 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.476 -0.939 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.351 0.707 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.638 -0.465 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.421 -1.874 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.037 -0.449 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.384 -0.501 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.625 0.864 -11.699 1.00 0.00 H new ATOM 841 N VAL A 62 -3.116 -0.544 -5.891 1.00 0.00 N ATOM 842 CA VAL A 62 -2.506 0.150 -4.722 1.00 0.00 C ATOM 843 C VAL A 62 -1.014 -0.180 -4.652 1.00 0.00 C ATOM 844 O VAL A 62 -0.182 0.696 -4.521 1.00 0.00 O ATOM 845 CB VAL A 62 -3.243 -0.396 -3.499 1.00 0.00 C ATOM 846 CG1 VAL A 62 -2.716 0.289 -2.237 1.00 0.00 C ATOM 847 CG2 VAL A 62 -4.741 -0.118 -3.641 1.00 0.00 C ATOM 0 H VAL A 62 -3.591 -1.421 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.594 1.235 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.077 -1.471 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.242 -0.100 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.649 0.092 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.882 1.364 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.267 -0.507 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.906 0.957 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.118 -0.606 -4.540 1.00 0.00 H new ATOM 857 N LEU A 63 -0.667 -1.437 -4.740 1.00 0.00 N ATOM 858 CA LEU A 63 0.774 -1.818 -4.682 1.00 0.00 C ATOM 859 C LEU A 63 1.581 -0.925 -5.627 1.00 0.00 C ATOM 860 O LEU A 63 2.615 -0.400 -5.270 1.00 0.00 O ATOM 861 CB LEU A 63 0.822 -3.276 -5.144 1.00 0.00 C ATOM 862 CG LEU A 63 0.963 -4.195 -3.930 1.00 0.00 C ATOM 863 CD1 LEU A 63 2.261 -3.867 -3.190 1.00 0.00 C ATOM 864 CD2 LEU A 63 -0.226 -3.985 -2.991 1.00 0.00 C ATOM 0 H LEU A 63 -1.318 -2.215 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 63 1.198 -1.700 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.085 -3.523 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.660 -3.425 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 63 0.986 -5.233 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.362 -4.522 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.109 -4.016 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.239 -2.829 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.126 -4.640 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.249 -2.947 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.151 -4.219 -3.518 1.00 0.00 H new ATOM 876 N ALA A 64 1.113 -0.747 -6.832 1.00 0.00 N ATOM 877 CA ALA A 64 1.853 0.112 -7.799 1.00 0.00 C ATOM 878 C ALA A 64 2.202 1.450 -7.144 1.00 0.00 C ATOM 879 O ALA A 64 3.342 1.872 -7.146 1.00 0.00 O ATOM 880 CB ALA A 64 0.895 0.315 -8.974 1.00 0.00 C ATOM 0 H ALA A 64 0.251 -1.159 -7.188 1.00 0.00 H new ATOM 0 HA ALA A 64 2.791 -0.339 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.372 0.940 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.644 -0.652 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.015 0.802 -8.622 1.00 0.00 H new ATOM 886 N GLN A 65 1.235 2.124 -6.581 1.00 0.00 N ATOM 887 CA GLN A 65 1.528 3.433 -5.928 1.00 0.00 C ATOM 888 C GLN A 65 2.701 3.266 -4.963 1.00 0.00 C ATOM 889 O GLN A 65 3.621 4.059 -4.944 1.00 0.00 O ATOM 890 CB GLN A 65 0.249 3.810 -5.175 1.00 0.00 C ATOM 891 CG GLN A 65 0.485 5.091 -4.370 1.00 0.00 C ATOM 892 CD GLN A 65 1.047 6.190 -5.276 1.00 0.00 C ATOM 893 OE1 GLN A 65 1.778 7.049 -4.827 1.00 0.00 O ATOM 894 NE2 GLN A 65 0.735 6.197 -6.543 1.00 0.00 N ATOM 0 H GLN A 65 0.260 1.827 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 65 1.804 4.207 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.570 3.957 -5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.045 2.999 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.450 5.424 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.179 4.893 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.121 5.476 -6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.105 6.924 -7.155 1.00 0.00 H new ATOM 903 N ILE A 66 2.680 2.234 -4.167 1.00 0.00 N ATOM 904 CA ILE A 66 3.800 2.010 -3.214 1.00 0.00 C ATOM 905 C ILE A 66 5.111 1.915 -3.996 1.00 0.00 C ATOM 906 O ILE A 66 6.134 2.419 -3.579 1.00 0.00 O ATOM 907 CB ILE A 66 3.472 0.688 -2.520 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.157 0.839 -1.749 1.00 0.00 C ATOM 909 CG2 ILE A 66 4.598 0.321 -1.551 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.875 -0.439 -0.960 1.00 0.00 C ATOM 0 H ILE A 66 1.936 1.537 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 66 3.915 2.816 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 66 3.372 -0.101 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.217 1.691 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.339 1.039 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.361 -0.622 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.533 0.217 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.703 1.106 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.939 -0.329 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.797 -1.281 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.688 -0.619 -0.257 1.00 0.00 H new ATOM 922 N GLY A 67 5.082 1.279 -5.136 1.00 0.00 N ATOM 923 CA GLY A 67 6.321 1.157 -5.955 1.00 0.00 C ATOM 924 C GLY A 67 6.761 2.552 -6.401 1.00 0.00 C ATOM 925 O GLY A 67 7.884 2.960 -6.181 1.00 0.00 O ATOM 0 H GLY A 67 4.253 0.839 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.111 0.681 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.138 0.524 -6.823 1.00 0.00 H new ATOM 929 N VAL A 68 5.883 3.287 -7.027 1.00 0.00 N ATOM 930 CA VAL A 68 6.249 4.656 -7.487 1.00 0.00 C ATOM 931 C VAL A 68 6.728 5.484 -6.293 1.00 0.00 C ATOM 932 O VAL A 68 7.544 6.375 -6.430 1.00 0.00 O ATOM 933 CB VAL A 68 4.963 5.243 -8.072 1.00 0.00 C ATOM 934 CG1 VAL A 68 5.223 6.674 -8.545 1.00 0.00 C ATOM 935 CG2 VAL A 68 4.509 4.390 -9.258 1.00 0.00 C ATOM 0 H VAL A 68 4.928 2.998 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 68 7.053 4.650 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 68 4.186 5.249 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.306 7.092 -8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.548 7.283 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.000 6.669 -9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.593 4.807 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.287 4.385 -10.022 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.323 3.370 -8.922 1.00 0.00 H new ATOM 945 N ALA A 69 6.227 5.197 -5.124 1.00 0.00 N ATOM 946 CA ALA A 69 6.652 5.967 -3.922 1.00 0.00 C ATOM 947 C ALA A 69 7.962 5.391 -3.378 1.00 0.00 C ATOM 948 O ALA A 69 8.778 6.099 -2.822 1.00 0.00 O ATOM 949 CB ALA A 69 5.516 5.791 -2.913 1.00 0.00 C ATOM 0 H ALA A 69 5.541 4.462 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 69 6.832 7.020 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.756 6.331 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.591 6.184 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.391 4.732 -2.687 1.00 0.00 H new ATOM 955 N VAL A 70 8.171 4.111 -3.534 1.00 0.00 N ATOM 956 CA VAL A 70 9.431 3.496 -3.026 1.00 0.00 C ATOM 957 C VAL A 70 10.634 4.124 -3.736 1.00 0.00 C ATOM 958 O VAL A 70 11.755 4.028 -3.279 1.00 0.00 O ATOM 959 CB VAL A 70 9.317 2.004 -3.357 1.00 0.00 C ATOM 960 CG1 VAL A 70 10.668 1.319 -3.133 1.00 0.00 C ATOM 961 CG2 VAL A 70 8.269 1.361 -2.445 1.00 0.00 C ATOM 0 H VAL A 70 7.525 3.466 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 70 9.571 3.654 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 70 9.021 1.888 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.582 0.258 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.419 1.775 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.967 1.435 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.186 0.300 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.569 1.481 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.304 1.844 -2.602 1.00 0.00 H new ATOM 971 N SER A 71 10.412 4.764 -4.851 1.00 0.00 N ATOM 972 CA SER A 71 11.546 5.393 -5.586 1.00 0.00 C ATOM 973 C SER A 71 11.761 6.830 -5.095 1.00 0.00 C ATOM 974 O SER A 71 12.652 7.519 -5.549 1.00 0.00 O ATOM 975 CB SER A 71 11.126 5.381 -7.056 1.00 0.00 C ATOM 976 OG SER A 71 12.249 5.048 -7.862 1.00 0.00 O ATOM 0 H SER A 71 9.496 4.879 -5.285 1.00 0.00 H new ATOM 0 HA SER A 71 12.485 4.861 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.325 4.658 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.735 6.357 -7.342 1.00 0.00 H new ATOM 0 HG SER A 71 11.983 5.038 -8.805 1.00 0.00 H new ATOM 982 N HIS A 72 10.955 7.292 -4.175 1.00 0.00 N ATOM 983 CA HIS A 72 11.127 8.685 -3.671 1.00 0.00 C ATOM 984 C HIS A 72 11.007 8.707 -2.145 1.00 0.00 C ATOM 985 O HIS A 72 10.244 9.470 -1.586 1.00 0.00 O ATOM 986 CB HIS A 72 9.995 9.487 -4.314 1.00 0.00 C ATOM 987 CG HIS A 72 10.178 9.512 -5.806 1.00 0.00 C ATOM 988 ND1 HIS A 72 11.432 9.526 -6.398 1.00 0.00 N ATOM 989 CD2 HIS A 72 9.275 9.527 -6.841 1.00 0.00 C ATOM 990 CE1 HIS A 72 11.251 9.547 -7.731 1.00 0.00 C ATOM 991 NE2 HIS A 72 9.955 9.549 -8.055 1.00 0.00 N ATOM 0 H HIS A 72 10.189 6.767 -3.753 1.00 0.00 H new ATOM 0 HA HIS A 72 12.104 9.098 -3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 72 9.032 9.042 -4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 72 9.988 10.504 -3.921 1.00 0.00 H new ATOM 0 HD1 HIS A 72 12.328 9.521 -5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 72 8.201 9.522 -6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 72 12.056 9.561 -8.451 1.00 0.00 H new ATOM 1000 N LEU A 73 11.756 7.882 -1.464 1.00 0.00 N ATOM 1001 CA LEU A 73 11.681 7.867 0.026 1.00 0.00 C ATOM 1002 C LEU A 73 12.750 8.799 0.599 1.00 0.00 C ATOM 1003 O LEU A 73 12.549 9.441 1.611 1.00 0.00 O ATOM 1004 CB LEU A 