USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 603 LYS NZ :NH3+ -146:sc= 0.669 (180deg=-0.864) USER MOD Set 1.2: B 5 U O2' : rot 109:sc= -1.52! USER MOD Set 2.1: A 531 SER OG : rot 120:sc= 0.286 USER MOD Set 2.2: A 584 ASN : amide:sc= 0.419 X(o=0.71,f=0.97) USER MOD Set 3.1: A 574 GLN : amide:sc= -0.221 X(o=-2.7,f=-2.6) USER MOD Set 3.2: A 577 GLN : amide:sc= -2.43! X(o=-2.7!,f=-2.3) USER MOD Set 4.1: A 553 MET CE :methyl -113:sc= -0.617 (180deg=-3.47!) USER MOD Set 4.2: A 556 THR OG1 : rot -76:sc= -0.231 USER MOD Set 5.1: A 548 THR OG1 : rot 180:sc= 0.0112 USER MOD Set 5.2: A 549 ASN :FLIP amide:sc= -0.129 F(o=-2.1,f=-0.12) USER MOD Set 6.1: A 523 HIS :FLIP no HE2:sc= -3.49! F(o=-6.7,f=-4.9!) USER MOD Set 6.2: A 558 GLN : amide:sc= -1.36 K(o=-4.9,f=-7.9) USER MOD Single : A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 GLN : amide:sc= 0.755 K(o=0.76,f=-0.016) USER MOD Single : A 516 LYS NZ :NH3+ -116:sc= 1.18 (180deg=0.235) USER MOD Single : A 525 CYS SG : rot -28:sc= -1.06! USER MOD Single : A 526 ASN : amide:sc= 0.138 K(o=0.14,f=-0.88) USER MOD Single : A 532 CYS SG : rot 18:sc= 0.137 USER MOD Single : A 533 THR OG1 : rot -124:sc= 1.89 USER MOD Single : A 535 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 539 ASN :FLIP amide:sc= -1.85 F(o=-4.7!,f=-1.8) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot -3:sc= -0.145 USER MOD Single : A 554 LYS NZ :NH3+ 161:sc= -0.112 (180deg=-0.431) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.3 K(o=-0.3,f=-3!) USER MOD Single : A 563 MET CE :methyl -176:sc= -5.22! (180deg=-5.42!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.39) USER MOD Single : A 572 MET CE :methyl 167:sc= -4.25! (180deg=-4.92!) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 50:sc= -0.638 USER MOD Single : A 579 LYS NZ :NH3+ -166:sc= -0.0324 (180deg=-0.255) USER MOD Single : A 587 LYS NZ :NH3+ 170:sc=-0.00636 (180deg=-0.108) USER MOD Single : A 592 MET CE :methyl -131:sc= 0 (180deg=-0.358) USER MOD Single : A 593 SER OG : rot -30:sc= -0.894 USER MOD Single : A 594 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 596 TYR OH : rot 47:sc= 0.896 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= -0.986 X(o=-0.99,f=-1) USER MOD Single : A 602 LYS NZ :NH3+ -169:sc= -0.0169 (180deg=-0.14) USER MOD Single : A 606 LYS NZ :NH3+ 149:sc= 1.16 (180deg=0.709) USER MOD Single : A 607 ASN : amide:sc= -0.201 K(o=-0.2,f=-8.6!) USER MOD Single : A 613 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 616 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 617 SER OG : rot 89:sc= 1.29 USER MOD Single : A 618 GLN : amide:sc=-0.00908 K(o=-0.0091,f=-0.98) USER MOD Single : B 1 ADN O2' : rot 153:sc= 0.482 USER MOD Single : B 1 ADN O5' : rot 180:sc= -0.0463 USER MOD Single : B 2 U O2' : rot 180:sc= -1.66 USER MOD Single : B 3 C O2' : rot 71:sc= -0.0647 USER MOD Single : B 4 U O2' : rot 146:sc= 1.29 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 137:sc= 0.233 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 8.606 -1.007 -13.559 1.00 3.64 O HETATM 2 C5' ADN B 1 7.867 -0.317 -12.547 1.00 3.04 C HETATM 3 C4' ADN B 1 7.895 -1.067 -11.235 1.00 2.61 C HETATM 4 O4' ADN B 1 7.365 -2.401 -11.457 1.00 3.25 O HETATM 5 C3' ADN B 1 9.282 -1.280 -10.641 1.00 2.05 C HETATM 6 O3' ADN B 1 9.229 -1.328 -9.219 1.00 2.33 O HETATM 7 C2' ADN B 1 9.709 -2.620 -11.231 1.00 2.68 C HETATM 8 O2' ADN B 1 10.624 -3.300 -10.395 1.00 3.28 O HETATM 9 C1' ADN B 1 8.375 -3.366 -11.238 1.00 3.33 C HETATM 10 N9 ADN B 1 8.279 -4.372 -12.293 1.00 4.21 N HETATM 11 C8 ADN B 1 7.550 -4.298 -13.452 1.00 4.58 C HETATM 12 N7 ADN B 1 7.667 -5.353 -14.220 1.00 5.53 N HETATM 13 C5 ADN B 1 8.534 -6.179 -13.518 1.00 5.90 C HETATM 14 C6 ADN B 1 9.059 -7.452 -13.797 1.00 7.05 C HETATM 15 N6 ADN B 1 8.777 -8.143 -14.904 1.00 7.92 N HETATM 16 N1 ADN B 1 9.896 -7.998 -12.888 1.00 7.44 N HETATM 17 C2 ADN B 1 10.178 -7.305 -11.778 1.00 6.72 C HETATM 18 N3 ADN B 1 9.747 -6.101 -11.403 1.00 5.56 N HETATM 19 C4 ADN B 1 8.919 -5.588 -12.328 1.00 5.16 C HETATM 0 HO5' ADN B 1 8.568 -0.498 -14.396 1.00 3.64 H new HETATM 0 HO2' ADN B 1 10.549 -4.266 -10.545 1.00 3.28 H new HETATM 0 HN62 ADN B 1 9.190 -9.064 -15.049 1.00 7.92 H new HETATM 0 HN61 ADN B 1 8.148 -7.750 -15.604 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 8.284 0.680 -12.407 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 6.835 -0.188 -12.872 1.00 3.04 H new HETATM 0 H8 ADN B 1 6.930 -3.440 -13.711 1.00 4.58 H new HETATM 0 H4' ADN B 1 7.318 -0.452 -10.544 1.00 2.61 H new HETATM 0 H3' ADN B 1 9.978 -0.474 -10.873 1.00 2.05 H new HETATM 0 H2' ADN B 1 10.210 -2.530 -12.195 1.00 2.68 H new HETATM 0 H2 ADN B 1 10.857 -7.796 -11.081 1.00 6.72 H new HETATM 0 H1' ADN B 1 8.274 -3.891 -10.288 1.00 3.33 H new ATOM 32 P U B 2 10.170 -0.363 -8.343 1.00 2.37 P ATOM 33 OP1 U B 2 10.583 0.790 -9.183 1.00 2.99 O ATOM 34 OP2 U B 2 11.213 -1.207 -7.709 1.00 2.93 O ATOM 35 O5' U B 2 9.205 0.177 -7.196 1.00 2.04 O ATOM 36 C5' U B 2 8.016 0.895 -7.514 1.00 1.73 C ATOM 37 C4' U B 2 8.367 2.242 -8.098 1.00 1.24 C ATOM 38 O4' U B 2 8.096 2.218 -9.528 1.00 1.07 O ATOM 39 C3' U B 2 7.564 3.421 -7.556 1.00 0.95 C ATOM 40 O3' U B 2 8.358 4.605 -7.536 1.00 0.97 O ATOM 41 C2' U B 2 6.411 3.513 -8.551 1.00 0.83 C ATOM 42 O2' U B 2 5.829 4.799 -8.603 1.00 1.12 O ATOM 43 C1' U B 2 7.174 3.241 -9.843 1.00 0.74 C ATOM 44 N1 U B 2 6.327 2.806 -10.962 1.00 0.76 N ATOM 45 C2 U B 2 6.359 3.564 -12.120 1.00 1.11 C ATOM 46 O2 U B 2 7.068 4.547 -12.247 1.00 1.49 O ATOM 47 N3 U B 2 5.532 3.126 -13.124 1.00 1.23 N ATOM 48 C4 U B 2 4.695 2.031 -13.090 1.00 1.12 C ATOM 49 O4 U B 2 4.000 1.769 -14.074 1.00 1.35 O ATOM 50 C5 U B 2 4.722 1.301 -11.861 1.00 1.05 C ATOM 51 C6 U B 2 5.516 1.698 -10.861 1.00 0.89 C ATOM 0 H5' U B 2 7.409 1.025 -6.618 1.00 1.73 H new ATOM 0 H5'' U B 2 7.417 0.326 -8.225 1.00 1.73 H new ATOM 0 H4' U B 2 9.413 2.393 -7.832 1.00 1.24 H new ATOM 0 H3' U B 2 7.225 3.299 -6.527 1.00 0.95 H new ATOM 0 H2' U B 2 5.577 2.849 -8.322 1.00 0.83 H new ATOM 0 HO2' U B 2 5.098 4.801 -9.256 1.00 1.12 H new ATOM 0 H1' U B 2 7.640 4.166 -10.182 1.00 0.74 H new ATOM 0 H3 U B 2 5.537 3.669 -13.988 1.00 1.23 H new ATOM 0 H5 U B 2 4.100 0.427 -11.740 1.00 1.05 H new ATOM 0 H6 U B 2 5.521 1.130 -9.942 1.00 0.89 H new ATOM 62 P C B 3 7.773 5.958 -6.894 1.00 1.05 P ATOM 63 OP1 C B 3 6.812 5.559 -5.836 1.00 1.58 O ATOM 64 OP2 C B 3 7.337 6.846 -8.002 1.00 1.17 O ATOM 65 O5' C B 3 9.025 6.643 -6.185 1.00 1.07 O ATOM 66 C5' C B 3 8.840 7.757 -5.311 1.00 0.98 C ATOM 67 C4' C B 3 8.778 7.295 -3.872 1.00 0.86 C ATOM 68 O4' C B 3 8.829 5.841 -3.846 1.00 0.90 O ATOM 69 C3' C B 3 9.945 7.747 -3.005 1.00 0.69 C ATOM 70 O3' C B 3 9.547 7.878 -1.642 1.00 0.87 O ATOM 71 C2' C B 3 10.955 6.623 -3.192 1.00 0.63 C ATOM 72 O2' C B 3 11.841 6.506 -2.098 1.00 0.82 O ATOM 73 C1' C B 3 10.026 5.412 -3.225 1.00 0.75 C ATOM 74 N1 C B 3 10.560 4.275 -3.987 1.00 0.69 N ATOM 75 C2 C B 3 11.012 3.146 -3.298 1.00 0.96 C ATOM 76 O2 C B 3 11.001 3.150 -2.058 1.00 1.32 O ATOM 77 N3 C B 3 11.472 2.083 -4.000 1.00 0.95 N ATOM 78 C4 C B 3 11.493 2.127 -5.335 1.00 0.70 C ATOM 79 N4 C B 3 11.938 1.055 -5.989 1.00 0.76 N ATOM 80 C5 C B 3 11.047 3.267 -6.061 1.00 0.69 C ATOM 81 C6 C B 3 10.592 4.308 -5.354 1.00 0.67 C ATOM 0 H5' C B 3 7.921 8.282 -5.571 1.00 0.98 H new ATOM 0 H5'' C B 3 9.658 8.466 -5.437 1.00 0.98 H new ATOM 0 H4' C B 3 7.860 7.728 -3.475 1.00 0.86 H new ATOM 0 H3' C B 3 10.341 8.725 -3.278 1.00 0.69 H new ATOM 0 H2' C B 3 11.596 6.760 -4.063 1.00 0.63 H new ATOM 0 HO2' C B 3 11.358 6.151 -1.323 1.00 0.82 H new ATOM 0 H1' C B 3 9.888 5.060 -2.203 1.00 0.75 H new ATOM 0 H41 C B 3 11.967 1.055 -7.009 1.00 0.76 H new ATOM 0 H42 C B 3 12.249 0.234 -5.470 1.00 0.76 H new ATOM 0 H5 C B 3 11.075 3.291 -7.140 1.00 0.69 H new ATOM 0 H6 C B 3 10.244 5.190 -5.872 1.00 0.67 H new ATOM 93 P U B 4 9.370 9.330 -0.971 1.00 0.75 P ATOM 94 OP1 U B 4 10.010 10.325 -1.871 1.00 1.02 O ATOM 95 OP2 U B 4 9.805 9.243 0.445 1.00 1.15 O ATOM 96 O5' U B 4 7.799 9.592 -0.990 1.00 0.71 O ATOM 97 C5' U B 4 7.286 10.920 -0.894 1.00 0.76 C ATOM 98 C4' U B 4 6.125 10.983 0.073 1.00 0.65 C ATOM 99 O4' U B 4 6.094 9.774 0.883 1.00 0.61 O ATOM 100 C3' U B 4 6.173 12.142 1.065 1.00 0.67 C ATOM 101 O3' U B 4 4.878 12.701 1.255 1.00 0.79 O ATOM 102 C2' U B 4 6.695 11.503 2.346 1.00 0.63 C ATOM 103 O2' U B 4 6.231 12.167 3.505 1.00 0.77 O ATOM 104 C1' U B 4 6.040 10.130 2.248 1.00 0.58 C ATOM 105 N1 U B 4 6.700 9.095 3.056 1.00 0.58 N ATOM 106 C2 U B 4 6.479 9.116 4.422 1.00 0.66 C ATOM 107 O2 U B 4 5.781 9.955 4.968 1.00 0.71 O ATOM 108 N3 U B 4 7.110 8.125 5.127 1.00 0.75 N ATOM 109 C4 U B 4 7.923 7.135 4.622 1.00 0.79 C ATOM 110 O4 U B 4 8.417 6.309 5.391 1.00 0.93 O ATOM 111 C5 U B 4 8.104 7.180 3.203 1.00 0.72 C ATOM 112 C6 U B 4 7.502 8.133 2.482 1.00 0.62 C ATOM 0 H5' U B 4 6.964 11.261 -1.878 1.00 0.76 H new ATOM 0 H5'' U B 4 8.075 11.596 -0.565 1.00 0.76 H new ATOM 0 H4' U B 4 5.250 11.110 -0.565 1.00 0.65 H new ATOM 0 H3' U B 4 6.801 12.966 0.725 1.00 0.67 H new ATOM 0 H2' U B 4 7.782 11.515 2.430 1.00 0.63 H new ATOM 0 HO2' U B 4 6.091 11.514 4.222 1.00 0.77 H new ATOM 0 H1' U B 4 5.024 10.192 2.639 1.00 0.58 H new ATOM 0 H3 U B 4 6.961 8.120 6.136 1.00 0.75 H new ATOM 0 H5 U B 4 8.726 6.445 2.714 1.00 0.72 H new ATOM 0 H6 U B 4 7.650 8.149 1.412 1.00 0.62 H new ATOM 123 P U B 5 4.640 14.269 1.010 1.00 0.85 P ATOM 124 OP1 U B 5 5.315 14.628 -0.265 1.00 1.03 O ATOM 125 OP2 U B 5 4.991 14.995 2.256 1.00 1.33 O ATOM 126 O5' U B 5 3.069 14.389 0.789 1.00 0.85 O ATOM 127 C5' U B 5 2.426 13.695 -0.278 1.00 0.75 C ATOM 128 C4' U B 5 1.077 13.190 0.172 1.00 0.55 C ATOM 129 O4' U B 5 1.270 12.046 1.047 1.00 0.43 O ATOM 130 C3' U B 5 0.240 14.192 0.966 1.00 0.55 C ATOM 131 O3' U B 5 -1.121 14.163 0.556 1.00 0.57 O ATOM 132 C2' U B 5 0.401 13.744 2.414 1.00 0.48 C ATOM 133 O2' U B 5 -0.749 14.016 3.192 1.00 0.53 O ATOM 134 C1' U B 5 0.534 12.237 2.236 1.00 0.37 C ATOM 135 N1 U B 5 1.220 11.570 3.350 1.00 0.37 N ATOM 136 C2 U B 5 0.467 10.736 4.154 1.00 0.37 C ATOM 137 O2 U B 5 -0.714 10.513 3.954 1.00 0.40 O ATOM 138 N3 U B 5 1.149 10.162 5.197 1.00 0.43 N ATOM 139 C4 U B 5 2.480 10.333 5.507 1.00 0.48 C ATOM 140 O4 U B 5 2.952 9.747 6.480 1.00 0.56 O ATOM 141 C5 U B 5 3.190 11.208 4.625 1.00 0.49 C ATOM 142 C6 U B 5 2.555 11.785 3.601 1.00 0.44 C ATOM 0 H5' U B 5 3.045 12.860 -0.605 1.00 0.75 H new ATOM 0 H5'' U B 5 2.308 14.358 -1.135 1.00 0.75 H new ATOM 0 H4' U B 5 0.541 12.963 -0.750 1.00 0.55 H new ATOM 0 H3' U B 5 0.563 15.222 0.815 1.00 0.55 H new ATOM 0 H2' U B 5 1.224 14.242 2.926 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.206 13.176 3.405 1.00 0.53 H new ATOM 0 H1' U B 5 -0.462 11.795 2.200 1.00 0.37 H new ATOM 0 H3 U B 5 0.614 9.544 5.807 1.00 0.43 H new ATOM 0 H5 U B 5 4.240 11.402 4.787 1.00 0.49 H new ATOM 0 H6 U B 5 3.109 12.443 2.948 1.00 0.44 H new ATOM 153 P A B 6 -1.661 15.268 -0.477 1.00 0.96 P ATOM 154 OP1 A B 6 -1.169 14.911 -1.832 1.00 1.91 O ATOM 155 OP2 A B 6 -1.344 16.600 0.097 1.00 1.79 O ATOM 156 O5' A B 6 -3.243 15.086 -0.452 1.00 1.70 O ATOM 157 C5' A B 6 -4.111 16.089 -0.975 1.00 2.27 C ATOM 158 C4' A B 6 -5.444 15.484 -1.349 1.00 2.74 C ATOM 159 O4' A B 6 -5.831 14.536 -0.317 1.00 2.62 O ATOM 160 C3' A B 6 -6.606 16.467 -1.456 1.00 3.36 C ATOM 161 O3' A B 6 -7.530 16.081 -2.477 1.00 4.05 O ATOM 162 C2' A B 6 -7.255 16.415 -0.077 1.00 3.45 C ATOM 163 O2' A B 6 -8.642 16.673 -0.141 1.00 4.23 O ATOM 164 C1' A B 6 -7.034 14.951 0.299 1.00 3.13 C ATOM 165 N9 A B 6 -6.920 14.744 1.742 1.00 3.07 N ATOM 166 C8 A B 6 -7.932 14.781 2.667 1.00 3.68 C ATOM 167 N7 A B 6 -7.534 14.566 3.897 1.00 3.79 N ATOM 168 C5 A B 6 -6.164 14.378 3.775 1.00 3.15 C ATOM 169 C6 A B 6 -5.160 14.109 4.719 1.00 3.12 C ATOM 170 N6 A B 6 -5.393 13.970 6.025 1.00 3.76 N ATOM 171 N1 A B 6 -3.892 13.979 4.270 1.00 2.64 N ATOM 172 C2 A B 6 -3.664 14.109 2.956 1.00 2.25 C ATOM 173 N3 A B 6 -4.524 14.361 1.971 1.00 2.28 N ATOM 174 C4 A B 6 -5.773 14.484 2.453 1.00 2.69 C ATOM 0 H5' A B 6 -3.656 16.553 -1.850 1.00 2.27 H new ATOM 0 H5'' A B 6 -4.256 16.876 -0.235 1.00 2.27 H new ATOM 0 H4' A B 6 -5.282 15.048 -2.335 1.00 2.74 H new ATOM 0 H3' A B 6 -6.278 17.469 -1.731 1.00 3.36 H new ATOM 0 H2' A B 6 -6.848 17.149 0.619 1.00 3.45 H new ATOM 0 HO2' A B 6 -9.025 16.630 0.760 1.00 4.23 H new ATOM 0 HO3' A B 6 -8.446 16.195 -2.149 1.00 4.05 H new ATOM 0 H1' A B 6 -7.897 14.375 -0.037 1.00 3.13 H new ATOM 0 H8 A B 6 -8.963 14.970 2.406 1.00 3.68 H new ATOM 0 H61 A B 6 -4.621 13.775 6.663 1.00 3.76 H new ATOM 0 H62 A B 6 -6.343 14.059 6.386 1.00 3.76 H new ATOM 0 H2 A B 6 -2.634 13.993 2.652 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 18.341 0.087 0.322 1.00 8.88 N ATOM 189 CA GLY A 510 17.470 -0.984 0.869 1.00 8.14 C ATOM 190 C GLY A 510 17.196 -2.079 -0.144 1.00 7.17 C ATOM 191 O GLY A 510 16.288 -2.897 0.041 1.00 7.17 O ATOM 0 HA2 GLY A 510 17.942 -1.418 1.750 1.00 8.14 H new ATOM 0 HA3 GLY A 510 16.525 -0.549 1.195 1.00 8.14 H new ATOM 197 N ALA A 511 17.972 -2.090 -1.221 1.00 6.63 N ATOM 198 CA ALA A 511 17.855 -3.116 -2.244 1.00 5.95 C ATOM 199 C ALA A 511 18.853 -4.234 -1.979 1.00 5.06 C ATOM 200 O ALA A 511 19.573 -4.192 -0.979 1.00 5.04 O ATOM 201 CB ALA A 511 18.082 -2.514 -3.621 1.00 6.64 C ATOM 0 H ALA A 511 18.693 -1.393 -1.407 1.00 6.63 H new ATOM 0 HA ALA A 511 16.849 -3.533 -2.212 1.00 5.95 H new ATOM 0 HB1 ALA A 511 17.992 -3.293 -4.378 1.00 6.64 H new ATOM 0 HB2 ALA A 511 17.338 -1.739 -3.807 1.00 6.64 H new ATOM 0 HB3 ALA A 511 19.080 -2.077 -3.667 1.00 6.64 H new ATOM 207 N MET A 512 18.899 -5.214 -2.881 1.00 4.71 N ATOM 208 CA MET A 512 19.762 -6.385 -2.729 1.00 4.26 C ATOM 209 C MET A 512 19.377 -7.139 -1.462 1.00 3.49 C ATOM 210 O MET A 512 19.926 -6.891 -0.382 1.00 3.57 O ATOM 211 CB MET A 512 21.239 -5.977 -2.693 1.00 4.93 C ATOM 212 CG MET A 512 22.201 -7.151 -2.744 1.00 5.06 C ATOM 213 SD MET A 512 23.925 -6.627 -2.720 1.00 5.85 S ATOM 214 CE MET A 512 24.756 -8.202 -2.911 1.00 6.33 C ATOM 0 H MET A 512 18.341 -5.219 -3.735 1.00 4.71 H new ATOM 0 HA MET A 512 19.624 -7.040 -3.589 1.00 4.26 H new ATOM 0 HB2 MET A 512 21.444 -5.315 -3.534 1.00 4.93 H new ATOM 0 HB3 MET A 512 21.426 -5.405 -1.784 1.00 4.93 H new ATOM 0 HG2 MET A 512 22.012 -7.809 -1.896 1.00 5.06 H new ATOM 0 HG3 MET A 512 22.013 -7.732 -3.647 1.00 5.06 H new ATOM 0 HE1 MET A 512 25.835 -8.046 -2.915 1.00 6.33 H new ATOM 0 HE2 MET A 512 24.487 -8.858 -2.083 1.00 6.33 H new ATOM 0 HE3 MET A 512 24.452 -8.662 -3.851 1.00 6.33 H new ATOM 224 N ALA A 513 18.429 -8.059 -1.614 1.00 3.37 N ATOM 225 CA ALA A 513 17.777 -8.706 -0.485 1.00 3.26 C ATOM 226 C ALA A 513 17.006 -7.657 0.304 1.00 2.63 C ATOM 227 O ALA A 513 17.447 -7.208 1.362 1.00 3.17 O ATOM 228 CB ALA A 513 18.777 -9.450 0.395 1.00 4.20 C ATOM 0 H ALA A 513 18.093 -8.375 -2.524 1.00 3.37 H new ATOM 0 HA ALA A 513 17.082 -9.458 -0.857 1.00 3.26 H new ATOM 0 HB1 ALA A 513 18.251 -9.919 1.227 1.00 4.20 H new ATOM 0 HB2 ALA A 513 19.281 -10.216 -0.194 1.00 4.20 H new ATOM 0 HB3 ALA A 513 19.514 -8.747 0.782 1.00 4.20 H new ATOM 234 N GLN A 514 15.861 -7.259 -0.247 1.00 1.97 N ATOM 235 CA GLN A 514 15.063 -6.167 0.299 1.00 1.53 C ATOM 236 C GLN A 514 14.771 -6.377 1.777 1.00 1.41 C ATOM 237 O GLN A 514 14.088 -7.327 2.163 1.00 1.94 O ATOM 238 CB GLN A 514 13.757 -6.018 -0.485 1.00 1.48 C ATOM 239 CG GLN A 514 13.970 -5.731 -1.963 1.00 1.76 C ATOM 240 CD GLN A 514 12.676 -5.473 -2.707 1.00 2.06 C ATOM 241 OE1 GLN A 514 12.044 -6.394 -3.224 1.00 2.88 O ATOM 242 NE2 GLN A 514 12.279 -4.214 -2.772 1.00 2.17 N ATOM 0 H GLN A 514 15.462 -7.685 -1.084 1.00 1.97 H new ATOM 0 HA GLN A 514 15.642 -5.249 0.200 1.00 1.53 H new ATOM 0 HB2 GLN A 514 13.173 -6.932 -0.380 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.169 -5.212 -0.047 1.00 1.48 H new ATOM 0 HG2 GLN A 514 14.623 -4.865 -2.069 1.00 1.76 H new ATOM 0 HG3 GLN A 514 14.484 -6.576 -2.421 1.00 1.76 H new ATOM 0 HE21 GLN A 514 12.833 -3.481 -2.329 1.00 2.17 H new ATOM 0 HE22 GLN A 514 11.418 -3.975 -3.265 1.00 2.17 H new ATOM 251 N ARG A 515 15.304 -5.479 2.591 1.00 1.22 N ATOM 252 CA ARG A 515 15.167 -5.568 4.036 1.00 1.19 C ATOM 253 C ARG A 515 13.736 -5.257 4.442 1.00 1.13 C ATOM 254 O ARG A 515 13.267 -4.127 4.279 1.00 1.84 O ATOM 255 CB ARG A 515 16.136 -4.596 4.712 1.00 1.39 C ATOM 256 CG ARG A 515 17.568 -4.743 4.223 1.00 1.59 C ATOM 257 CD ARG A 515 18.118 -6.136 4.480 1.00 1.75 C ATOM 258 NE ARG A 515 19.084 -6.533 3.457 1.00 2.36 N ATOM 259 CZ ARG A 515 20.196 -7.220 3.699 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.508 -7.580 4.941 1.00 3.44 N ATOM 261 NH2 ARG A 515 20.994 -7.557 2.693 1.00 4.00 N ATOM 0 H ARG A 515 15.841 -4.673 2.271 1.00 1.22 H new ATOM 0 HA ARG A 515 15.408 -6.582 4.356 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.800 -3.575 4.533 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.108 -4.756 5.790 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.610 -4.528 3.155 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.199 -4.007 4.721 1.00 1.59 H new ATOM 0 HD2 ARG A 515 18.594 -6.164 5.460 1.00 1.75 H new ATOM 0 HD3 ARG A 515 17.297 -6.853 4.503 1.00 1.75 H new ATOM 0 HE ARG A 515 18.892 -6.265 2.492 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.892 -7.329 5.715 1.00 3.44 H new ATOM 0 HH12 ARG A 515 21.363 -8.107 5.120 1.00 3.44 H new ATOM 0 HH21 ARG A 515 20.753 -7.289 1.739 1.00 4.00 H new ATOM 0 HH22 ARG A 515 21.848 -8.084 2.874 1.00 4.00 H new ATOM 275 N LYS A 516 13.038 -6.275 4.926 1.00 0.82 N ATOM 276 CA LYS A 516 11.643 -6.144 5.322 1.00 0.79 C ATOM 277 C LYS A 516 11.386 -6.960 6.586 1.00 0.90 C ATOM 278 O LYS A 516 10.314 -7.539 6.768 1.00 1.11 O ATOM 279 CB LYS A 516 10.715 -6.609 4.187 1.00 0.97 C ATOM 280 CG LYS A 516 10.847 -5.795 2.906 1.00 1.06 C ATOM 281 CD LYS A 516 10.326 -4.378 3.086 1.00 1.07 C ATOM 282 CE LYS A 516 10.705 -3.483 1.916 1.00 1.24 C ATOM 283 NZ LYS A 516 12.160 -3.174 