73 11.944 6.415 0.434 1.00 0.00 C ATOM 1005 CG LEU A 73 10.971 5.488 -0.298 1.00 0.00 C ATOM 1006 CD1 LEU A 73 11.111 4.067 0.250 1.00 0.00 C ATOM 1007 CD2 LEU A 73 9.533 5.973 -0.084 1.00 0.00 C ATOM 0 H LEU A 73 12.415 7.219 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 73 10.717 8.211 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.972 6.141 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.826 6.303 1.512 1.00 0.00 H new ATOM 0 HG LEU A 73 11.201 5.496 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.418 3.406 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.132 3.717 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.883 4.064 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.844 5.310 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.302 5.969 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.429 6.985 -0.474 1.00 0.00 H new ATOM 1019 N GLY A 74 13.884 8.882 -0.042 1.00 0.00 N ATOM 1020 CA GLY A 74 14.961 9.778 0.464 1.00 0.00 C ATOM 1021 C GLY A 74 14.570 11.228 0.177 1.00 0.00 C ATOM 1022 O GLY A 74 14.978 12.142 0.866 1.00 0.00 O ATOM 0 H GLY A 74 14.111 8.368 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.103 9.630 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.908 9.540 -0.019 1.00 0.00 H new ATOM 1026 N ASP A 75 13.776 11.443 -0.836 1.00 0.00 N ATOM 1027 CA ASP A 75 13.348 12.830 -1.172 1.00 0.00 C ATOM 1028 C ASP A 75 11.821 12.885 -1.246 1.00 0.00 C ATOM 1029 O ASP A 75 11.229 12.619 -2.273 1.00 0.00 O ATOM 1030 CB ASP A 75 13.970 13.124 -2.539 1.00 0.00 C ATOM 1031 CG ASP A 75 15.463 13.417 -2.384 1.00 0.00 C ATOM 1032 OD1 ASP A 75 15.789 14.483 -1.889 1.00 0.00 O ATOM 1033 OD2 ASP A 75 16.255 12.570 -2.762 1.00 0.00 O ATOM 0 H ASP A 75 13.404 10.716 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 75 13.665 13.561 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.826 12.272 -3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.470 13.976 -2.999 1.00 0.00 H new ATOM 1038 N GLU A 76 11.177 13.224 -0.162 1.00 0.00 N ATOM 1039 CA GLU A 76 9.688 13.291 -0.169 1.00 0.00 C ATOM 1040 C GLU A 76 9.234 14.708 -0.524 1.00 0.00 C ATOM 1041 O GLU A 76 8.236 15.192 -0.028 1.00 0.00 O ATOM 1042 CB GLU A 76 9.264 12.926 1.254 1.00 0.00 C ATOM 1043 CG GLU A 76 9.902 13.902 2.244 1.00 0.00 C ATOM 1044 CD GLU A 76 8.939 14.181 3.400 1.00 0.00 C ATOM 1045 OE1 GLU A 76 7.775 14.427 3.129 1.00 0.00 O ATOM 1046 OE2 GLU A 76 9.382 14.143 4.536 1.00 0.00 O ATOM 0 H GLU A 76 11.618 13.457 0.728 1.00 0.00 H new ATOM 0 HA GLU A 76 9.244 12.619 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.178 12.961 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.570 11.906 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.833 13.486 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.154 14.834 1.737 1.00 0.00 H new ATOM 1053 N GLY A 77 9.956 15.377 -1.380 1.00 0.00 N ATOM 1054 CA GLY A 77 9.561 16.761 -1.766 1.00 0.00 C ATOM 1055 C GLY A 77 8.545 16.692 -2.908 1.00 0.00 C ATOM 1056 O GLY A 77 7.808 17.627 -3.152 1.00 0.00 O ATOM 0 H GLY A 77 10.802 15.026 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.130 17.281 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.438 17.329 -2.077 1.00 0.00 H new ATOM 1060 N LYS A 78 8.499 15.593 -3.611 1.00 0.00 N ATOM 1061 CA LYS A 78 7.530 15.469 -4.736 1.00 0.00 C ATOM 1062 C LYS A 78 6.665 14.220 -4.544 1.00 0.00 C ATOM 1063 O LYS A 78 5.505 14.199 -4.904 1.00 0.00 O ATOM 1064 CB LYS A 78 8.387 15.345 -5.997 1.00 0.00 C ATOM 1065 CG LYS A 78 7.484 15.384 -7.231 1.00 0.00 C ATOM 1066 CD LYS A 78 7.667 16.719 -7.956 1.00 0.00 C ATOM 1067 CE LYS A 78 8.776 16.586 -9.002 1.00 0.00 C ATOM 1068 NZ LYS A 78 8.937 17.958 -9.557 1.00 0.00 N ATOM 0 H LYS A 78 9.090 14.777 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 78 6.853 16.321 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.113 16.157 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.952 14.413 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.728 14.559 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.442 15.258 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.734 17.015 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.920 17.502 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.703 16.229 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.503 15.873 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.681 17.953 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.040 18.268 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.203 18.612 -8.794 1.00 0.00 H new ATOM 1082 N MET A 79 7.217 13.179 -3.982 1.00 0.00 N ATOM 1083 CA MET A 79 6.417 11.937 -3.772 1.00 0.00 C ATOM 1084 C MET A 79 5.096 12.290 -3.087 1.00 0.00 C ATOM 1085 O MET A 79 4.066 11.707 -3.365 1.00 0.00 O ATOM 1086 CB MET A 79 7.275 11.048 -2.870 1.00 0.00 C ATOM 1087 CG MET A 79 6.477 9.804 -2.473 1.00 0.00 C ATOM 1088 SD MET A 79 7.523 8.708 -1.483 1.00 0.00 S ATOM 1089 CE MET A 79 7.852 9.866 -0.132 1.00 0.00 C ATOM 0 H MET A 79 8.184 13.134 -3.660 1.00 0.00 H new ATOM 0 HA MET A 79 6.174 11.434 -4.708 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.188 10.757 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 79 7.577 11.599 -1.979 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.593 10.092 -1.904 1.00 0.00 H new ATOM 0 HG3 MET A 79 6.127 9.283 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.157 9.312 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.649 10.550 -0.425 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.948 10.435 0.088 1.00 0.00 H new ATOM 1099 N VAL A 80 5.116 13.241 -2.194 1.00 0.00 N ATOM 1100 CA VAL A 80 3.861 13.632 -1.494 1.00 0.00 C ATOM 1101 C VAL A 80 2.991 14.492 -2.418 1.00 0.00 C ATOM 1102 O VAL A 80 1.912 14.909 -2.051 1.00 0.00 O ATOM 1103 CB VAL A 80 4.314 14.434 -0.274 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.089 14.957 0.478 1.00 0.00 C ATOM 1105 CG2 VAL A 80 5.134 13.533 0.652 1.00 0.00 C ATOM 0 H VAL A 80 5.947 13.764 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 80 3.261 12.769 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 80 4.926 15.275 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.413 15.529 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.504 15.599 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.476 14.117 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.458 14.104 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.522 12.692 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.008 13.161 0.117 1.00 0.00 H new ATOM 1115 N ALA A 81 3.446 14.760 -3.614 1.00 0.00 N ATOM 1116 CA ALA A 81 2.633 15.589 -4.548 1.00 0.00 C ATOM 1117 C ALA A 81 1.615 14.698 -5.262 1.00 0.00 C ATOM 1118 O ALA A 81 0.532 15.128 -5.607 1.00 0.00 O ATOM 1119 CB ALA A 81 3.635 16.177 -5.543 1.00 0.00 C ATOM 0 H ALA A 81 4.342 14.441 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 81 2.076 16.374 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.108 16.801 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.368 16.781 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.145 15.368 -6.067 1.00 0.00 H new ATOM 1125 N GLU A 82 1.953 13.457 -5.483 1.00 0.00 N ATOM 1126 CA GLU A 82 1.006 12.535 -6.170 1.00 0.00 C ATOM 1127 C GLU A 82 0.207 11.754 -5.125 1.00 0.00 C ATOM 1128 O GLU A 82 -0.995 11.605 -5.231 1.00 0.00 O ATOM 1129 CB GLU A 82 1.885 11.596 -6.997 1.00 0.00 C ATOM 1130 CG GLU A 82 1.004 10.746 -7.915 1.00 0.00 C ATOM 1131 CD GLU A 82 0.865 11.424 -9.279 1.00 0.00 C ATOM 1132 OE1 GLU A 82 1.859 11.506 -9.982 1.00 0.00 O ATOM 1133 OE2 GLU A 82 -0.233 11.848 -9.598 1.00 0.00 O ATOM 0 H GLU A 82 2.846 13.042 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 82 0.289 13.062 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.595 12.173 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.468 10.953 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.440 9.754 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.021 10.610 -7.465 1.00 0.00 H new ATOM 1140 N MET A 83 0.864 11.257 -4.112 1.00 0.00 N ATOM 1141 CA MET A 83 0.143 10.491 -3.059 1.00 0.00 C ATOM 1142 C MET A 83 -0.991 11.348 -2.496 1.00 0.00 C ATOM 1143 O MET A 83 -2.123 10.915 -2.407 1.00 0.00 O ATOM 1144 CB MET A 83 1.192 10.200 -1.985 1.00 0.00 C ATOM 1145 CG MET A 83 2.120 9.085 -2.468 1.00 0.00 C ATOM 1146 SD MET A 83 2.375 7.891 -1.133 1.00 0.00 S ATOM 1147 CE MET A 83 0.683 7.249 -1.074 1.00 0.00 C ATOM 0 H MET A 83 1.870 11.349 -3.969 1.00 0.00 H new ATOM 0 HA MET A 83 -0.303 9.571 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.768 11.100 -1.771 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.705 9.905 -1.056 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.688 8.588 -3.337 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.076 9.504 -2.783 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.584 6.562 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.016 8.076 -0.950 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.461 6.722 -2.002 1.00 0.00 H new ATOM 1157 N LYS A 84 -0.699 12.564 -2.121 1.00 0.00 N ATOM 1158 CA LYS A 84 -1.766 13.449 -1.573 1.00 0.00 C ATOM 1159 C LYS A 84 -2.961 13.441 -2.524 1.00 0.00 C ATOM 1160 O LYS A 84 -4.102 13.403 -2.108 1.00 0.00 O ATOM 1161 CB LYS A 84 -1.141 14.843 -1.503 1.00 0.00 C ATOM 1162 CG LYS A 84 -0.808 15.182 -0.050 1.00 0.00 C ATOM 1163 CD LYS A 84 -0.437 16.662 0.055 1.00 0.00 C ATOM 1164 CE LYS A 84 -1.679 17.520 -0.195 1.00 0.00 C ATOM 1165 NZ LYS A 84 -1.851 18.309 1.056 1.00 0.00 N ATOM 0 H LYS A 84 0.230 12.982 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.120 13.125 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.238 14.879 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.830 15.583 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.662 14.964 0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.019 14.563 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.027 16.876 1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.338 16.906 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.543 18.171 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.554 16.902 -0.