1.899 1.00 1.89 N ATOM 0 H LYS A 516 13.421 -7.212 5.055 1.00 0.82 H new ATOM 0 HA LYS A 516 11.432 -5.095 5.528 1.00 0.79 H new ATOM 0 HB2 LYS A 516 10.926 -7.655 3.964 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.682 -6.559 4.532 1.00 0.97 H new ATOM 0 HG2 LYS A 516 11.893 -5.763 2.601 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.296 -6.286 2.104 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.241 -4.400 3.190 1.00 1.07 H new ATOM 0 HD3 LYS A 516 10.726 -3.958 4.009 1.00 1.07 H new ATOM 0 HE2 LYS A 516 10.427 -3.971 0.982 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.138 -2.554 1.972 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.300 -2.153 2.038 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 12.635 -3.696 2.663 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 12.564 -3.457 0.984 1.00 1.89 H new ATOM 297 N GLY A 517 12.382 -6.993 7.460 1.00 0.96 N ATOM 298 CA GLY A 517 12.280 -7.776 8.675 1.00 1.13 C ATOM 299 C GLY A 517 11.788 -6.954 9.848 1.00 1.25 C ATOM 300 O GLY A 517 10.629 -7.066 10.252 1.00 2.04 O ATOM 0 H GLY A 517 13.262 -6.490 7.349 1.00 0.96 H new ATOM 0 HA2 GLY A 517 11.601 -8.612 8.510 1.00 1.13 H new ATOM 0 HA3 GLY A 517 13.255 -8.200 8.915 1.00 1.13 H new ATOM 304 N ALA A 518 12.662 -6.116 10.387 1.00 1.01 N ATOM 305 CA ALA A 518 12.308 -5.268 11.519 1.00 1.14 C ATOM 306 C ALA A 518 11.598 -4.013 11.040 1.00 1.08 C ATOM 307 O ALA A 518 11.030 -3.253 11.828 1.00 1.75 O ATOM 308 CB ALA A 518 13.548 -4.913 12.325 1.00 1.41 C ATOM 0 H ALA A 518 13.622 -6.004 10.060 1.00 1.01 H new ATOM 0 HA ALA A 518 11.626 -5.819 12.167 1.00 1.14 H new ATOM 0 HB1 ALA A 518 13.266 -4.280 13.166 1.00 1.41 H new ATOM 0 HB2 ALA A 518 14.013 -5.826 12.698 1.00 1.41 H new ATOM 0 HB3 ALA A 518 14.254 -4.379 11.690 1.00 1.41 H new ATOM 314 N GLY A 519 11.636 -3.815 9.741 1.00 0.67 N ATOM 315 CA GLY A 519 10.969 -2.693 9.125 1.00 0.60 C ATOM 316 C GLY A 519 10.482 -3.051 7.745 1.00 0.50 C ATOM 317 O GLY A 519 11.184 -3.734 7.003 1.00 0.51 O ATOM 0 H GLY A 519 12.127 -4.424 9.087 1.00 0.67 H new ATOM 0 HA2 GLY A 519 10.127 -2.381 9.743 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.652 -1.846 9.066 1.00 0.60 H new ATOM 321 N ARG A 520 9.282 -2.621 7.387 1.00 0.46 N ATOM 322 CA ARG A 520 8.776 -2.896 6.054 1.00 0.40 C ATOM 323 C ARG A 520 8.270 -1.630 5.391 1.00 0.34 C ATOM 324 O ARG A 520 7.568 -0.827 6.006 1.00 0.36 O ATOM 325 CB ARG A 520 7.629 -3.899 6.118 1.00 0.44 C ATOM 326 CG ARG A 520 7.987 -5.210 6.787 1.00 0.56 C ATOM 327 CD ARG A 520 6.742 -5.894 7.314 1.00 0.64 C ATOM 328 NE ARG A 520 6.026 -5.030 8.246 1.00 0.93 N ATOM 329 CZ ARG A 520 6.054 -5.169 9.568 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.708 -6.183 10.126 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.427 -4.288 10.333 1.00 2.22 N ATOM 0 H ARG A 520 8.652 -2.090 7.988 1.00 0.46 H new ATOM 0 HA ARG A 520 9.600 -3.306 5.470 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.795 -3.446 6.654 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.283 -4.104 5.105 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.494 -5.862 6.075 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.684 -5.029 7.605 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.089 -6.159 6.483 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.017 -6.824 7.812 1.00 0.64 H new ATOM 0 HE ARG A 520 5.467 -4.270 7.858 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.193 -6.862 9.539 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.725 -6.282 11.141 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.926 -3.508 9.907 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.445 -4.390 11.348 1.00 2.22 H new ATOM 345 N VAL A 521 8.661 -1.449 4.144 1.00 0.29 N ATOM 346 CA VAL A 521 8.028 -0.476 3.277 1.00 0.24 C ATOM 347 C VAL A 521 7.410 -1.176 2.079 1.00 0.21 C ATOM 348 O VAL A 521 8.114 -1.836 1.308 1.00 0.23 O ATOM 349 CB VAL A 521 9.005 0.611 2.806 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.315 1.591 1.883 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.593 1.332 3.993 1.00 0.32 C ATOM 0 H VAL A 521 9.422 -1.969 3.706 1.00 0.29 H new ATOM 0 HA VAL A 521 7.250 0.020 3.857 1.00 0.24 H new ATOM 0 HB VAL A 521 9.811 0.131 2.251 1.00 0.26 H new ATOM 0 HG11 VAL A 521 9.027 2.352 1.562 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.932 1.061 1.011 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.488 2.067 2.410 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.284 2.100 3.646 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.793 1.797 4.569 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.127 0.621 4.623 1.00 0.32 H new ATOM 361 N VAL A 522 6.113 -1.038 1.921 1.00 0.20 N ATOM 362 CA VAL A 522 5.428 -1.596 0.773 1.00 0.18 C ATOM 363 C VAL A 522 4.745 -0.457 0.033 1.00 0.18 C ATOM 364 O VAL A 522 3.932 0.257 0.616 1.00 0.19 O ATOM 365 CB VAL A 522 4.389 -2.657 1.203 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.785 -3.361 0.001 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.014 -3.666 2.155 1.00 0.22 C ATOM 0 H VAL A 522 5.507 -0.542 2.575 1.00 0.20 H new ATOM 0 HA VAL A 522 6.149 -2.094 0.124 1.00 0.18 H new ATOM 0 HB VAL A 522 3.584 -2.139 1.725 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.059 -4.100 0.339 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.288 -2.630 -0.637 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.574 -3.859 -0.563 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.266 -4.404 2.446 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.845 -4.168 1.659 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.379 -3.150 3.043 1.00 0.22 H new ATOM 377 N HIS A 523 5.084 -0.253 -1.229 1.00 0.18 N ATOM 378 CA HIS A 523 4.541 0.867 -1.980 1.00 0.18 C ATOM 379 C HIS A 523 3.501 0.383 -2.978 1.00 0.17 C ATOM 380 O HIS A 523 3.718 -0.588 -3.702 1.00 0.18 O ATOM 381 CB HIS A 523 5.672 1.595 -2.719 1.00 0.20 C ATOM 382 CG HIS A 523 5.235 2.822 -3.466 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.183 4.120 -3.083 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 4.799 2.797 -4.771 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 4.724 4.849 -4.149 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 4.500 4.023 -5.155 1.00 0.37 N flip ATOM 0 H HIS A 523 5.729 -0.844 -1.753 1.00 0.18 H new ATOM 0 HA HIS A 523 4.063 1.556 -1.284 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.438 1.877 -1.997 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.135 0.902 -3.422 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.439 4.488 -2.167 1.00 0.39 H new ATOM 0 HD2 HIS A 523 4.715 1.912 -5.385 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.571 5.918 -4.164 1.00 0.44 H new ATOM 395 N ILE A 524 2.381 1.071 -3.016 1.00 0.16 N ATOM 396 CA ILE A 524 1.331 0.773 -3.963 1.00 0.16 C ATOM 397 C ILE A 524 1.244 1.915 -4.961 1.00 0.17 C ATOM 398 O ILE A 524 1.345 3.081 -4.589 1.00 0.19 O ATOM 399 CB ILE A 524 -0.022 0.569 -3.252 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.133 -0.497 -2.160 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.107 0.176 -4.249 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.153 -0.856 -1.453 1.00 0.18 C ATOM 0 H ILE A 524 2.173 1.851 -2.392 1.00 0.16 H new ATOM 0 HA ILE A 524 1.565 -0.157 -4.481 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.328 1.508 -2.791 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.552 -1.399 -2.606 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.853 -0.142 -1.422 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.052 0.038 -3.723 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.219 0.963 -4.995 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.827 -0.755 -4.743 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.953 -1.616 -0.697 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.565 0.032 -0.974 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.870 -1.244 -2.177 1.00 0.18 H new ATOM 414 N CYS A 525 1.094 1.592 -6.226 1.00 0.17 N ATOM 415 CA CYS A 525 1.135 2.611 -7.254 1.00 0.18 C ATOM 416 C CYS A 525 0.015 2.435 -8.262 1.00 0.15 C ATOM 417 O CYS A 525 -0.615 1.376 -8.323 1.00 0.16 O ATOM 418 CB CYS A 525 2.497 2.601 -7.954 1.00 0.29 C ATOM 419 SG CYS A 525 3.082 0.959 -8.435 1.00 1.17 S ATOM 0 H CYS A 525 0.944 0.642 -6.567 1.00 0.17 H new ATOM 0 HA CYS A 525 0.991 3.578 -6.772 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.438 3.227 -8.844 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.234 3.056 -7.293 1.00 0.29 H new ATOM 0 HG CYS A 525 2.593 0.069 -7.623 1.00 1.17 H new ATOM 425 N ASN A 526 -0.225 3.510 -9.013 1.00 0.15 N ATOM 426 CA ASN A 526 -1.203 3.551 -10.108 1.00 0.16 C ATOM 427 C ASN A 526 -2.584 3.885 -9.577 1.00 0.15 C ATOM 428 O ASN A 526 -3.598 3.525 -10.173 1.00 0.18 O ATOM 429 CB ASN A 526 -1.239 2.246 -10.924 1.00 0.19 C ATOM 430 CG ASN A 526 0.057 1.975 -11.665 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.792 2.898 -12.022 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.339 0.707 -11.917 1.00 0.26 N ATOM 0 H ASN A 526 0.263 4.395 -8.877 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.881 4.339 -10.788 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.450 1.411 -10.255 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.058 2.295 -11.641 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.191 0.465 -12.424 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.295 -0.028 -11.605 1.00 0.26 H new ATOM 439 N LEU A 527 -2.610 4.612 -8.470 1.00 0.15 N ATOM 440 CA LEU A 527 -3.858 5.051 -7.873 1.00 0.17 C ATOM 441 C LEU A 527 -4.315 6.329 -8.560 1.00 0.22 C ATOM 442 O LEU A 527 -3.565 7.299 -8.620 1.00 0.25 O ATOM 443 CB LEU A 527 -3.673 5.294 -6.373 1.00 0.15 C ATOM 444 CG LEU A 527 -3.466 4.041 -5.522 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.041 4.418 -4.114 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.745 3.224 -5.472 1.00 0.21 C ATOM 0 H LEU A 527 -1.775 4.911 -7.966 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.614 4.277 -8.003 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.816 5.952 -6.233 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.548 5.825 -5.999 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.678 3.442 -5.978 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.898 3.514 -3.523 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.106 4.977 -4.154 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.813 5.034 -3.654 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.585 2.334 -4.863 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.543 3.824 -5.035 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.026 2.926 -6.482 1.00 0.21 H new ATOM 458 N PRO A 528 -5.538 6.353 -9.104 1.00 0.26 N ATOM 459 CA PRO A 528 -6.040 7.524 -9.817 1.00 0.33 C ATOM 460 C PRO A 528 -6.282 8.703 -8.881 1.00 0.34 C ATOM 461 O PRO A 528 -6.835 8.547 -7.791 1.00 0.32 O ATOM 462 CB PRO A 528 -7.364 7.049 -10.436 1.00 0.38 C ATOM 463 CG PRO A 528 -7.370 5.564 -10.287 1.00 0.37 C ATOM 464 CD PRO A 528 -6.513 5.256 -9.094 1.00 0.29 C ATOM 0 HA PRO A 528 -5.324 7.882 -10.557 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.217 7.497 -9.927 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.431 7.337 -11.485 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.384 5.192 -10.143 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.978 5.082 -11.182 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.094 5.239 -8.172 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -6.029 4.283 -9.184 1.00 0.29 H new ATOM 472 N GLU A 529 -5.860 9.877 -9.324 1.00 0.41 N ATOM 473 CA GLU A 529 -6.059 11.112 -8.580 1.00 0.46 C ATOM 474 C GLU A 529 -7.547 11.413 -8.470 1.00 0.47 C ATOM 475 O GLU A 529 -8.273 11.327 -9.460 1.00 0.53 O ATOM 476 CB GLU A 529 -5.333 12.249 -9.295 1.00 0.57 C ATOM 477 CG GLU A 529 -5.569 13.624 -8.695 1.00 0.66 C ATOM 478 CD GLU A 529 -4.882 14.720 -9.483 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.907 14.665 -10.730 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.328 15.650 -8.863 1.00 1.41 O ATOM 0 H GLU A 529 -5.370 10.001 -10.210 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.654 11.008 -7.574 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.263 12.042 -9.286 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.647 12.264 -10.339 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.640 13.823 -8.658 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.207 13.637 -7.667 1.00 0.66 H new ATOM 487 N GLY A 530 -8.006 11.762 -7.277 1.00 0.46 N ATOM 488 CA GLY A 530 -9.427 11.932 -7.074 1.00 0.48 C ATOM 489 C GLY A 530 -10.091 10.621 -6.719 1.00 0.43 C ATOM 490 O GLY A 530 -11.313 10.537 -6.610 1.00 0.46 O ATOM 0 H GLY A 530 -7.426 11.929 -6.455 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.599 12.657 -6.278 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.880 12.339 -7.978 1.00 0.48 H new ATOM 494 N SER A 531 -9.280 9.587 -6.547 1.00 0.37 N ATOM 495 CA SER A 531 -9.782 8.246 -6.304 1.00 0.35 C ATOM 496 C SER A 531 -8.814 7.475 -5.410 1.00 0.28 C ATOM 497 O SER A 531 -8.926 6.260 -5.243 1.00 0.30 O ATOM 498 CB SER A 531 -9.972 7.520 -7.632 1.00 0.40 C ATOM 499 OG SER A 531 -10.870 8.231 -8.470 1.00 1.08 O ATOM 0 H SER A 531 -8.263 9.655 -6.572 1.00 0.37 H new ATOM 0 HA SER A 531 -10.744 8.311 -5.795 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.010 7.410 -8.133 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.354 6.515 -7.451 1.00 0.40 H new ATOM 0 HG SER A 531 -10.414 8.482 -9.300 1.00 1.08 H new ATOM 505 N CYS A 532 -7.861 8.197 -4.835 1.00 0.24 N ATOM 506 CA CYS A 532 -6.902 7.607 -3.917 1.00 0.20 C ATOM 507 C CYS A 532 -7.453 7.685 -2.505 1.00 0.18 C ATOM 508 O CYS A 532 -7.206 8.658 -1.792 1.00 0.21 O ATOM 509 CB CYS A 532 -5.564 8.353 -3.981 1.00 0.21 C ATOM 510 SG CYS A 532 -4.820 8.419 -5.623 1.00 0.25 S ATOM 0 H CYS A 532 -7.733 9.197 -4.991 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.736 6.567 -4.200 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.713 9.372 -3.623 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.863 7.874 -3.298 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.723 8.153 -6.520 1.00 0.25 H new ATOM 516 N THR A 533 -8.212 6.683 -2.097 1.00 0.17 N ATOM 517 CA THR A 533 -8.793 6.711 -0.772 1.00 0.18 C ATOM 518 C THR A 533 -7.994 5.806 0.142 1.00 0.17 C ATOM 519 O THR A 533 -7.394 4.830 -0.310 1.00 0.18 O ATOM 520 CB THR A 533 -10.261 6.237 -0.783 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.315 4.827 -1.034 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.065 6.975 -1.844 1.00 0.28 C ATOM 0 H THR A 533 -8.436 5.857 -2.653 1.00 0.17 H new ATOM 0 HA THR A 533 -8.768 7.741 -0.416 1.00 0.18 H new ATOM 0 HB THR A 533 -10.696 6.453 0.193 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.879 4.655 -1.817 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.096 6.622 -1.830 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.045 8.045 -1.637 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.630 6.787 -2.826 1.00 0.28 H new ATOM 530 N GLU A 534 -7.991 6.123 1.425 1.00 0.19 N ATOM 531 CA GLU A 534 -7.322 5.294 2.407 1.00 0.20 C ATOM 532 C GLU A 534 -8.031 3.960 2.490 1.00 0.19 C ATOM 533 O GLU A 534 -7.412 2.917 2.684 1.00 0.20 O ATOM 534 CB GLU A 534 -7.279 5.990 3.765 1.00 0.23 C ATOM 535 CG GLU A 534 -6.668 7.389 3.703 1.00 0.27 C ATOM 536 CD GLU A 534 -6.572 8.052 5.063 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.183 7.543 6.029 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.892 9.095 5.174 1.00 1.64 O ATOM 0 H GLU A 534 -8.446 6.951 1.810 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.289 5.126 2.102 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.291 6.060 4.163 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.704 5.380 4.461 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.672 7.326 3.264 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.269 8.013 3.042 1.00 0.27 H new ATOM 545 N ASN A 535 -9.342 4.018 2.312 1.00 0.20 N ATOM 546 CA ASN A 535 -10.173 2.839 2.422 1.00 0.22 C ATOM 547 C ASN A 535 -9.814 1.803 1.368 1.00 0.21 C ATOM 548 O ASN A 535 -9.562 0.668 1.716 1.00 0.21 O ATOM 549 CB ASN A 535 -11.657 3.195 2.309 1.00 0.27 C ATOM 550 CG ASN A 535 -12.238 3.738 3.602 1.00 0.96 C ATOM 551 OD1 ASN A 535 -11.544 4.365 4.402 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.522 3.501 3.812 1.00 1.38 N ATOM 0 H ASN A 535 -9.850 4.874 2.090 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.987 2.411 3.407 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.788 3.935 1.519 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.216 2.308 2.011 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.971 3.842 4.662 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -14.063 2.977 3.124 1.00 1.38 H new ATOM 559 N ASP A 536 -9.701 2.201 0.100 1.00 0.21 N ATOM 560 CA ASP A 536 -9.511 1.226 -0.987 1.00 0.22 C ATOM 561 C ASP A 536 -8.128 0.588 -0.922 1.00 0.17 C ATOM 562 O ASP A 536 -7.976 -0.626 -1.057 1.00 0.16 O ATOM 563 CB ASP A 536 -9.708 1.877 -2.363 1.00 0.27 C ATOM 564 CG ASP A 536 -11.154 2.234 -2.647 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.019 1.333 -2.576 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.433 3.413 -2.954 1.00 0.61 O ATOM 0 H ASP A 536 -9.736 3.175 -0.202 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.265 0.451 -0.853 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.098 2.778 -2.423 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.349 1.197 -3.135 1.00 0.27 H new ATOM 571 N VAL A 537 -7.133 1.432 -0.707 1.00 0.15 N ATOM 572 CA VAL A 537 -5.741 0.994 -0.642 1.00 0.13 C ATOM 573 C VAL A 537 -5.561 -0.015 0.497 1.00 0.12 C ATOM 574 O VAL A 537 -4.999 -1.109 0.325 1.00 0.13 O ATOM 575 CB VAL A 537 -4.802 2.208 -0.447 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.339 