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.311 19.215 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.442 17.775 1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.920 18.488 1.484 1.00 0.00 H new ATOM 1179 N ALA A 85 -2.705 13.471 -3.803 1.00 0.00 N ATOM 1180 CA ALA A 85 -3.823 13.459 -4.784 1.00 0.00 C ATOM 1181 C ALA A 85 -4.678 12.213 -4.559 1.00 0.00 C ATOM 1182 O ALA A 85 -5.878 12.236 -4.729 1.00 0.00 O ATOM 1183 CB ALA A 85 -3.155 13.422 -6.159 1.00 0.00 C ATOM 0 H ALA A 85 -1.770 13.503 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.478 14.325 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.920 13.411 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.526 14.304 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.542 12.525 -6.242 1.00 0.00 H new ATOM 1189 N VAL A 86 -4.072 11.124 -4.170 1.00 0.00 N ATOM 1190 CA VAL A 86 -4.866 9.885 -3.931 1.00 0.00 C ATOM 1191 C VAL A 86 -5.760 10.094 -2.708 1.00 0.00 C ATOM 1192 O VAL A 86 -6.872 9.608 -2.648 1.00 0.00 O ATOM 1193 CB VAL A 86 -3.850 8.766 -3.671 1.00 0.00 C ATOM 1194 CG1 VAL A 86 -4.552 7.414 -3.809 1.00 0.00 C ATOM 1195 CG2 VAL A 86 -2.705 8.844 -4.687 1.00 0.00 C ATOM 0 H VAL A 86 -3.069 11.039 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.505 9.636 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.442 8.879 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.837 6.612 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.363 7.349 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.957 7.316 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.990 8.044 -4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.105 8.735 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.204 9.808 -4.598 1.00 0.00 H new ATOM 1205 N GLY A 87 -5.283 10.820 -1.733 1.00 0.00 N ATOM 1206 CA GLY A 87 -6.108 11.068 -0.518 1.00 0.00 C ATOM 1207 C GLY A 87 -7.342 11.875 -0.919 1.00 0.00 C ATOM 1208 O GLY A 87 -8.459 11.535 -0.583 1.00 0.00 O ATOM 0 H GLY A 87 -4.359 11.251 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.406 10.123 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.528 11.611 0.228 1.00 0.00 H new ATOM 1212 N VAL A 88 -7.146 12.942 -1.646 1.00 0.00 N ATOM 1213 CA VAL A 88 -8.304 13.774 -2.084 1.00 0.00 C ATOM 1214 C VAL A 88 -9.305 12.900 -2.845 1.00 0.00 C ATOM 1215 O VAL A 88 -10.460 13.244 -2.991 1.00 0.00 O ATOM 1216 CB VAL A 88 -7.706 14.841 -3.002 1.00 0.00 C ATOM 1217 CG1 VAL A 88 -8.832 15.677 -3.614 1.00 0.00 C ATOM 1218 CG2 VAL A 88 -6.779 15.749 -2.192 1.00 0.00 C ATOM 0 H VAL A 88 -6.233 13.274 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.839 14.223 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.138 14.359 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.406 16.438 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.493 15.030 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.400 16.159 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.352 16.510 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.346 16.231 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.977 15.154 -1.756 1.00 0.00 H new ATOM 1228 N ARG A 89 -8.870 11.770 -3.332 1.00 0.00 N ATOM 1229 CA ARG A 89 -9.793 10.869 -4.080 1.00 0.00 C ATOM 1230 C ARG A 89 -10.556 9.986 -3.091 1.00 0.00 C ATOM 1231 O ARG A 89 -11.752 9.802 -3.199 1.00 0.00 O ATOM 1232 CB ARG A 89 -8.887 10.014 -4.974 1.00 0.00 C ATOM 1233 CG ARG A 89 -8.718 10.663 -6.355 1.00 0.00 C ATOM 1234 CD ARG A 89 -8.372 12.149 -6.217 1.00 0.00 C ATOM 1235 NE ARG A 89 -7.381 12.425 -7.293 1.00 0.00 N ATOM 1236 CZ ARG A 89 -7.669 13.267 -8.246 1.00 0.00 C ATOM 1237 NH1 ARG A 89 -7.679 14.549 -8.003 1.00 0.00 N ATOM 1238 NH2 ARG A 89 -7.947 12.828 -9.443 1.00 0.00 N ATOM 0 H ARG A 89 -7.912 11.431 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.530 11.419 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.912 9.893 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.314 9.017 -5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.931 10.151 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.637 10.550 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.260 12.771 -6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.955 12.366 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.476 11.955 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.461 14.892 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.904 15.208 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -7.939 11.826 -9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.172 13.487 -10.188 1.00 0.00 H new ATOM 1252 N HIS A 90 -9.866 9.432 -2.132 1.00 0.00 N ATOM 1253 CA HIS A 90 -10.533 8.547 -1.133 1.00 0.00 C ATOM 1254 C HIS A 90 -11.551 9.339 -0.304 1.00 0.00 C ATOM 1255 O HIS A 90 -12.331 8.771 0.434 1.00 0.00 O ATOM 1256 CB HIS A 90 -9.398 8.032 -0.246 1.00 0.00 C ATOM 1257 CG HIS A 90 -8.747 6.840 -0.895 1.00 0.00 C ATOM 1258 ND1 HIS A 90 -8.365 6.841 -2.225 1.00 0.00 N ATOM 1259 CD2 HIS A 90 -8.408 5.602 -0.409 1.00 0.00 C ATOM 1260 CE1 HIS A 90 -7.824 5.638 -2.491 1.00 0.00 C ATOM 1261 NE2 HIS A 90 -7.825 4.837 -1.419 1.00 0.00 N ATOM 0 H HIS A 90 -8.863 9.555 -1.996 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.085 7.735 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.661 8.820 -0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.786 7.757 0.735 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.474 7.613 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.569 5.269 0.606 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -7.434 5.352 -3.457 1.00 0.00 H new ATOM 1269 N LYS A 91 -11.555 10.641 -0.408 1.00 0.00 N ATOM 1270 CA LYS A 91 -12.530 11.442 0.388 1.00 0.00 C ATOM 1271 C LYS A 91 -13.893 11.477 -0.317 1.00 0.00 C ATOM 1272 O LYS A 91 -14.791 12.186 0.092 1.00 0.00 O ATOM 1273 CB LYS A 91 -11.923 12.847 0.481 1.00 0.00 C ATOM 1274 CG LYS A 91 -12.000 13.540 -0.882 1.00 0.00 C ATOM 1275 CD LYS A 91 -13.212 14.473 -0.912 1.00 0.00 C ATOM 1276 CE LYS A 91 -12.958 15.611 -1.904 1.00 0.00 C ATOM 1277 NZ LYS A 91 -14.036 16.600 -1.628 1.00 0.00 N ATOM 0 H LYS A 91 -10.930 11.182 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.701 11.016 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.457 13.434 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.885 12.783 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.087 14.106 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.080 12.797 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.104 13.918 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.397 14.878 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.971 16.050 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.000 15.256 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.830 17.487 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.947 16.221 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.085 16.784 -0.606 1.00 0.00 H new ATOM 1291 N GLY A 92 -14.059 10.723 -1.372 1.00 0.00 N ATOM 1292 CA GLY A 92 -15.367 10.729 -2.087 1.00 0.00 C ATOM 1293 C GLY A 92 -15.459 9.495 -2.988 1.00 0.00 C ATOM 1294 O GLY A 92 -15.741 9.595 -4.166 1.00 0.00 O ATOM 0 H GLY A 92 -13.349 10.107 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.187 10.730 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.464 11.636 -2.683 1.00 0.00 H new ATOM 1298 N TYR A 93 -15.223 8.332 -2.445 1.00 0.00 N ATOM 1299 CA TYR A 93 -15.297 7.094 -3.274 1.00 0.00 C ATOM 1300 C TYR A 93 -16.708 6.503 -3.204 1.00 0.00 C ATOM 1301 O TYR A 93 -17.633 7.130 -2.729 1.00 0.00 O ATOM 1302 CB TYR A 93 -14.266 6.140 -2.660 1.00 0.00 C ATOM 1303 CG TYR A 93 -12.908 6.330 -3.315 1.00 0.00 C ATOM 1304 CD1 TYR A 93 -12.629 7.480 -4.073 1.00 0.00 C ATOM 1305 CD2 TYR A 93 -11.922 5.348 -3.159 1.00 0.00 C ATOM 1306 CE1 TYR A 93 -11.374 7.642 -4.668 1.00 0.00 C ATOM 1307 CE2 TYR A 93 -10.666 5.513 -3.755 1.00 0.00 C ATOM 1308 CZ TYR A 93 -10.393 6.659 -4.510 1.00 0.00 C ATOM 1309 OH TYR A 93 -9.154 6.819 -5.097 1.00 0.00 O ATOM 0 H TYR A 93 -14.982 8.185 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.088 7.281 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.188 6.321 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.596 5.109 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.386 8.241 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.131 4.462 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.163 8.527 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.907 4.755 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.849 5.960 -5.458 1.00 0.00 H new ATOM 1319 N GLY A 94 -16.878 5.302 -3.686 1.00 0.00 N ATOM 1320 CA GLY A 94 -18.227 4.668 -3.663 1.00 0.00 C ATOM 1321 C GLY A 94 -18.683 4.471 -2.215 1.00 0.00 C ATOM 1322 O GLY A 94 -19.856 4.304 -1.945 1.00 0.00 O ATOM 0 H GLY A 94 -16.139 4.731 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.942 5.294 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -18.196 3.708 -4.178 1.00 0.00 H new ATOM 1326 N ASN A 95 -17.772 4.480 -1.281 1.00 0.00 N ATOM 1327 CA ASN A 95 -18.174 4.284 0.142 1.00 0.00 C ATOM 1328 C ASN A 95 -18.119 5.620 0.893 1.00 0.00 C ATOM 1329 O ASN A 95 -18.812 5.821 1.870 1.00 0.00 O ATOM 1330 CB ASN A 95 -17.165 3.280 0.714 1.00 0.00 C ATOM 1331 CG ASN A 95 -15.806 3.947 0.936 1.00 0.00 C ATOM 1332 OD1 ASN A 95 -15.260 4.557 0.038 1.00 0.00 O ATOM 1333 ND2 ASN A 95 -15.233 3.852 2.105 1.00 0.00 N ATOM 0 H ASN A 95 -16.773 4.614 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 95 -19.195 3.915 0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -17.538 2.879 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -17.055 2.438 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.326 4.290 2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -15.692 3.340 2.858 1.00 0.00 H new ATOM 1340 N LYS A 96 -17.301 6.535 0.445 1.00 0.00 N ATOM 1341 CA LYS A 96 -17.206 7.853 1.138 1.00 0.00 C ATOM 1342 C LYS A 96 -17.021 7.632 2.641 1.00 0.00 C ATOM 1343 O LYS A 96 -17.437 8.434 3.453 1.00 0.00 O ATOM 1344 CB LYS A 96 -18.536 8.554 0.855 1.00 0.00 C ATOM 1345 CG LYS A 96 -18.478 9.234 -0.514 1.00 0.00 C ATOM 1346 CD LYS A 96 -19.600 8.691 -1.401 1.00 0.00 C ATOM 1347 CE LYS A 96 -19.591 9.425 -2.744 1.00 0.00 C ATOM 1348 NZ LYS A 96 -20.965 9.235 -3.285 1.00 0.00 N ATOM 0 H LYS A 96 -16.696 6.427 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 96 -16.360 8.446 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -19.352 7.831 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -18.742 9.292 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -18.580 10.313 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.510 9.052 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.467 7.621 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -20.563 8.824 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.358 10.482 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.839 9.012 -3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -21.044 9.709 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -21.155 8.219 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.657 9.644 -2.625 1.00 0.00 H new ATOM 1362 N HIS A 97 -16.401 6.548 3.016 1.00 0.00 N ATOM 1363 CA HIS A 97 -16.190 6.270 4.465 1.00 0.00 C ATOM 1364 C HIS A 97 -14.770 5.746 4.688 1.00 0.00 C ATOM 1365 O HIS A 97 -14.516 4.983 5.600 1.00 0.00 O ATOM 1366 CB HIS A 97 -17.224 5.201 4.824 1.00 0.00 C ATOM 1367 CG HIS A 97 -18.593 5.820 4.869 1.00 0.00 C ATOM 1368 ND1 HIS A 97 -19.022 7.073 5.230 1.00 0.00 N flip ATOM 1369 CD2 HIS A 97 -19.734 5.119 4.509 1.00 0.00 C flip ATOM 1370 CE1 HIS A 97 -20.405 7.151 5.098 1.00 0.00 C flip ATOM 1371 NE2 HIS A 97 -20.783 5.947 4.660 1.00 0.00 N flip ATOM 0 H HIS A 97 -16.031 5.841 2.381 1.00 0.00 H new ATOM 0 HA HIS A 97 -16.305 7.161 5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -17.201 4.397 4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -16.983 4.757 5.790 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -18.419 7.832 5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.773 4.095 4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -21.037 8.002 5.305 1.00 0.00 H new ATOM 1380 N ILE A 98 -13.841 6.147 3.864 1.00 0.00 N ATOM 1381 CA ILE A 98 -12.440 5.669 4.031 1.00 0.00 C ATOM 1382 C ILE A 98 -11.809 6.339 5.254 1.00 0.00 C ATOM 1383 O ILE A 98 -12.256 7.374 5.707 1.00 0.00 O ATOM 1384 CB ILE A 98 -11.717 6.086 2.750 1.00 0.00 C ATOM 1385 CG1 ILE A 98 -12.375 5.397 1.551 1.00 0.00 C ATOM 1386 CG2 ILE A 98 -10.247 5.671 2.835 1.00 0.00 C ATOM 1387 CD1 ILE A 98 -11.577 5.696 0.282 1.00 0.00 C ATOM 0 H ILE A 98 -13.992 6.785 3.083 1.00 0.00 H new ATOM 0 HA ILE A 98 -12.382 4.592 4.189 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.780 7.167 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.421 4.321 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.401 5.746 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.732 5.968 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.780 6.159 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -10.181 4.589 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.048 5.204 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -11.554 6.772 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -10.558 5.325 0.397 1.00 0.00 H new ATOM 1399 N LYS A 99 -10.775 5.754 5.795 1.00 0.00 N ATOM 1400 CA LYS A 99 -10.120 6.357 6.990 1.00 0.00 C ATOM 1401 C LYS A 99 -8.604 6.165 6.903 1.00 0.00 C ATOM 1402 O LYS A 99 -8.102 5.502 6.017 1.00 0.00 O ATOM 1403 CB LYS A 99 -10.696 5.596 8.184 1.00 0.00 C ATOM 1404 CG LYS A 99 -12.104 6.113 8.484 1.00 0.00 C ATOM 1405 CD LYS A 99 -13.124 5.004 8.220 1.00 0.00 C ATOM 1406 CE LYS A 99 -14.539 5.583 8.292 1.00 0.00 C ATOM 1407 NZ LYS A 99 -14.800 5.763 9.747 1.00 0.00 N ATOM 0 H LYS A 99 -10.356 4.886 5.461 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.302 7.429 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.727 4.528 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.055 5.726 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.169 6.441 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.325 6.980 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.950 4.562 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.008 4.207 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.607 6.530 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.266 4.909 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.683 5.278 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.012 5.360 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.887 6.777 9.961 1.00 0.00 H new ATOM 1421 N ALA A 100 -7.871 6.742 7.817 1.00 0.00 N ATOM 1422 CA ALA A 100 -6.388 6.593 7.787 1.00 0.00 C ATOM 1423 C ALA A 100 -5.954 5.540 8.809 1.00 0.00 C ATOM 1424 O ALA A 100 -4.867 5.002 8.735 1.00 0.00 O ATOM 1425 CB ALA A 100 -5.838 7.970 8.161 1.00 0.00 C ATOM 0 H ALA A 100 -8.235 7.310 8.582 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.021 6.267 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.748 7.939 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.181 8.708 7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.192 8.246 9.154 1.00 0.00 H new ATOM 1431 N GLU A 101 -6.793 5.241 9.762 1.00 0.00 N ATOM 1432 CA GLU A 101 -6.423 4.223 10.785 1.00 0.00 C ATOM 1433 C GLU A 101 -6.350 2.841 10.130 1.00 0.00 C ATOM 1434 O GLU A 101 -5.726 1.933 10.642 1.00 0.00 O ATOM 1435 CB GLU A 101 -7.540 4.273 11.829 1.00 0.00 C ATOM 1436 CG GLU A 101 -8.883 3.987 11.156 1.00 0.00 C ATOM 1437 CD GLU A 101 -9.876 3.437 12.183 1.00 0.00 C ATOM 1438 OE1 GLU A 101 -9.610 2.378 12.727 1.00 0.00 O ATOM 1439 OE2 GLU A 101 -10.885 4.085 12.407 1.00 0.00 O ATOM 0 H GLU A 101 -7.717 5.657 9.877 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.450 4.418 11.236 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.351 3.540 12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.562 5.253 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.277 4.900 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.748 3.269 10.347 1.00 0.00 H new ATOM 1446 N TYR A 102 -6.983 2.674 9.000 1.00 0.00 N ATOM 1447 CA TYR A 102 -6.948 1.350 8.315 1.00 0.00 C ATOM 1448 C TYR A 102 -5.631 1.201 7.548 1.00 0.00 C ATOM 1449 O TYR A 102 -5.200 0.108 7.238 1.00 0.00 O ATOM 1450 CB TYR A 102 -8.130 1.366 7.345 1.00 0.00 C ATOM 1451 CG TYR A 102 -9.404 1.081 8.098 1.00 0.00 C ATOM 1452 CD1 TYR A 102 -10.083 2.120 8.743 1.00 0.00 C ATOM 1453 CD2 TYR A 102 -9.908 -0.224 8.150 1.00 0.00 C ATOM 1454 CE1 TYR A 102 -11.266 1.856 9.442 1.00 0.00 C ATOM 1455 CE2 TYR A 102 -11.091 -0.489 8.849 1.00 0.00 C ATOM 1456 CZ TYR A 102 -11.771 0.551 9.495 1.00 0.00 C ATOM 1457 OH TYR A 102 -12.938 0.290 10.183 1.00 0.00 O ATOM 0 H TYR A 102 -7.522 3.396 8.522 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.014 0.518 9.017 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.196 2.336 6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.983 0.620 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.694 3.127 8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.384 -1.026 7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -11.789 2.658 9.940 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.480 -1.496 8.890 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.586 -0.132 9.580 1.00 0.00 H new ATOM 1467 N PHE A 103 -4.998 2.295 7.228 1.00 0.00 N ATOM 1468 CA PHE A 103 -3.717 2.230 6.467 1.00 0.00 C ATOM 1469 C PHE A 103 -2.679 1.415 7.245 1.00 0.00 C ATOM 1470 O PHE A 103 -2.211 0.390 6.792 1.00 0.00 O ATOM 1471 CB PHE A 103 -3.264 3.685 6.330 1.00 0.00 C ATOM 1472 CG PHE A 103 -3.930 4.322 5.131 1.00 0.00 C ATOM 1473 CD1 PHE A 103 -5.264 4.025 4.821 1.00 0.00 C ATOM 1474 CD2 PHE A 103 -3.209 5.215 4.330 1.00 0.00 C ATOM 1475 CE1 PHE A 103 -5.874 4.622 3.711 1.00 0.00 C ATOM 1476 CE2 PHE A 103 -3.820 5.811 3.220 1.00 0.00 C ATOM 1477 CZ PHE A 103 -5.152 5.515 2.910 1.00 0.00 C ATOM 0 H PHE A 103 -5.314 3.236 7.462 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.837 1.747 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.516 4.240 7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -2.180 3.729 6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.821 3.336 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.181 5.444 4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.902 4.393 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.263 6.500 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.623 5.975 2.054 1.00 0.00 H new ATOM 1487 N GLU A 104 -2.307 1.875 8.408 1.00 0.00 N ATOM 1488 CA GLU A 104 -1.289 1.146 9.221 1.00 0.00 C ATOM 1489 C GLU A 104 -1.583 -0.358 9.243 1.00 0.00 C ATOM 1490 O GLU A 104 -0.754 -1.153 8.844 1.00 0.00 O ATOM 1491 CB GLU A 104 -1.403 1.738 10.627 1.00 0.00 C ATOM 1492 CG GLU A 104 -0.143 2.545 10.944 1.00 0.00 C ATOM 1493 CD GLU A 104 -0.173 3.010 12.401 1.00 0.00 C ATOM 1494 OE1 GLU A 104 -1.165 3.602 12.793 1.00 0.00 O ATOM 1495 OE2 GLU A 104 0.797 2.766 13.100 1.00 0.00 O ATOM 0 H GLU A 104 -2.666 2.730 8.834 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.286 1.258 8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.283 2.377 10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.531 0.941 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.743 1.936 10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.076 3.407 10.280 1.00 0.00 H new ATOM 1502 N PRO A 105 -2.749 -0.705 9.718 1.00 0.00 N ATOM 1503 CA PRO A 105 -3.109 -2.147 9.787 1.00 0.00 C ATOM 1504 C PRO A 105 -3.000 -2.786 8.401 1.00 0.00 C ATOM 1505 O PRO A 105 -2.414 -3.838 8.238 1.00 0.00 O ATOM 1506 CB PRO A 105 -4.553 -2.155 10.294 1.00 0.00 C ATOM 1507 CG PRO A 105 -5.032 -0.743 10.227 1.00 0.00 C