1.806 -0.513 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.096 3.260 -1.500 1.00 0.13 C ATOM 0 H VAL A 537 -7.261 2.435 -0.573 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.480 0.508 -1.582 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.989 2.617 0.546 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.713 2.687 -0.371 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.126 1.079 0.271 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.127 1.363 -1.486 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.432 4.113 -1.358 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.936 2.837 -2.492 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.132 3.587 -1.408 1.00 0.13 H new ATOM 587 N ILE A 538 -6.085 0.343 1.652 1.00 0.12 N ATOM 588 CA ILE A 538 -6.069 -0.535 2.804 1.00 0.12 C ATOM 589 C ILE A 538 -6.979 -1.749 2.592 1.00 0.12 C ATOM 590 O ILE A 538 -6.694 -2.835 3.090 1.00 0.12 O ATOM 591 CB ILE A 538 -6.448 0.214 4.091 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.391 1.265 4.422 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.598 -0.761 5.240 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.706 2.048 5.673 1.00 0.23 C ATOM 0 H ILE A 538 -6.531 1.245 1.818 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.047 -0.896 2.919 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.402 0.717 3.934 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.425 0.775 4.541 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.298 1.954 3.583 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.867 -0.217 6.146 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.380 -1.483 5.005 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.656 -1.285 5.398 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.917 2.778 5.853 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.658 2.565 5.549 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.771 1.367 6.522 1.00 0.23 H new ATOM 606 N ASN A 539 -8.083 -1.561 1.868 1.00 0.12 N ATOM 607 CA ASN A 539 -8.986 -2.670 1.550 1.00 0.14 C ATOM 608 C ASN A 539 -8.249 -3.758 0.797 1.00 0.15 C ATOM 609 O ASN A 539 -8.668 -4.911 0.809 1.00 0.17 O ATOM 610 CB ASN A 539 -10.201 -2.243 0.706 1.00 0.17 C ATOM 611 CG ASN A 539 -11.262 -1.458 1.464 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.321 -1.619 2.773 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -12.021 -0.692 0.865 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.373 -0.658 1.492 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.350 -3.036 2.510 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.850 -1.638 -0.130 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.663 -3.135 0.282 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.949 -0.591 -0.147 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.721 -0.160 1.382 1.00 0.21 H new ATOM 620 N LEU A 540 -7.193 -3.389 0.089 1.00 0.15 N ATOM 621 CA LEU A 540 -6.343 -4.385 -0.538 1.00 0.17 C ATOM 622 C LEU A 540 -5.463 -5.048 0.515 1.00 0.16 C ATOM 623 O LEU A 540 -5.294 -6.266 0.524 1.00 0.19 O ATOM 624 CB LEU A 540 -5.451 -3.728 -1.588 1.00 0.19 C ATOM 625 CG LEU A 540 -6.181 -3.045 -2.742 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.173 -2.472 -3.722 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.125 -4.015 -3.438 1.00 0.24 C ATOM 0 H LEU A 540 -6.908 -2.422 -0.064 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.976 -5.133 -1.015 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.821 -2.989 -1.092 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.787 -4.487 -2.001 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.783 -2.229 -2.342 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.700 -1.986 -4.543 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.544 -1.742 -3.212 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.551 -3.276 -4.115 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.633 -3.504 -4.256 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.556 -4.856 -3.833 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.863 -4.380 -2.724 1.00 0.24 H new ATOM 639 N GLY A 541 -4.926 -4.227 1.417 1.00 0.14 N ATOM 640 CA GLY A 541 -4.045 -4.739 2.458 1.00 0.16 C ATOM 641 C GLY A 541 -4.696 -5.680 3.463 1.00 0.15 C ATOM 642 O GLY A 541 -4.231 -6.799 3.660 1.00 0.19 O ATOM 0 H GLY A 541 -5.084 -3.220 1.446 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.215 -5.261 1.983 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.622 -3.893 3.000 1.00 0.16 H new ATOM 646 N LEU A 542 -5.795 -5.249 4.056 1.00 0.13 N ATOM 647 CA LEU A 542 -6.377 -5.941 5.214 1.00 0.14 C ATOM 648 C LEU A 542 -6.706 -7.425 4.984 1.00 0.16 C ATOM 649 O LEU A 542 -6.381 -8.254 5.835 1.00 0.20 O ATOM 650 CB LEU A 542 -7.612 -5.199 5.706 1.00 0.13 C ATOM 651 CG LEU A 542 -7.323 -3.939 6.513 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.595 -3.143 6.727 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.695 -4.308 7.846 1.00 0.16 C ATOM 0 H LEU A 542 -6.311 -4.420 3.760 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.597 -5.932 5.976 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.223 -4.929 4.845 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.206 -5.877 6.319 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.622 -3.318 5.955 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.370 -2.247 7.305 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.012 -2.857 5.761 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.319 -3.752 7.269 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.492 -3.401 8.416 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.380 -4.944 8.407 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.762 -4.844 7.673 1.00 0.16 H new ATOM 665 N PRO A 543 -7.369 -7.802 3.872 1.00 0.17 N ATOM 666 CA PRO A 543 -7.763 -9.198 3.633 1.00 0.19 C ATOM 667 C PRO A 543 -6.581 -10.169 3.586 1.00 0.20 C ATOM 668 O PRO A 543 -6.744 -11.357 3.877 1.00 0.23 O ATOM 669 CB PRO A 543 -8.478 -9.138 2.277 1.00 0.22 C ATOM 670 CG PRO A 543 -8.944 -7.732 2.184 1.00 0.21 C ATOM 671 CD PRO A 543 -7.828 -6.930 2.780 1.00 0.17 C ATOM 0 HA PRO A 543 -8.383 -9.580 4.444 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.805 -9.391 1.458 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.311 -9.839 2.233 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.133 -7.443 1.150 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.875 -7.585 2.731 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -7.037 -6.732 2.057 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.172 -5.963 3.148 1.00 0.17 H new ATOM 679 N PHE A 544 -5.395 -9.683 3.225 1.00 0.20 N ATOM 680 CA PHE A 544 -4.208 -10.533 3.197 1.00 0.22 C ATOM 681 C PHE A 544 -3.377 -10.369 4.469 1.00 0.22 C ATOM 682 O PHE A 544 -2.500 -11.184 4.757 1.00 0.28 O ATOM 683 CB PHE A 544 -3.334 -10.207 1.985 1.00 0.23 C ATOM 684 CG PHE A 544 -3.987 -10.465 0.660 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.065 -11.750 0.149 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.505 -9.418 -0.082 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.651 -11.985 -1.079 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.094 -9.647 -1.308 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.167 -10.932 -1.808 1.00 0.33 C ATOM 0 H PHE A 544 -5.231 -8.714 2.950 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.554 -11.565 3.130 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -3.043 -9.158 2.034 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.418 -10.795 2.045 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.663 -12.576 0.717 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.447 -8.411 0.303 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.706 -12.991 -1.469 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.498 -8.822 -1.876 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.627 -11.113 -2.768 1.00 0.33 H new ATOM 699 N GLY A 545 -3.652 -9.315 5.222 1.00 0.19 N ATOM 700 CA GLY A 545 -2.903 -9.054 6.435 1.00 0.21 C ATOM 701 C GLY A 545 -3.318 -7.755 7.090 1.00 0.21 C ATOM 702 O GLY A 545 -3.756 -6.829 6.416 1.00 0.44 O ATOM 0 H GLY A 545 -4.382 -8.634 5.015 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -3.050 -9.876 7.135 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.839 -9.019 6.203 1.00 0.21 H new ATOM 706 N LYS A 546 -3.175 -7.679 8.404 1.00 0.27 N ATOM 707 CA LYS A 546 -3.599 -6.502 9.142 1.00 0.25 C ATOM 708 C LYS A 546 -2.749 -5.292 8.769 1.00 0.20 C ATOM 709 O LYS A 546 -1.519 -5.351 8.790 1.00 0.24 O ATOM 710 CB LYS A 546 -3.513 -6.752 10.648 1.00 0.35 C ATOM 711 CG LYS A 546 -4.073 -5.610 11.484 1.00 0.41 C ATOM 712 CD LYS A 546 -3.826 -5.817 12.970 1.00 0.92 C ATOM 713 CE LYS A 546 -2.343 -5.770 13.300 1.00 1.60 C ATOM 714 NZ LYS A 546 -2.092 -5.886 14.758 1.00 2.07 N ATOM 0 H LYS A 546 -2.769 -8.417 8.979 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.636 -6.295 8.876 