ATOM 1508 CD PRO A 105 -3.824 0.148 10.234 1.00 0.00 C ATOM 0 HA PRO A 105 -2.448 -2.720 10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.176 -2.806 9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.604 -2.534 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.622 -0.581 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.679 -0.518 11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.973 1.026 9.606 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.600 0.508 11.238 1.00 0.00 H new ATOM 1516 N LEU A 106 -3.557 -2.162 7.401 1.00 0.00 N ATOM 1517 CA LEU A 106 -3.480 -2.739 6.030 1.00 0.00 C ATOM 1518 C LEU A 106 -2.023 -2.738 5.557 1.00 0.00 C ATOM 1519 O LEU A 106 -1.651 -3.473 4.664 1.00 0.00 O ATOM 1520 CB LEU A 106 -4.351 -1.824 5.158 1.00 0.00 C ATOM 1521 CG LEU A 106 -4.418 -2.347 3.714 1.00 0.00 C ATOM 1522 CD1 LEU A 106 -3.106 -2.042 2.990 1.00 0.00 C ATOM 1523 CD2 LEU A 106 -4.662 -3.862 3.709 1.00 0.00 C ATOM 0 H LEU A 106 -4.062 -1.279 7.473 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.828 -3.771 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.356 -1.766 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.944 -0.813 5.165 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.242 -1.851 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.160 -2.415 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.941 -0.965 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.281 -2.529 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.707 -4.220 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.848 -4.363 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.605 -4.080 4.211 1.00 0.00 H new ATOM 1535 N GLY A 107 -1.194 -1.922 6.151 1.00 0.00 N ATOM 1536 CA GLY A 107 0.236 -1.882 5.731 1.00 0.00 C ATOM 1537 C GLY A 107 0.986 -3.044 6.384 1.00 0.00 C ATOM 1538 O GLY A 107 1.788 -3.708 5.758 1.00 0.00 O ATOM 0 H GLY A 107 -1.444 -1.284 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.310 -1.950 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.686 -0.933 6.023 1.00 0.00 H new ATOM 1542 N ALA A 108 0.734 -3.297 7.639 1.00 0.00 N ATOM 1543 CA ALA A 108 1.435 -4.417 8.329 1.00 0.00 C ATOM 1544 C ALA A 108 1.057 -5.743 7.666 1.00 0.00 C ATOM 1545 O ALA A 108 1.906 -6.546 7.333 1.00 0.00 O ATOM 1546 CB ALA A 108 0.941 -4.373 9.775 1.00 0.00 C ATOM 0 H ALA A 108 0.073 -2.777 8.216 1.00 0.00 H new ATOM 0 HA ALA A 108 2.520 -4.327 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.415 -5.171 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.195 -3.410 10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.141 -4.507 9.794 1.00 0.00 H new ATOM 1552 N SER A 109 -0.211 -5.979 7.471 1.00 0.00 N ATOM 1553 CA SER A 109 -0.642 -7.253 6.828 1.00 0.00 C ATOM 1554 C SER A 109 -0.044 -7.348 5.422 1.00 0.00 C ATOM 1555 O SER A 109 0.020 -8.411 4.837 1.00 0.00 O ATOM 1556 CB SER A 109 -2.167 -7.177 6.765 1.00 0.00 C ATOM 1557 OG SER A 109 -2.718 -7.870 7.877 1.00 0.00 O ATOM 0 H SER A 109 -0.967 -5.345 7.729 1.00 0.00 H new ATOM 0 HA SER A 109 -0.310 -8.132 7.380 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.491 -6.136 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.526 -7.616 5.834 1.00 0.00 H new ATOM 0 HG SER A 109 -3.696 -7.822 7.841 1.00 0.00 H new ATOM 1563 N LEU A 110 0.393 -6.247 4.874 1.00 0.00 N ATOM 1564 CA LEU A 110 0.983 -6.279 3.506 1.00 0.00 C ATOM 1565 C LEU A 110 2.377 -6.911 3.558 1.00 0.00 C ATOM 1566 O LEU A 110 2.787 -7.604 2.648 1.00 0.00 O ATOM 1567 CB LEU A 110 1.067 -4.816 3.068 1.00 0.00 C ATOM 1568 CG LEU A 110 0.937 -4.732 1.547 1.00 0.00 C ATOM 1569 CD1 LEU A 110 0.070 -3.528 1.174 1.00 0.00 C ATOM 1570 CD2 LEU A 110 2.327 -4.568 0.927 1.00 0.00 C ATOM 0 H LEU A 110 0.367 -5.327 5.314 1.00 0.00 H new ATOM 0 HA LEU A 110 0.388 -6.870 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.276 -4.237 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.015 -4.383 3.387 1.00 0.00 H new ATOM 0 HG LEU A 110 0.474 -5.644 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.023 -3.468 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.920 -3.641 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.533 -2.616 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.237 -4.508 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.788 -3.655 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.947 -5.424 1.193 1.00 0.00 H new ATOM 1582 N LEU A 111 3.110 -6.677 4.613 1.00 0.00 N ATOM 1583 CA LEU A 111 4.476 -7.266 4.713 1.00 0.00 C ATOM 1584 C LEU A 111 4.372 -8.785 4.869 1.00 0.00 C ATOM 1585 O LEU A 111 5.220 -9.524 4.410 1.00 0.00 O ATOM 1586 CB LEU A 111 5.100 -6.635 5.961 1.00 0.00 C ATOM 1587 CG LEU A 111 5.720 -5.282 5.602 1.00 0.00 C ATOM 1588 CD1 LEU A 111 6.391 -4.682 6.839 1.00 0.00 C ATOM 1589 CD2 LEU A 111 6.767 -5.473 4.503 1.00 0.00 C ATOM 0 H LEU A 111 2.823 -6.105 5.408 1.00 0.00 H new ATOM 0 HA LEU A 111 5.078 -7.072 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.341 -6.505 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.862 -7.297 6.372 1.00 0.00 H new ATOM 0 HG LEU A 111 4.938 -4.610 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.832 -3.719 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.648 -4.543 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.171 -5.356 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.207 -4.509 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.548 -6.146 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.293 -5.900 3.619 1.00 0.00 H new ATOM 1601 N SER A 112 3.341 -9.257 5.514 1.00 0.00 N ATOM 1602 CA SER A 112 3.188 -10.728 5.698 1.00 0.00 C ATOM 1603 C SER A 112 2.822 -11.382 4.364 1.00 0.00 C ATOM 1604 O SER A 112 3.031 -12.562 4.163 1.00 0.00 O ATOM 1605 CB SER A 112 2.053 -10.890 6.710 1.00 0.00 C ATOM 1606 OG SER A 112 2.269 -10.007 7.803 1.00 0.00 O ATOM 0 H SER A 112 2.598 -8.688 5.921 1.00 0.00 H new ATOM 0 HA SER A 112 4.106 -11.202 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 112 1.095 -10.674 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.009 -11.920 7.063 1.00 0.00 H new ATOM 0 HG SER A 112 1.542 -10.107 8.453 1.00 0.00 H new ATOM 1612 N ALA A 113 2.274 -10.628 3.450 1.00 0.00 N ATOM 1613 CA ALA A 113 1.893 -11.212 2.132 1.00 0.00 C ATOM 1614 C ALA A 113 3.089 -11.160 1.177 1.00 0.00 C ATOM 1615 O ALA A 113 3.326 -12.075 0.415 1.00 0.00 O ATOM 1616 CB ALA A 113 0.751 -10.334 1.618 1.00 0.00 C ATOM 0 H ALA A 113 2.074 -9.634 3.559 1.00 0.00 H new ATOM 0 HA ALA A 113 1.590 -12.256 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.416 -10.703 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -0.079 -10.366 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.100 -9.307 1.514 1.00 0.00 H new ATOM 1622 N MET A 114 3.840 -10.094 1.211 1.00 0.00 N ATOM 1623 CA MET A 114 5.017 -9.982 0.302 1.00 0.00 C ATOM 1624 C MET A 114 5.953 -11.174 0.514 1.00 0.00 C ATOM 1625 O MET A 114 6.549 -11.679 -0.417 1.00 0.00 O ATOM 1626 CB MET A 114 5.704 -8.675 0.695 1.00 0.00 C ATOM 1627 CG MET A 114 5.108 -7.525 -0.119 1.00 0.00 C ATOM 1628 SD MET A 114 5.009 -6.042 0.913 1.00 0.00 S ATOM 1629 CE MET A 114 4.888 -4.840 -0.434 1.00 0.00 C ATOM 0 H MET A 114 3.690 -9.296 1.828 1.00 0.00 H new ATOM 0 HA MET A 114 4.732 -9.983 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.572 -8.488 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.777 -8.746 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.724 -7.329 -0.997 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.116 -7.797 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 114 4.403 -3.934 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.887 -4.597 -0.796 1.00 0.00 H new ATOM 0 HE3 MET A 114 4.301 -5.264 -1.248 1.00 0.00 H new ATOM 1639 N GLU A 115 6.086 -11.631 1.728 1.00 0.00 N ATOM 1640 CA GLU A 115 6.983 -12.792 1.992 1.00 0.00 C ATOM 1641 C GLU A 115 6.586 -13.962 1.087 1.00 0.00 C ATOM 1642 O GLU A 115 7.365 -14.860 0.839 1.00 0.00 O ATOM 1643 CB GLU A 115 6.759 -13.145 3.464 1.00 0.00 C ATOM 1644 CG GLU A 115 8.110 -13.322 4.159 1.00 0.00 C ATOM 1645 CD GLU A 115 8.164 -14.679 4.862 1.00 0.00 C ATOM 1646 OE1 GLU A 115 7.736 -15.652 4.263 1.00 0.00 O ATOM 1647 OE2 GLU A 115 8.632 -14.723 5.988 1.00 0.00 O ATOM 0 H GLU A 115 5.613 -11.252 2.548 1.00 0.00 H new ATOM 0 HA GLU A 115 8.030 -12.568 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.186 -12.358 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.174 -14.061 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.916 -13.249 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.263 -12.522 4.883 1.00 0.00 H new ATOM 1654 N HIS A 116 5.377 -13.962 0.596 1.00 0.00 N ATOM 1655 CA HIS A 116 4.930 -15.077 -0.288 1.00 0.00 C ATOM 1656 C HIS A 116 5.739 -15.068 -1.588 1.00 0.00 C ATOM 1657 O HIS A 116 5.868 -16.076 -2.254 1.00 0.00 O ATOM 1658 CB HIS A 116 3.453 -14.799 -0.568 1.00 0.00 C ATOM 1659 CG HIS A 116 2.658 -14.984 0.695 1.00 0.00 C ATOM 1660 ND1 HIS A 116 3.013 -14.918 2.020 1.00 0.00 N flip ATOM 1661 CD2 HIS A 116 1.305 -15.282 0.680 1.00 0.00 C flip ATOM 1662 CE1 HIS A 116 1.899 -15.170 2.816 1.00 0.00 C flip ATOM 1663 NE2 HIS A 116 0.898 -15.383 1.959 1.00 0.00 N flip ATOM 0 H HIS A 116 4.679 -13.238 0.768 1.00 0.00 H new ATOM 0 HA HIS A 116 5.074 -16.055 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.328 -13.783 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.086 -15.472 -1.343 1.00 0.00 H new ATOM 0 HD2 HIS A 116 0.689 -15.410 -0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.854 -15.189 3.895 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -0.059 -15.596 2.239 1.00 0.00 H new ATOM 1671 N ARG A 117 6.284 -13.941 -1.958 1.00 0.00 N ATOM 1672 CA ARG A 117 7.078 -13.879 -3.219 1.00 0.00 C ATOM 1673 C ARG A 117 8.563 -14.093 -2.910 1.00 0.00 C ATOM 1674 O ARG A 117 9.137 -15.106 -3.257 1.00 0.00 O ATOM 1675 CB ARG A 117 6.833 -12.478 -3.783 1.00 0.00 C ATOM 1676 CG ARG A 117 7.409 -12.390 -5.197 1.00 