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -4.054 -7.667 10.888 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.471 -6.916 10.922 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.617 -4.672 11.168 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -5.144 -5.520 11.304 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.351 -5.048 13.538 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -4.238 -6.778 13.278 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -1.830 -6.578 12.779 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -1.920 -4.835 12.933 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -1.068 -5.849 14.938 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -2.559 -5.100 15.254 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -2.472 -6.790 15.105 1.00 2.07 H new ATOM 728 N VAL A 547 -3.418 -4.204 8.427 1.00 0.16 N ATOM 729 CA VAL A 547 -2.753 -2.965 8.081 1.00 0.15 C ATOM 730 C VAL A 547 -2.484 -2.142 9.331 1.00 0.18 C ATOM 731 O VAL A 547 -3.414 -1.715 10.018 1.00 0.20 O ATOM 732 CB VAL A 547 -3.607 -2.157 7.084 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.016 -0.782 6.817 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.751 -2.932 5.785 1.00 0.14 C ATOM 0 H VAL A 547 -4.436 -4.157 8.382 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.800 -3.204 7.609 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.591 -2.006 7.529 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.648 -0.245 6.109 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.960 -0.222 7.751 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.015 -0.891 6.399 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.355 -2.357 5.083 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.765 -3.108 5.355 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.236 -3.888 5.983 1.00 0.14 H new ATOM 744 N THR A 548 -1.214 -1.948 9.636 1.00 0.20 N ATOM 745 CA THR A 548 -0.825 -1.187 10.808 1.00 0.23 C ATOM 746 C THR A 548 -0.559 0.272 10.461 1.00 0.23 C ATOM 747 O THR A 548 -0.849 1.173 11.249 1.00 0.27 O ATOM 748 CB THR A 548 0.427 -1.804 11.455 1.00 0.27 C ATOM 749 OG1 THR A 548 1.436 -2.013 10.456 1.00 0.26 O ATOM 750 CG2 THR A 548 0.094 -3.124 12.130 1.00 0.31 C ATOM 0 H THR A 548 -0.433 -2.308 9.087 1.00 0.20 H new ATOM 0 HA THR A 548 -1.653 -1.224 11.516 1.00 0.23 H new ATOM 0 HB THR A 548 0.798 -1.113 12.212 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.232 -2.404 10.872 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.995 -3.540 12.580 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.655 -2.958 12.905 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.298 -3.822 11.390 1.00 0.31 H new ATOM 758 N ASN A 549 -0.024 0.499 9.271 1.00 0.20 N ATOM 759 CA ASN A 549 0.280 1.848 8.817 1.00 0.21 C ATOM 760 C ASN A 549 0.010 1.973 7.327 1.00 0.18 C ATOM 761 O ASN A 549 -0.001 0.981 6.607 1.00 0.20 O ATOM 762 CB ASN A 549 1.743 2.220 9.111 1.00 0.26 C ATOM 763 CG ASN A 549 2.093 2.190 10.590 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.922 3.315 11.261 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 2.519 1.164 11.122 1.00 0.81 N flip ATOM 0 H ASN A 549 0.209 -0.234 8.601 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.365 2.537 9.363 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.398 1.532 8.577 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.941 3.218 8.719 1.00 0.26 H new ATOM 0 HD21 ASN A 549 2.637 0.315 10.570 1.00 0.81 H new ATOM 0 HD22 ASN A 549 2.753 1.164 12.115 1.00 0.81 H new ATOM 772 N TYR A 550 -0.225 3.191 6.878 1.00 0.17 N ATOM 773 CA TYR A 550 -0.520 3.450 5.482 1.00 0.17 C ATOM 774 C TYR A 550 -0.276 4.920 5.174 1.00 0.17 C ATOM 775 O TYR A 550 -0.384 5.771 6.060 1.00 0.17 O ATOM 776 CB TYR A 550 -1.972 3.079 5.185 1.00 0.17 C ATOM 777 CG TYR A 550 -2.967 3.890 5.982 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.786 4.804 5.351 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.074 3.757 7.364 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.682 5.563 6.067 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.975 4.514 8.086 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.775 5.419 7.428 1.00 0.25 C ATOM 783 OH TYR A 550 -5.677 6.185 8.123 1.00 0.31 O ATOM 0 H TYR A 550 -0.217 4.024 7.466 1.00 0.17 H new ATOM 0 HA TYR A 550 0.132 2.844 4.853 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.166 3.220 4.122 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.121 2.021 5.399 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.722 4.925 4.280 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.441 3.050 7.880 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.314 6.274 5.556 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.051 4.397 9.157 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.126 6.801 7.507 1.00 0.31 H new ATOM 793 N ILE A 551 0.045 5.217 3.926 1.00 0.18 N ATOM 794 CA ILE A 551 0.374 6.569 3.506 1.00 0.16 C ATOM 795 C ILE A 551 -0.169 6.779 2.111 1.00 0.17 C ATOM 796 O ILE A 551 0.138 6.005 1.215 1.00 0.20 O ATOM 797 CB ILE A 551 1.900 6.789 3.457 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.542 6.479 4.814 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.233 8.207 3.021 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.054 6.523 4.804 1.00 0.20 C ATOM 0 H ILE A 551 0.085 4.528 3.175 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.060 7.267 4.222 1.00 0.16 H new ATOM 0 HB ILE A 551 2.312 6.101 2.719 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.173 7.193 5.550 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.220 5.490 5.139 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.315 8.335 2.995 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.822 8.388 2.028 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.801 8.916 3.727 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.431 6.293 5.800 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.435 5.789 4.093 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.387 7.519 4.511 1.00 0.20 H new ATOM 812 N LEU A 552 -0.972 7.798 1.906 1.00 0.16 N ATOM 813 CA LEU A 552 -1.502 8.039 0.583 1.00 0.19 C ATOM 814 C LEU A 552 -0.825 9.236 -0.039 1.00 0.19 C ATOM 815 O LEU A 552 -0.846 10.320 0.530 1.00 0.26 O ATOM 816 CB LEU A 552 -3.003 8.267 0.615 1.00 0.27 C ATOM 817 CG LEU A 552 -3.853 7.054 0.938 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.296 7.391 0.671 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.426 5.844 0.127 1.00 0.42 C ATOM 0 H LEU A 552 -1.268 8.461 2.622 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.304 7.151 -0.017 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.217 9.042 1.351 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.312 8.655 -0.356 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.721 6.796 1.989 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.920 6.527 0.899 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.596 8.231 1.298 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.419 7.660 -0.378 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.057 4.993 0.384 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.528 6.064 -0.936 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.386 5.605 0.350 1.00 0.42 H new ATOM 831 N MET A 553 -0.268 9.067 -1.219 1.00 0.18 N ATOM 832 CA MET A 553 0.398 10.179 -1.873 1.00 0.26 C ATOM 833 C MET A 553 -0.463 10.628 -3.036 1.00 0.26 C ATOM 834 O MET A 553 -0.207 10.292 -4.195 1.00 0.25 O ATOM 835 CB MET A 553 1.775 9.752 -2.396 1.00 0.35 C ATOM 836 CG MET A 553 2.616 8.989 -1.388 1.00 0.56 C ATOM 837 SD MET A 553 3.934 8.039 -2.174 1.00 1.03 S ATOM 838 CE MET A 553 4.932 9.348 -2.877 1.00 0.80 C ATOM 0 H MET A 553 -0.260 8.190 -1.739 1.00 0.18 H new ATOM 0 HA MET A 553 0.538 10.991 -1.159 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.638 9.131 -3.282 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.323 10.640 -2.711 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.052 9.691 -0.677 1.00 0.56 H new ATOM 0 HG3 MET A 553 1.975 8.315 -0.819 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.883 9.299 -3.965 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.555 10.314 -2.540 1.00 0.80 H new ATOM 0 HE3 MET A 553 5.966 9.230 -2.555 1.00 0.80 H new ATOM 848 N LYS A 554 -1.486 11.395 -2.705 1.00 0.32 N ATOM 849 CA LYS A 554 -2.378 11.981 -3.698 1.00 0.37 C ATOM 850 C LYS A 554 -1.634 12.786 -4.754 1.00 0.38 C ATOM 851 O LYS A 554 -2.074 12.866 -5.899 1.00 0.40 O ATOM 852 CB LYS A 554 -3.407 12.875 -3.007 1.00 0.47 C ATOM 853 CG LYS A 554 -3.876 12.360 -1.650 1.00 0.43 C ATOM 854 CD LYS A 554 -4.561 11.007 -1.742 1.00 0.37 C ATOM 855 CE LYS A 554 -5.169 10.620 -0.403 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.086 11.666 0.121 1.00 1.03 N ATOM 0 H LYS A 554 -1.725 11.631 -1.742 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.874 11.155 -4.208 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.978 13.869 -2.877 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.273 12.984 -3.660 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.020 12.285 -0.979 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.564 13.082 -1.210 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.339 11.039 -2.505 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.841 10.250 -2.053 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.714 9.682 -0.511 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.371 10.444 0.319 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.712 11.251 0.840 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.529 12.434 0.548 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.660 12.047 -0.658 1.00 1.03 H new ATOM 870 N SER A 555 -0.505 13.366 -4.380 1.00 0.40 N ATOM 871 CA SER A 555 0.213 14.265 -5.263 1.00 0.44 C ATOM 872 C SER A 555 0.822 13.519 -6.449 1.00 0.38 C ATOM 873 O SER A 555 0.765 13.991 -7.583 1.00 0.38 O ATOM 874 CB SER A 555 1.293 14.996 -4.468 1.00 0.51 C ATOM 875 OG SER A 555 2.174 14.079 -3.838 1.00 0.50 O ATOM 0 H SER A 555 -0.067 13.229 -3.469 1.00 0.40 H new ATOM 0 HA SER A 555 -0.491 14.991 -5.670 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.858 15.650 -5.133 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.827 15.632 -3.716 1.00 0.51 H new ATOM 0 HG SER A 555 2.857 14.573 -3.337 1.00 0.50 H new ATOM 881 N THR A 556 1.392 12.351 -6.188 1.00 0.34 N ATOM 882 CA THR A 556 2.066 11.588 -7.226 1.00 0.32 C ATOM 883 C THR A 556 1.223 10.411 -7.711 1.00 0.27 C ATOM 884 O THR A 556 1.688 9.596 -8.513 1.00 0.28 O ATOM 885 CB THR A 556 3.420 11.062 -6.717 1.00 0.36 C ATOM 886 OG1 THR A 556 3.228 10.316 -5.508 1.00 0.34 O ATOM 887 CG2 THR A 556 4.388 12.203 -6.458 1.00 0.45 C ATOM 0 H THR A 556 1.401 11.912 -5.267 1.00 0.34 H new ATOM 0 HA THR A 556 2.223 12.266 -8.065 1.00 0.32 H new ATOM 0 HB THR A 556 3.844 10.417 -7.487 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.077 10.934 -4.763 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.336 11.802 -6.099 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.555 12.756 -7.383 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.969 12.872 -5.706 1.00 0.45 H new ATOM 895 N ASN A 557 -0.020 10.343 -7.234 1.00 0.26 N ATOM 896 CA ASN A 557 -0.929 9.237 -7.555 1.00 0.26 C ATOM 897 C ASN A 557 -0.317 7.909 -7.106 1.00 0.21 C ATOM 898 O ASN A 557 -0.429 6.881 -7.780 1.00 0.25 O ATOM 899 CB ASN A 557 -1.246 9.199 -9.060 1.00 0.31 C ATOM 900 CG ASN A 557 -1.986 10.435 -9.552 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.806 11.539 -9.036 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.823 10.260 -10.563 1.00 1.28 N ATOM 0 H ASN A 557 -0.426 11.047 -6.618 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.865 9.397 -7.019 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.315 9.096 -9.618 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.846 8.315 -9.275 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.343 11.054 -10.938 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.948 9.332 -10.967 1.00 1.28 H new ATOM 909 N GLN A 558 0.321 7.951 -5.948 1.00 0.17 N ATOM 910 CA GLN A 558 1.035 6.809 -5.394 1.00 0.17 C ATOM 911 C GLN A 558 0.649 6.635 -3.935 1.00 0.16 C ATOM 912 O GLN A 558 -0.013 7.501 -3.376 1.00 0.20 O ATOM 913 CB GLN A 558 2.539 7.036 -5.507 1.00 0.22 C ATOM 914 CG GLN A 558 3.052 7.087 -6.935 1.00 0.29 C ATOM 915 CD GLN A 558 4.431 7.703 -7.020 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.210 7.630 -6.072 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.739 8.319 -8.148 1.00 0.84 N ATOM 0 H GLN A 558 0.359 8.784 -5.361 1.00 0.17 H new ATOM 0 HA GLN A 558 0.769 5.910 -5.950 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.793 7.971 -5.007 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.057 6.239 -4.974 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.080 6.078 -7.347 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.359 7.663 -7.549 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.062 8.356 -8.910 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.654 8.757 -8.256 1.00 0.84 H new ATOM 926 N ALA A 559 1.001 5.512 -3.322 1.00 0.15 N ATOM 927 CA ALA A 559 0.725 5.324 -1.906 1.00 0.14 C ATOM 928 C ALA A 559 1.630 4.254 -1.287 1.00 0.14 C ATOM 929 O ALA A 559 2.301 3.505 -1.991 1.00 0.16 O ATOM 930 CB ALA A 559 -0.735 4.975 -1.709 1.00 0.15 C ATOM 0 H ALA A 559 1.471 4.729 -3.776 1.00 0.15 H new ATOM 0 HA ALA A 559 0.940 6.261 -1.392 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.936 4.835 -0.647 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.357 5.783 -2.093 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.965 4.054 -2.246 1.00 0.15 H new ATOM 936 N PHE A 560 1.668 4.228 0.035 1.00 0.14 N ATOM 937 CA PHE A 560 2.389 3.194 0.777 1.00 0.15 C ATOM 938 C PHE A 560 1.437 2.427 1.683 1.00 0.14 C ATOM 939 O PHE A 560 0.445 2.976 2.169 1.00 0.16 O ATOM 940 CB PHE A 560 3.513 3.785 1.636 1.00 0.16 C ATOM 941 CG PHE A 560 4.673 4.364 0.875 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.783 3.594 0.590 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.632 5.669 0.414 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.835 4.114 -0.141 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.683 6.197 -0.311 1.00 0.35 C ATOM 946 CZ PHE A 560 6.846 5.452 -0.472 1.00 0.30 C ATOM 0 H PHE A 560 1.204 4.917 0.626 1.00 0.14 H new ATOM 0 HA PHE A 560 2.828 2.524 0.038 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.091 4.565 2.269 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.889 3.005 2.299 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.830 2.574 0.942 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.768 6.282 0.624 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.647 3.473 -0.452 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.602 7.181 -0.749 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.745 5.915 -0.851 1.00 0.30 H new ATOM 956 N LEU A 561 1.757 1.165 1.916 1.00 0.14 N ATOM 957 CA LEU A 561 0.942 0.300 2.751 1.00 0.14 C ATOM 958 C LEU A 561 1.833 -0.533 3.668 1.00 0.16 C ATOM 959 O LEU A 561 2.668 -1.303 3.204 1.00 0.18 O ATOM 960 CB LEU A 561 0.094 -0.612 1.855 1.00 0.15 C ATOM 961 CG LEU A 561 -0.840 -1.586 2.574 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.923 -0.830 3.331 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.461 -2.555 1.573 1.00 0.20 C ATOM 0 H LEU A 561 2.587 0.713 1.533 1.00 0.14 H new ATOM 0 HA LEU A 561 0.283 0.906 3.372 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.507 0.016 1.197 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.766 -1.188 1.219 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.257 -2.158 3.296 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.577 -1.541 3.836 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.461 -0.174 4.069 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.507 -0.233 2.631 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.124 -3.244 2.097 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.031 -1.996 0.831 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.672 -3.119 1.075 1.00 0.20 H new ATOM 975 N GLU A 562 1.662 -0.355 4.967 1.00 0.17 N ATOM 976 CA GLU A 562 2.417 -1.124 5.946 1.00 0.20 C ATOM 977 C GLU A 562 1.548 -2.222 6.537 1.00 0.18 C ATOM 978 O GLU A 562 0.380 -2.005 6.878 1.00 0.18 O ATOM 979 CB GLU A 562 2.964 -0.222 7.048 1.00 0.27 C ATOM 980 CG GLU A 562 4.443 -0.438 7.339 1.00 0.57 C ATOM 981 CD GLU A 562 4.749 -1.803 7.926 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.755 -2.789 7.158 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.964 -1.903 9.151 1.00 1.21 O ATOM 0 H GLU A 562 1.007 0.315 5.370 1.00 0.17 H new ATOM 0 HA GLU A 562 3.265 -1.584 5.438 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.807 0.819 6.765 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.394 -0.393 7.961 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.009 -0.312 6.416 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.786 0.332 8.031 1.00 0.57 H new ATOM 990 N MET A 563 2.133 -3.391 6.664 1.00 0.25 N ATOM 991 CA MET A 563 1.399 -4.587 7.015 1.00 0.23 C ATOM 992 C MET A 563 1.958 -5.179 8.299 1.00 0.27 C ATOM 993 O MET A 563 3.038 -4.786 8.725 1.00 0.39 O ATOM 994 CB MET A 563 1.488 -5.581 5.859 1.00 0.25 C ATOM 995 CG MET A 563 1.107 -4.955 4.524 1.00 0.25 C ATOM 996 SD MET A 563 1.649 -5.923 3.109 1.00 0.31 S ATOM 997 CE MET A 563 1.145 -4.862 1.753 1.00 0.25 C ATOM 0 H MET A 563 3.133 -3.541 6.527 1.00 0.25 H new ATOM 0 HA MET A 563 0.350 -4.347 7.189 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.504 -5.972 5.797 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.832 -6.428 6.060 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.024 -4.836 4.482 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.540 -3.957 4.461 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.350 -5.360 0.806 