0.00 C ATOM 1677 CD ARG A 117 6.445 -11.610 -6.094 1.00 0.00 C ATOM 1678 NE ARG A 117 7.188 -11.368 -7.362 1.00 0.00 N ATOM 1679 CZ ARG A 117 6.926 -12.088 -8.418 1.00 0.00 C ATOM 1680 NH1 ARG A 117 6.785 -13.381 -8.308 1.00 0.00 N ATOM 1681 NH2 ARG A 117 6.806 -11.516 -9.585 1.00 0.00 N ATOM 0 H ARG A 117 6.214 -13.063 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 117 6.787 -14.651 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.765 -12.263 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.299 -11.730 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.381 -11.897 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.568 -13.391 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.532 -12.178 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.148 -10.671 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 117 7.901 -10.640 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.880 -13.829 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.580 -13.944 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.917 -10.506 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.601 -12.079 -10.410 1.00 0.00 H new ATOM 1695 N ILE A 118 9.190 -13.148 -2.264 1.00 0.00 N ATOM 1696 CA ILE A 118 10.638 -13.305 -1.940 1.00 0.00 C ATOM 1697 C ILE A 118 10.797 -14.235 -0.731 1.00 0.00 C ATOM 1698 O ILE A 118 11.751 -14.983 -0.636 1.00 0.00 O ATOM 1699 CB ILE A 118 11.150 -11.892 -1.634 1.00 0.00 C ATOM 1700 CG1 ILE A 118 10.281 -11.236 -0.557 1.00 0.00 C ATOM 1701 CG2 ILE A 118 11.099 -11.047 -2.907 1.00 0.00 C ATOM 1702 CD1 ILE A 118 11.046 -10.069 0.072 1.00 0.00 C ATOM 0 H ILE A 118 8.765 -12.277 -1.947 1.00 0.00 H new ATOM 0 HA ILE A 118 11.204 -13.751 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 118 12.176 -11.958 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.348 -10.880 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.017 -11.966 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 118 11.463 -10.042 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.727 -11.504 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.071 -10.992 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.429 -9.601 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 118 11.967 -10.439 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.288 -9.335 -0.697 1.00 0.00 H new ATOM 1714 N GLY A 119 9.860 -14.206 0.180 1.00 0.00 N ATOM 1715 CA GLY A 119 9.931 -15.095 1.380 1.00 0.00 C ATOM 1716 C GLY A 119 11.353 -15.120 1.949 1.00 0.00 C ATOM 1717 O GLY A 119 11.746 -14.257 2.708 1.00 0.00 O ATOM 0 H GLY A 119 9.041 -13.599 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.235 -14.743 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.624 -16.105 1.110 1.00 0.00 H new ATOM 1721 N GLY A 120 12.121 -16.117 1.598 1.00 0.00 N ATOM 1722 CA GLY A 120 13.514 -16.221 2.123 1.00 0.00 C ATOM 1723 C GLY A 120 14.221 -14.868 2.005 1.00 0.00 C ATOM 1724 O GLY A 120 14.882 -14.423 2.922 1.00 0.00 O ATOM 0 H GLY A 120 11.842 -16.868 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 120 13.496 -16.541 3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 120 14.066 -16.979 1.566 1.00 0.00 H new ATOM 1728 N LYS A 121 14.095 -14.213 0.885 1.00 0.00 N ATOM 1729 CA LYS A 121 14.769 -12.895 0.717 1.00 0.00 C ATOM 1730 C LYS A 121 14.098 -11.842 1.608 1.00 0.00 C ATOM 1731 O LYS A 121 14.615 -10.759 1.795 1.00 0.00 O ATOM 1732 CB LYS A 121 14.611 -12.549 -0.764 1.00 0.00 C ATOM 1733 CG LYS A 121 15.812 -13.087 -1.544 1.00 0.00 C ATOM 1734 CD LYS A 121 15.349 -14.192 -2.497 1.00 0.00 C ATOM 1735 CE LYS A 121 16.522 -15.126 -2.802 1.00 0.00 C ATOM 1736 NZ LYS A 121 15.896 -16.325 -3.425 1.00 0.00 N ATOM 0 H LYS A 121 13.556 -14.532 0.080 1.00 0.00 H new ATOM 0 HA LYS A 121 15.819 -12.925 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.688 -12.980 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.536 -11.469 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.284 -12.281 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.561 -13.477 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.530 -14.754 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.968 -13.755 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.237 -14.656 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.066 -15.389 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.634 -17.017 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.225 -16.753 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.391 -16.043 -4.290 1.00 0.00 H new ATOM 1750 N MET A 122 12.958 -12.151 2.167 1.00 0.00 N ATOM 1751 CA MET A 122 12.274 -11.163 3.049 1.00 0.00 C ATOM 1752 C MET A 122 12.848 -11.263 4.465 1.00 0.00 C ATOM 1753 O MET A 122 12.264 -11.873 5.339 1.00 0.00 O ATOM 1754 CB MET A 122 10.796 -11.557 3.039 1.00 0.00 C ATOM 1755 CG MET A 122 9.994 -10.544 3.859 1.00 0.00 C ATOM 1756 SD MET A 122 8.830 -9.677 2.777 1.00 0.00 S ATOM 1757 CE MET A 122 8.827 -8.098 3.663 1.00 0.00 C ATOM 0 H MET A 122 12.473 -13.041 2.051 1.00 0.00 H new ATOM 0 HA MET A 122 12.412 -10.137 2.709 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.424 -11.589 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 122 10.672 -12.557 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 122 9.454 -11.053 4.658 1.00 0.00 H new ATOM 0 HG3 MET A 122 10.667 -9.830 4.333 1.00 0.00 H new ATOM 0 HE1 MET A 122 8.231 -7.372 3.110 1.00 0.00 H new ATOM 0 HE2 MET A 122 8.399 -8.238 4.655 1.00 0.00 H new ATOM 0 HE3 MET A 122 9.849 -7.732 3.758 1.00 0.00 H new ATOM 1767 N ASN A 123 13.987 -10.672 4.699 1.00 0.00 N ATOM 1768 CA ASN A 123 14.593 -10.740 6.059 1.00 0.00 C ATOM 1769 C ASN A 123 13.927 -9.707 6.970 1.00 0.00 C ATOM 1770 O ASN A 123 12.888 -9.163 6.653 1.00 0.00 O ATOM 1771 CB ASN A 123 16.075 -10.415 5.859 1.00 0.00 C ATOM 1772 CG ASN A 123 16.233 -8.981 5.352 1.00 0.00 C ATOM 1773 OD1 ASN A 123 16.340 -8.057 6.133 1.00 0.00 O ATOM 1774 ND2 ASN A 123 16.254 -8.755 4.067 1.00 0.00 N ATOM 0 H ASN A 123 14.524 -10.146 4.009 1.00 0.00 H new ATOM 0 HA ASN A 123 14.461 -11.716 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.613 -10.538 6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.515 -11.112 5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 123 16.360 -7.802 3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 123 16.164 -9.531 3.411 1.00 0.00 H new ATOM 1781 N ALA A 124 14.517 -9.432 8.101 1.00 0.00 N ATOM 1782 CA ALA A 124 13.916 -8.434 9.030 1.00 0.00 C ATOM 1783 C ALA A 124 14.034 -7.036 8.421 1.00 0.00 C ATOM 1784 O ALA A 124 13.097 -6.263 8.434 1.00 0.00 O ATOM 1785 CB ALA A 124 14.732 -8.539 10.319 1.00 0.00 C ATOM 0 H ALA A 124 15.388 -9.855 8.422 1.00 0.00 H new ATOM 0 HA ALA A 124 12.858 -8.617 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 124 14.346 -7.831 11.053 1.00 0.00 H new ATOM 0 HB2 ALA A 124 14.656 -9.551 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 124 15.777 -8.310 10.108 1.00 0.00 H new ATOM 1791 N ALA A 125 15.175 -6.707 7.882 1.00 0.00 N ATOM 1792 CA ALA A 125 15.343 -5.361 7.268 1.00 0.00 C ATOM 1793 C ALA A 125 14.292 -5.173 6.174 1.00 0.00 C ATOM 1794 O ALA A 125 13.761 -4.096 5.986 1.00 0.00 O ATOM 1795 CB ALA A 125 16.753 -5.356 6.677 1.00 0.00 C ATOM 0 H ALA A 125 15.996 -7.310 7.840 1.00 0.00 H new ATOM 0 HA ALA A 125 15.216 -4.551 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 125 16.947 -4.392 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 125 17.481 -5.525 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 125 16.838 -6.147 5.932 1.00 0.00 H new ATOM 1801 N ALA A 126 13.981 -6.217 5.453 1.00 0.00 N ATOM 1802 CA ALA A 126 12.958 -6.098 4.377 1.00 0.00 C ATOM 1803 C ALA A 126 11.621 -5.683 4.994 1.00 0.00 C ATOM 1804 O ALA A 126 11.013 -4.712 4.588 1.00 0.00 O ATOM 1805 CB ALA A 126 12.862 -7.493 3.757 1.00 0.00 C ATOM 0 H ALA A 126 14.391 -7.145 5.563 1.00 0.00 H new ATOM 0 HA ALA A 126 13.218 -5.349 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 126 12.125 -7.484 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 126 13.834 -7.780 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 126 12.559 -8.210 4.520 1.00 0.00 H new ATOM 1811 N LYS A 127 11.161 -6.410 5.976 1.00 0.00 N ATOM 1812 CA LYS A 127 9.866 -6.057 6.622 1.00 0.00 C ATOM 1813 C LYS A 127 10.037 -4.772 7.437 1.00 0.00 C ATOM 1814 O LYS A 127 9.111 -4.004 7.604 1.00 0.00 O ATOM 1815 CB LYS A 127 9.529 -7.241 7.532 1.00 0.00 C ATOM 1816 CG LYS A 127 10.644 -7.432 8.563 1.00 0.00 C ATOM 1817 CD LYS A 127 10.169 -8.393 9.655 1.00 0.00 C ATOM 1818 CE LYS A 127 10.363 -9.836 9.185 1.00 0.00 C ATOM 1819 NZ LYS A 127 10.319 -10.647 10.433 1.00 0.00 N ATOM 0 H LYS A 127 11.627 -7.233 6.358 1.00 0.00 H new ATOM 0 HA LYS A 127 9.071 -5.878 5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.579 -7.065 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.411 -8.147 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.537 -7.827 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.917 -6.472 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.728 -8.221 10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.119 -8.211 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.579 -10.135 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.313 -9.959 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.445 -11.652 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 11.081 -10.343 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.400 -10.513 10.902 1.00 0.00 H new ATOM 1833 N ASP A 128 11.217 -4.533 7.943 1.00 0.00 N ATOM 1834 CA ASP A 128 11.448 -3.298 8.743 1.00 0.00 C ATOM 1835 C ASP A 128 11.516 -2.095 7.807 1.00 0.00 C ATOM 1836 O ASP A 128 10.850 -1.098 8.005 1.00 0.00 O ATOM 1837 CB ASP A 128 12.788 -3.517 9.448 1.00 0.00 C ATOM 1838 CG ASP A 128 12.971 -2.483 10.559 1.00 0.00 C ATOM 1839 OD1 ASP A 128 12.344 -2.636 11.594 1.00 0.00 O ATOM 1840 OD2 ASP A 128 13.736 -1.554 10.357 1.00 0.00 O ATOM 0 H ASP A 128 12.030 -5.140 7.836 1.00 0.00 H new ATOM 0 HA ASP A 128 10.651 -3.107 9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 128 12.828 -4.523 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 128 13.603 -3.438 8.729 1.00 0.00 H new ATOM 1845 N ALA A 129 12.313 -2.185 6.783 1.00 0.00 N ATOM 1846 CA ALA A 129 12.426 -1.053 5.823 1.00 0.00 C ATOM 1847 C ALA A 129 11.054 -0.773 5.210 1.00 0.00 C ATOM 1848 O ALA A 129 10.641 0.362 5.078 1.00 0.00 O ATOM 1849 CB ALA A 129 13.410 -1.528 4.755 1.00 0.00 C ATOM 0 H ALA A 129 12.893 -2.996 6.568 1.00 0.00 H new ATOM 0 HA ALA A 129 12.768 -0.132 6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 129 13.545 -0.744 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 129 14.369 -1.756 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 129 13.019 -2.424 4.273 1.00 0.00 H new ATOM 1855 N TRP A 130 10.340 -1.801 4.840 1.00 0.00 N ATOM 1856 CA TRP A 130 8.992 -1.594 4.244 1.00 0.00 C ATOM 1857 C TRP A 130 8.016 -1.191 5.348 1.00 0.00 C ATOM 1858 O TRP A 130 7.007 -0.562 5.099 1.00 0.00 O ATOM 1859 CB TRP A 130 8.614 -2.945 3.624 1.00 0.00 C ATOM 1860 CG TRP A 130 9.025 -2.986 2.178 1.00 0.00 C ATOM 1861 CD1 TRP A 130 9.749 -2.034 1.536 1.00 0.00 C ATOM 1862 CD2 TRP A 130 8.751 -4.021 1.188 1.00 0.00 C ATOM 1863 NE1 TRP A 130 9.926 -2.417 0.220 1.00 0.00 N ATOM 1864 CE2 TRP A 130 9.331 -3.632 -0.043 1.00 0.00 C ATOM 1865 CE3 TRP A 130 8.060 -5.245 1.235 1.00 0.00 C ATOM 1866 CZ2 TRP A 130 9.228 -4.426 -1.183 1.00 0.00 C ATOM 1867 CZ3 TRP A 130 7.957 -6.048 0.088 1.00 0.00 C ATOM 1868 CH2 TRP A 130 8.540 -5.639 -1.119 1.00 0.00 C ATOM 0 H TRP A 130 10.633 -2.774 4.925 1.00 0.00 H new ATOM 0 HA TRP A 130 8.971 -0.804 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 130 9.100 -3.753 4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 130 7.539 -3.104 3.709 1.00 0.00 H new ATOM 0 HD1 TRP A 130 10.126 -1.125 1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.435 -1.867 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.606 -5.569 2.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.678 -4.105 -2.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 7.425 -6.987 0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 130 8.457 -6.261 -1.998 1.00 0.00 H new ATOM 1879 N ALA A 131 8.319 -1.530 6.571 1.00 0.00 N ATOM 1880 CA ALA A 131 7.417 -1.144 7.691 1.00 0.00 C ATOM 1881 C ALA A 131 7.475 0.374 7.865 1.00 0.00 C ATOM 1882 O ALA A 131 6.539 0.996 8.326 1.00 0.00 O ATOM 1883 CB ALA A 131 7.973 -1.858 8.925 1.00 0.00 C ATOM 0 H ALA A 131 9.150 -2.056 6.842 1.00 0.00 H new ATOM 0 HA ALA A 131 6.377 -1.420 7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.357 -1.619 9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.963 -2.935 8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 131 8.996 -1.529 9.106 1.00 0.00 H new ATOM 1889 N ALA A 132 8.572 0.974 7.487 1.00 0.00 N ATOM 1890 CA ALA A 132 8.702 2.452 7.613 1.00 0.00 C ATOM 1891 C ALA A 132 8.307 3.104 6.287 1.00 0.00 C ATOM 1892 O ALA A 132 7.912 4.252 6.239 1.00 0.00 O ATOM 1893 CB ALA A 132 10.179 2.704 7.921 1.00 0.00 C ATOM 0 H ALA A 132 9.386 0.501 7.095 1.00 0.00 H new ATOM 0 HA ALA A 132 8.060 2.868 8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.351 3.775 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 132 10.449 2.199 8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 132 10.792 2.318 7.106 1.00 0.00 H new ATOM 1899 N ALA A 133 8.411 2.375 5.208 1.00 0.00 N ATOM 1900 CA ALA A 133 8.043 2.945 3.882 1.00 0.00 C ATOM 1901 C ALA A 133 6.526 3.125 3.804 1.00 0.00 C ATOM 1902 O ALA A 133 6.031 4.218 3.617 1.00 0.00 O ATOM 1903 CB ALA A 133 8.524 1.920 2.854 1.00 0.00 C ATOM 0 H ALA A 133 8.735 1.408 5.189 1.00 0.00 H new ATOM 0 HA ALA A 133 8.493 3.922 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 133 8.287 2.272 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.602 1.789 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.026 0.966 3.031 1.00 0.00 H new ATOM 1909 N TYR A 134 5.782 2.062 3.946 1.00 0.00 N ATOM 1910 CA TYR A 134 4.298 2.185 3.880 1.00 0.00 C ATOM 1911 C TYR A 134 3.839 3.281 4.843 1.00 0.00 C ATOM 1912 O TYR A 134 2.825 3.918 4.636 1.00 0.00 O ATOM 1913 CB TYR A 134 3.749 0.821 4.307 1.00 0.00 C ATOM 1914 CG TYR A 134 4.399 -0.274 3.491 1.00 0.00 C ATOM 1915 CD1 TYR A 134 4.749 -0.045 2.153 1.00 0.00 C ATOM 1916 CD2 TYR A 134 4.652 -1.520 4.076 1.00 0.00 C ATOM 1917 CE1 TYR A 134 5.351 -1.062 1.404 1.00 0.00 C ATOM 1918 CE2 TYR A 134 5.254 -2.535 3.326 1.00 0.00 C ATOM 1919 CZ TYR A 134 5.604 -2.307 1.991 1.00 0.00 C ATOM 1920 OH TYR A 134 6.201 -3.309 1.254 1.00 0.00 O ATOM 0 H TYR A 134 6.135 1.118 4.104 1.00 0.00 H new ATOM 0 HA TYR A 134 3.946 2.453 2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 134 3.940 0.658 5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 134 2.668 0.795 4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 134 4.554 0.916 1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 134 4.382 -1.698 5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 134 5.620 -0.886 0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 134 5.449 -3.496 3.778 1.00 0.00 H new ATOM 0 HH TYR A 134 7.065 -3.539 1.654 1.00 0.00 H new ATOM 1930 N ALA A 135 4.582 3.512 5.891 1.00 0.00 N ATOM 1931 CA ALA A 135 4.191 4.573 6.859 1.00 0.00 C ATOM 1932 C ALA A 135 4.303 5.937 6.179 1.00 0.00 C ATOM 1933 O ALA A 135 3.369 6.713 6.160 1.00 0.00 O ATOM 1934 CB ALA A 135 5.188 4.456 8.013 1.00 0.00 C ATOM 0 H ALA A 135 5.442 3.012 6.118 1.00 0.00 H new ATOM 0 HA ALA A 135 3.166 4.466 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.961 5.209 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.115 3.464 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 135 6.199 4.612 7.637 1.00 0.00 H new ATOM 1940 N ASP A 136 5.442 6.231 5.612 1.00 0.00 N ATOM 1941 CA ASP A 136 5.616 7.541 4.924 1.00 0.00 C ATOM 1942 C ASP A 136 4.780 7.552 3.643 1.00 0.00 C ATOM 1943 O ASP A 136 4.228 8.563 3.258 1.00 0.00 O ATOM 1944 CB ASP A 136 7.108 7.631 4.601 1.00 0.00 C ATOM 1945 CG ASP A 136 7.863 8.248 5.780 1.00 0.00 C ATOM 1946 OD1 ASP A 136 7.697 9.435 6.009 1.00 0.00 O ATOM 1947 OD2 ASP A 136 8.596 7.523 6.433 1.00 0.00 O ATOM 0 H ASP A 136 6.259 5.620 5.596 1.00 0.00 H new ATOM 0 HA ASP A 136 5.292 8.385 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.502 6.638 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.259 8.235 3.706 1.00 0.00 H new ATOM 1952 N ILE A 137 4.683 6.431 2.981 1.00 0.00 N ATOM 1953 CA ILE A 137 3.882 6.372 1.726 1.00 0.00 C ATOM 1954 C ILE A 137 2.396 6.530 2.061 1.00 0.00 C ATOM 1955 O ILE A 137 1.727 7.414 1.564 1.00 0.00 O ATOM 1956 CB ILE A 137 4.163 4.987 1.138 1.00 0.00 C ATOM 1957 CG1 ILE A 137 5.606 4.933 0.632 1.00 0.00 C ATOM 1958 CG2 ILE A 137 3.206 4.715 -0.027 1.00 0.00 C ATOM 1959 CD1 ILE A 137 6.107 3.489 0.667 1.00 0.00 C ATOM 0 H ILE A 137 5.124 5.553 3.256 1.00 0.00 H new ATOM 0 HA ILE A 137 4.141 7.164 1.023 1.00 0.00 H new ATOM 0 HB ILE A 137 4.016 4.232 1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 137 5.661 5.323 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 137 6.243 5.565 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 137 3.410 3.728 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 137 2.177 4.753 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 137 3.349 5.470 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 137 7.135 3.452 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 137 6.068 3.115 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 137 5.476 2.869 0.030 1.00 0.00 H new ATOM 1971 N SER A 138 1.876 5.675 2.898 1.00 0.00 N ATOM 1972 CA SER A 138 0.435 5.770 3.264 1.00 0.00 C ATOM 1973 C SER A 138 0.196 7.027 4.105 1.00 0.00 C ATOM 1974 O SER A 138 -0.881 7.589 4.107 1.00 0.00 O ATOM 1975 CB SER A 138 0.142 4.505 4.072 1.00 0.00 C ATOM 1976 OG SER A 138 0.342 4.771 5.455 1.00 0.00 O ATOM 0 H SER A 138 2.388 4.914 3.345 1.00 0.00 H new ATOM 0 HA SER A 138 -0.215 5.843 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 138 -0.883 4.178 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 138 0.794 3.694 3.748 1.00 0.00 H new ATOM 0 HG SER A 138 1.272 4.576 5.694 1.00 0.00 H new ATOM 1982 N GLY A 139 1.192 7.470 4.822 1.00 0.00 N ATOM 1983 CA GLY A 139 1.020 8.688 5.664 1.00 0.00 C ATOM 1984 C GLY A 139 0.856 9.909 4.758 1.00 0.00 C ATOM 1985 O GLY A 139 -0.029 10.720 4.947 1.00 0.00 O ATOM 0 H GLY A 139 2.117 7.042 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 139 0.147 8.579 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 139 1.883 8.818 6.316 1.00 0.00 H new ATOM 1989 N ALA A 140 1.704 10.050 3.776 1.00 0.00 N ATOM 1990 CA ALA A 140 1.596 11.221 2.860 1.00 0.00 C ATOM 1991 C ALA A 140 0.201 11.257 2.230 1.00 0.00 C ATOM 1992 O ALA A 140 -0.319 12.307 1.911 1.00 0.00 O ATOM 1993 CB ALA A 140 2.667 10.997 1.792 1.00 0.00 C ATOM 0 H ALA A 140 2.467 9.405 3.568 1.00 0.00 H new ATOM 0 HA ALA A 140 1.740 12.170 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 140 2.648 11.821 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.648 10.948 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 140 2.470 10.061 1.269 1.00 0.00 H new ATOM 1999 N LEU A 141 -0.409 10.118 2.048 1.00 0.00 N ATOM 2000 CA LEU A 141 -1.769 10.090 1.438 1.00 0.00 C ATOM 2001 C LEU A 141 -2.783 10.701 2.408 1.00 0.00 C ATOM 2002 O LEU A 141 -3.865 11.093 2.021 1.00 0.00 O ATOM 2003 CB LEU A 141 -2.073 8.611 1.196 1.00 0.00 C ATOM 2004 CG LEU A 141 -3.331 8.484 0.335 1.00 0.00 C ATOM 2005 CD1 LEU A 141 -3.206 7.261 -0.575 1.00 0.00 C ATOM 2006 CD2 LEU A 141 -4.554 8.319 1.241 1.00 0.00 C ATOM 0 H LEU A 141 -0.025 9.206 2.295 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.822 10.664 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -1.229 8.132 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.217 8.098 2.147 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.445 9.381 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -4.103 7.171 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.335 7.375 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.091 6.364 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -5.451 8.228 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -4.438 7.422 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.645 9.189 1.891 1.00 0.00 H new ATOM 2018 N ILE A 142 -2.442 10.785 3.665 1.00 0.00 N ATOM 2019 CA ILE A 142 -3.391 11.371 4.655 1.00 0.00 C ATOM 2020 C ILE A 142 -3.408 12.899 4.526 1.00 0.00 C ATOM 2021 O ILE A 142 -4.166 13.576 5.190 1.00 0.00 O ATOM 2022 CB ILE A 142 -2.860 10.947 6.025 1.00 0.00 C ATOM 2023 CG1 ILE A 142 -2.646 9.431 6.044 1.00 0.00 C ATOM 2024 CG2 ILE A 142 -3.875 11.328 7.105 1.00 0.00 C ATOM 2025 CD1 ILE A 142 -3.954 8.726 5.680 1.00 0.00 C ATOM 0 H ILE A 142 -1.550 10.474 4.049 1.00 0.00 H new ATOM 0 HA ILE A 142 -4.414 11.028 4.499 1.00 0.00 H new ATOM 0 HB ILE A 142 -1.913 11.451 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 142 -1.863 9.155 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 142 -2.312 9.113 7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -3.497 11.026 8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -4.031 12.407 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -4.821 10.823 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 142 -3.802 7.647 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 142 -4.725 8.993 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 142 -4.269 9.035 4.683 1.00 0.00 H new ATOM 2037 N SER A 143 -2.583 13.452 3.677 1.00 0.00 N ATOM 2038 CA SER A 143 -2.569 14.933 3.518 1.00 0.00 C ATOM 2039 C SER A 143 -3.699 15.355 2.576 1.00 0.00 C ATOM 2040 O SER A 143 -4.465 16.251 2.872 1.00 0.00 O ATOM 2041 CB SER A 143 -1.205 15.261 2.912 1.00 0.00 C ATOM 2042 OG SER A 143 -0.250 15.404 3.955 1.00 0.00 O ATOM 0 H SER A 143 -1.922 12.944 3.090 1.00 0.00 H new ATOM 0 HA SER A 143 -2.720 15.458 4.461 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.898 14.469 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.265 16.180 2.329 1.00 0.00 H new ATOM 0 HG SER A 143 0.627 15.613 3.570 1.00 0.00 H new ATOM 2048 N GLY A 144 -3.809 14.716 1.444 1.00 0.00 N ATOM 2049 CA GLY A 144 -4.890 15.078 0.483 1.00 0.00 C ATOM 2050 C GLY A 144 -6.187 14.356 0.871 1.00 0.00 C ATOM 2051 O GLY A 144 -7.238 14.619 0.320 1.00 0.00 O ATOM 0 H GLY A 144 -3.197 13.958 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -5.047 16.157 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -4.597 14.802 -0.530 1.00 0.00 H new ATOM 2055 N LEU A 145 -6.127 13.452 1.813 1.00 0.00 N ATOM 2056 CA LEU A 145 -7.360 12.725 2.227 1.00 0.00 C ATOM 2057 C LEU A 145 -8.176 13.616 3.170 1.00 0.00 C ATOM 2058 O LEU A 145 -7.879 14.781 3.346 1.00 0.00 O ATOM 2059 CB LEU A 145 -6.854 11.471 2.946 1.00 0.00 C ATOM 2060 CG LEU A 145 -7.944 10.395 2.954 1.00 0.00 C ATOM 2061 CD1 LEU A 145 -7.397 9.111 2.328 1.00 0.00 C ATOM 2062 CD2 LEU A 145 -8.372 10.107 4.395 1.00 0.00 C ATOM 0 H LEU A 145 -5.278 13.187 2.312 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.009 12.465 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -5.961 11.092 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -6.568 11.718 3.968 1.00 0.00 H new ATOM 0 HG LEU A 145 -8.802 10.748 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.172 8.345 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.090 9.309 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -6.539 8.763 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -9.148 9.341 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.513 9.756 4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -8.761 11.019 4.848 1.00 0.00 H new ATOM 2074 N GLN A 146 -9.203 13.083 3.774 1.00 0.00 N ATOM 2075 CA GLN A 146 -10.036 13.906 4.699 1.00 0.00 C ATOM 2076 C GLN A 146 -10.535 15.154 3.967 1.00 0.00 C ATOM 2077 O GLN A 146 -10.078 16.253 4.211 1.00 0.00 O ATOM 2078 CB GLN A 146 -9.106 14.291 5.852 1.00 0.00 C ATOM 2079 CG GLN A 146 -8.632 13.026 6.569 1.00 0.00 C ATOM 2080 CD GLN A 146 -7.242 12.635 6.071 1.00 0.00 C ATOM 2081 OE1 GLN A 146 -6.823 11.411 6.239 1.00 0.00 O flip ATOM 2082 NE2 GLN A 146 -6.529 13.450 5.521 1.00 0.00 N flip ATOM 0 H GLN A 146 -9.502 12.114 3.668 1.00 0.00 H new ATOM 0 HA GLN A 146 -10.913 13.368 5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 146 -8.250 14.849 5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 146 -9.628 14.944 6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 146 -8.608 13.195 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 146 -9.334 12.212 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 146 -6.856 14.407 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 146 -5.603 13.177 5.191 1.00 0.00 H new ATOM 2091 N SER A 147 -11.470 14.993 3.072 1.00 0.00 N ATOM 2092 CA SER A 147 -11.997 16.171 2.326 1.00 0.00 C ATOM 2093 C SER A 147 -13.514 16.047 2.174 1.00 0.00 C ATOM 2094 O SER A 147 -14.077 16.808 1.405 1.00 0.00 O ATOM 2095 CB SER A 147 -11.310 16.123 0.961 1.00 0.00 C ATOM 2096 OG SER A 147 -10.098 16.865 1.019 1.00 0.00 O ATOM 2097 OXT SER A 147 -14.088 15.193 2.831 1.00 0.00 O ATOM 0 H SER A 147 -11.892 14.098 2.825 1.00 0.00 H new ATOM 0 HA SER A 147 -11.800 17.112 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 147 -11.104 15.090 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 147 -11.967 16.536 0.196 1.00 0.00 H new ATOM 0 HG SER A 147 -9.773 16.888 1.943 1.00 0.00 H new TER 2103 SER A 147 HETATM 2104 FE HEM A 148 -7.420 2.680 -1.580 1.00 0.00 FE HETATM 2105 CHA HEM A 148 -8.919 2.597 -4.609 1.00 0.00 C HETATM 2106 CHB HEM A 148 -10.394 2.051 -0.092 1.00 0.00 C HETATM 2107 CHC HEM A 148 -5.906 2.673 1.443 1.00 0.00 C HETATM 2108 CHD HEM A 148 -4.455 3.370 -3.061 1.00 0.00 C HETATM 2109 NA HEM A 148 -9.250 2.387 -2.211 1.00 0.00 N HETATM 2110 C1A HEM A 148 -9.708 2.378 -3.508 1.00 0.00 C HETATM 2111 C2A HEM A 148 -11.128 2.129 -3.567 1.00 0.00 C HETATM 2112 C3A HEM A 148 -11.545 1.986 -2.295 1.00 0.00 C HETATM 2113 C4A HEM A 148 -10.378 2.145 -1.461 1.00 0.00 C HETATM 2114 CMA HEM A 148 -12.938 1.720 -1.838 1.00 0.00 C HETATM 2115 CAA HEM A 148 -11.968 2.048 -4.795 1.00 0.00 C HETATM 2116 CBA HEM A 148 -12.703 0.711 -4.910 1.00 0.00 C HETATM 2117 CGA HEM A 148 -14.170 0.962 -5.121 1.00 0.00 C HETATM 2118 O1A HEM A 148 -14.717 1.875 -4.447 1.00 0.00 O HETATM 2119 O2A HEM A 148 -14.778 0.247 -5.962 1.00 0.00 O HETATM 2120 NB HEM A 148 -8.018 2.426 0.266 1.00 0.00 N HETATM 2121 C1B HEM A 148 -9.294 2.179 0.720 1.00 0.00 C HETATM 2122 C2B HEM A 148 -9.328 2.047 2.157 1.00 0.00 C HETATM 2123 C3B HEM A 148 -8.062 2.207 2.585 1.00 0.00 C HETATM 2124 C4B HEM A 148 -7.258 2.444 1.412 1.00 0.00 C HETATM 2125 CMB HEM A 148 -10.528 1.792 3.002 1.00 0.00 C HETATM 2126 CAB HEM A 148 -7.616 2.131 3.888 1.00 0.00 C HETATM 2127 CBB HEM A 148 -6.912 1.030 4.331 1.00 0.00 C HETATM 2128 NC HEM A 148 -5.589 2.965 -0.948 1.00 0.00 N HETATM 2129 C1C HEM A 148 -5.122 2.918 0.345 1.00 0.00 C HETATM 2130 C2C HEM A 148 -3.703 3.170 0.407 1.00 0.00 C HETATM 2131 C3C HEM A 148 -3.295 3.378 -0.859 1.00 0.00 C HETATM 2132 C4C HEM A 148 -4.466 3.248 -1.694 1.00 0.00 C HETATM 2133 CMC HEM A 148 -2.855 3.181 1.632 1.00 0.00 C HETATM 2134 CAC HEM A 148 -2.009 3.660 -1.275 1.00 0.00 C HETATM 2135 CBC HEM A 148 -0.973 2.781 -1.029 1.00 0.00 C HETATM 2136 ND HEM A 148 -6.821 2.931 -3.426 1.00 0.00 N HETATM 2137 C1D HEM A 148 -5.551 3.221 -3.875 1.00 0.00 C HETATM 2138 C2D HEM A 148 -5.512 3.330 -5.313 1.00 0.00 C HETATM 2139 C3D HEM A 148 -6.765 3.104 -5.750 1.00 0.00 C HETATM 2140 C4D HEM A 148 -7.571 2.858 -4.577 1.00 0.00 C HETATM 2141 CMD HEM A 148 -4.317 3.635 -6.151 1.00 0.00 C HETATM 2142 CAD HEM A 148 -7.230 3.108 -7.165 1.00 0.00 C HETATM 2143 CBD HEM A 148 -7.589 4.512 -7.656 1.00 0.00 C HETATM 2144 CGD HEM A 148 -7.336 4.606 -9.136 1.00 0.00 C HETATM 2145 O1D HEM A 148 -8.333 4.699 -9.901 1.00 0.00 O HETATM 2146 O2D HEM A 148 -6.141 4.586 -9.535 1.00 0.00 O HETATM 0 HMA1 HEM A 148 -12.914 1.153 -0.907 1.00 0.00 H new HETATM 0 HMA2 HEM A 148 -13.467 1.146 -2.599 1.00 0.00 H new HETATM 0 HMA3 HEM A 148 -13.454 2.666 -1.673 1.00 0.00 H new HETATM 0 HMB1 HEM A 148 -10.235 1.236 3.892 1.00 0.00 H new HETATM 0 HMB2 HEM A 148 -11.256 1.211 2.435 1.00 0.00 H new HETATM 0 HMB3 HEM A 148 -10.973 2.742 3.298 1.00 0.00 H new HETATM 0 HMC1 HEM A 148 -3.454 3.497 2.486 1.00 0.00 H new HETATM 0 HMC2 HEM A 148 -2.026 3.875 1.494 1.00 0.00 H new HETATM 0 HMC3 HEM A 148 -2.464 2.180 1.813 1.00 0.00 H new HETATM 0 HMD1 HEM A 148 -4.423 3.156 -7.124 1.00 0.00 H new HETATM 0 HMD2 HEM A 148 -3.421 3.259 -5.657 1.00 0.00 H new HETATM 0 HMD3 HEM A 148 -4.232 4.713 -6.285 1.00 0.00 H new HETATM 0 HBB1 HEM A 148 -6.566 0.984 5.364 1.00 0.00 H new HETATM 0 HBB2 HEM A 148 -6.702 0.207 3.648 1.00 0.00 H new HETATM 0 HBC1 HEM A 148 0.036 3.020 -1.365 1.00 0.00 H new HETATM 0 HBC2 HEM A 148 -1.164 1.848 -0.499 1.00 0.00 H new HETATM 0 HBA1 HEM A 148 -12.550 0.121 -4.006 1.00 0.00 H new HETATM 0 HBA2 HEM A 148 -12.299 0.132 -5.741 1.00 0.00 H new HETATM 0 HAA1 HEM A 148 -11.338 2.190 -5.673 1.00 0.00 H new HETATM 0 HAA2 HEM A 148 -12.695 2.860 -4.789 1.00 0.00 H new HETATM 0 HBD1 HEM A 148 -6.995 5.257 -7.127 1.00 0.00 H new HETATM 0 HBD2 HEM A 148 -8.636 4.727 -7.441 1.00 0.00 H new HETATM 0 HAD1 HEM A 148 -8.100 2.459 -7.261 1.00 0.00 H new HETATM 0 HAD2 HEM A 148 -6.450 2.691 -7.802 1.00 0.00 H new HETATM 0 HHA HEM A 148 -9.396 2.561 -5.577 1.00 0.00 H new HETATM 0 HHB HEM A 148 -11.345 1.862 0.383 1.00 0.00 H new HETATM 0 HHC HEM A 148 -5.421 2.659 2.408 1.00 0.00 H new HETATM 0 HHD HEM A 148 -3.511 3.601 -3.533 1.00 0.00 H new HETATM 0 HAB HEM A 148 -7.822 2.951 4.576 1.00 0.00 H new HETATM 0 HAC HEM A 148 -1.809 4.591 -1.806 1.00 0.00 H new HETATM 2177 C CMO A 149 -7.076 0.818 -1.725 1.00 0.00 C HETATM 2178 O CMO A 149 -6.873 -0.288 -1.811 1.00 0.00 O