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.078 -4.655 1.830 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.701 -3.925 1.798 1.00 0.25 H new ATOM 1007 N ALA A 564 1.230 -6.084 8.933 1.00 0.28 N ATOM 1008 CA ALA A 564 1.656 -6.626 10.220 1.00 0.33 C ATOM 1009 C ALA A 564 3.016 -7.317 10.124 1.00 0.27 C ATOM 1010 O ALA A 564 3.884 -7.117 10.979 1.00 0.40 O ATOM 1011 CB ALA A 564 0.608 -7.584 10.763 1.00 0.50 C ATOM 0 H ALA A 564 0.348 -6.458 8.584 1.00 0.28 H new ATOM 0 HA ALA A 564 1.764 -5.790 10.911 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.940 -7.980 11.723 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.335 -7.054 10.895 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.467 -8.406 10.061 1.00 0.50 H new ATOM 1017 N TYR A 565 3.203 -8.118 9.079 1.00 0.27 N ATOM 1018 CA TYR A 565 4.448 -8.852 8.895 1.00 0.37 C ATOM 1019 C TYR A 565 4.848 -8.923 7.425 1.00 0.33 C ATOM 1020 O TYR A 565 4.028 -8.702 6.533 1.00 0.29 O ATOM 1021 CB TYR A 565 4.334 -10.267 9.462 1.00 0.55 C ATOM 1022 CG TYR A 565 4.197 -10.315 10.964 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.993 -10.664 11.561 1.00 0.75 C ATOM 1024 CD2 TYR A 565 5.273 -10.004 11.785 1.00 0.86 C ATOM 1025 CE1 TYR A 565 2.864 -10.701 12.934 1.00 0.90 C ATOM 1026 CE2 TYR A 565 5.153 -10.040 13.159 1.00 1.00 C ATOM 1027 CZ TYR A 565 3.948 -10.390 13.729 1.00 0.98 C ATOM 1028 OH TYR A 565 3.824 -10.426 15.100 1.00 1.15 O ATOM 0 H TYR A 565 2.509 -8.274 8.348 1.00 0.27 H new ATOM 0 HA TYR A 565 5.222 -8.308 9.437 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.472 -10.760 9.012 1.00 0.55 H new ATOM 0 HB3 TYR A 565 5.215 -10.837 9.169 1.00 0.55 H new ATOM 0 HD1 TYR A 565 2.144 -10.910 10.941 1.00 0.75 H new ATOM 0 HD2 TYR A 565 6.219 -9.730 11.341 1.00 0.86 H new ATOM 0 HE1 TYR A 565 1.920 -10.972 13.384 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.999 -9.795 13.784 1.00 1.00 H new ATOM 0 HH TYR A 565 4.679 -10.182 15.512 1.00 1.15 H new ATOM 1038 N THR A 566 6.118 -9.245 7.193 1.00 0.39 N ATOM 1039 CA THR A 566 6.666 -9.359 5.843 1.00 0.40 C ATOM 1040 C THR A 566 5.934 -10.429 5.032 1.00 0.36 C ATOM 1041 O THR A 566 5.861 -10.344 3.805 1.00 0.35 O ATOM 1042 CB THR A 566 8.183 -9.671 5.863 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.702 -9.686 4.525 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.468 -11.011 6.530 1.00 0.57 C ATOM 0 H THR A 566 6.795 -9.434 7.932 1.00 0.39 H new ATOM 0 HA THR A 566 6.518 -8.391 5.365 1.00 0.40 H new ATOM 0 HB THR A 566 8.673 -8.887 6.441 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.662 -9.883 4.549 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.542 -11.198 6.527 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.107 -10.990 7.558 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.960 -11.805 5.983 1.00 0.57 H new ATOM 1052 N GLU A 567 5.387 -11.424 5.730 1.00 0.38 N ATOM 1053 CA GLU A 567 4.646 -12.508 5.094 1.00 0.40 C ATOM 1054 C GLU A 567 3.434 -11.973 4.335 1.00 0.31 C ATOM 1055 O GLU A 567 3.045 -12.514 3.301 1.00 0.32 O ATOM 1056 CB GLU A 567 4.208 -13.530 6.142 1.00 0.49 C ATOM 1057 CG GLU A 567 3.417 -12.922 7.287 1.00 0.55 C ATOM 1058 CD GLU A 567 3.034 -13.941 8.332 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.754 -14.057 9.345 1.00 0.89 O ATOM 1060 OE2 GLU A 567 2.012 -14.632 8.146 1.00 0.84 O ATOM 0 H GLU A 567 5.445 -11.500 6.746 1.00 0.38 H new ATOM 0 HA GLU A 567 5.304 -12.996 4.376 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.602 -14.297 5.659 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.091 -14.027 6.544 1.00 0.49 H new ATOM 0 HG2 GLU A 567 4.007 -12.133 7.753 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.515 -12.454 6.893 1.00 0.55 H new ATOM 1067 N ALA A 568 2.852 -10.898 4.853 1.00 0.26 N ATOM 1068 CA ALA A 568 1.695 -10.288 4.224 1.00 0.24 C ATOM 1069 C ALA A 568 2.121 -9.546 2.967 1.00 0.21 C ATOM 1070 O ALA A 568 1.482 -9.658 1.925 1.00 0.22 O ATOM 1071 CB ALA A 568 0.990 -9.348 5.190 1.00 0.25 C ATOM 0 H ALA A 568 3.164 -10.434 5.706 1.00 0.26 H new ATOM 0 HA ALA A 568 0.992 -11.073 3.947 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.126 -8.902 4.698 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.660 -9.907 6.066 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.678 -8.561 5.499 1.00 0.25 H new ATOM 1077 N ALA A 569 3.236 -8.830 3.064 1.00 0.19 N ATOM 1078 CA ALA A 569 3.721 -8.016 1.962 1.00 0.21 C ATOM 1079 C ALA A 569 4.074 -8.874 0.760 1.00 0.22 C ATOM 1080 O ALA A 569 3.688 -8.568 -0.364 1.00 0.24 O ATOM 1081 CB ALA A 569 4.932 -7.211 2.405 1.00 0.23 C ATOM 0 H ALA A 569 3.821 -8.799 3.899 1.00 0.19 H new ATOM 0 HA ALA A 569 2.924 -7.334 1.666 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.289 -6.604 1.573 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.653 -6.562 3.235 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.723 -7.890 2.725 1.00 0.23 H new ATOM 1087 N GLN A 570 4.774 -9.971 1.008 1.00 0.24 N ATOM 1088 CA GLN A 570 5.196 -10.854 -0.069 1.00 0.28 C ATOM 1089 C GLN A 570 3.988 -11.531 -0.706 1.00 0.27 C ATOM 1090 O GLN A 570 3.943 -11.720 -1.919 1.00 0.29 O ATOM 1091 CB GLN A 570 6.215 -11.884 0.435 1.00 0.34 C ATOM 1092 CG GLN A 570 5.745 -12.703 1.625 1.00 0.38 C ATOM 1093 CD GLN A 570 6.853 -13.547 2.223 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.574 -13.104 3.121 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.994 -14.766 1.738 1.00 1.04 N ATOM 0 H GLN A 570 5.061 -10.270 1.940 1.00 0.24 H new ATOM 0 HA GLN A 570 5.688 -10.255 -0.835 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.462 -12.562 -0.382 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.134 -11.365 0.707 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.350 -12.034 2.389 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.926 -13.352 1.315 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.377 -15.094 0.995 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.720 -15.380 2.106 1.00 1.04 H new ATOM 1104 N ALA A 571 2.998 -11.860 0.115 1.00 0.26 N ATOM 1105 CA ALA A 571 1.777 -12.477 -0.374 1.00 0.27 C ATOM 1106 C ALA A 571 1.012 -11.521 -1.282 1.00 0.25 C ATOM 1107 O ALA A 571 0.554 -11.906 -2.360 1.00 0.27 O ATOM 1108 CB ALA A 571 0.905 -12.911 0.792 1.00 0.31 C ATOM 0 H ALA A 571 3.020 -11.708 1.123 1.00 0.26 H new ATOM 0 HA ALA A 571 2.047 -13.357 -0.958 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.007 -13.372 0.413 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.448 -13.631 1.404 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.648 -12.042 1.397 1.00 0.31 H new ATOM 1114 N MET A 572 0.885 -10.269 -0.849 1.00 0.25 N ATOM 1115 CA MET A 572 0.137 -9.276 -1.612 1.00 0.28 C ATOM 1116 C MET A 572 0.868 -8.912 -2.895 1.00 0.24 C ATOM 1117 O MET A 572 0.262 -8.866 -3.965 1.00 0.24 O ATOM 1118 CB MET A 572 -0.122 -8.010 -0.793 1.00 0.37 C ATOM 1119 CG MET A 572 -0.747 -8.277 0.561 1.00 0.47 C ATOM 1120 SD MET A 572 -1.412 -6.794 1.331 1.00 0.36 S ATOM 1121 CE MET A 572 -1.387 -7.287 3.053 1.00 0.33 C ATOM 0 H MET A 572 1.288 -9.920 0.021 1.00 0.25 H new ATOM 0 HA MET A 572 -0.824 -9.726 -1.862 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.820 -7.481 -0.650 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.776 -7.348 -1.361 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.545 -9.011 0.449 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.001 -8.718 1.220 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.547 -6.413 3.684 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.178 -8.015 3.235 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.421 -7.734 3.290 1.00 0.33 H new ATOM 1131 N VAL A 573 2.173 -8.673 -2.797 1.00 0.24 N ATOM 1132 CA VAL A 573 2.959 -8.283 -3.960 1.00 0.27 C ATOM 1133 C VAL A 573 2.887 -9.360 -5.039 1.00 0.25 C ATOM 1134 O VAL A 573 2.639 -9.058 -6.201 1.00 0.28 O ATOM 1135 CB VAL A 573 4.436 -8.000 -3.589 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.273 -7.737 -4.831 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.529 -6.812 -2.644 1.00 0.32 C ATOM 0 H VAL A 573 2.704 -8.742 -1.929 1.00 0.24 H new ATOM 0 HA VAL A 573 2.530 -7.359 -4.347 1.00 0.27 H new ATOM 0 HB VAL A 573 4.829 -8.886 -3.090 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.305 -7.542 -4.540 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.239 -8.609 -5.484 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.876 -6.871 -5.361 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.574 -6.627 -2.394 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.110 -5.929 -3.127 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.970 -7.027 -1.733 1.00 0.32 H new ATOM 1147 N GLN A 574 3.064 -10.618 -4.649 1.00 0.23 N ATOM 1148 CA GLN A 574 2.967 -11.726 -5.597 1.00 0.25 C ATOM 1149 C GLN A 574 1.569 -11.804 -6.201 1.00 0.23 C ATOM 1150 O GLN A 574 1.412 -12.061 -7.395 1.00 0.26 O ATOM 1151 CB GLN A 574 3.307 -13.056 -4.917 1.00 0.28 C ATOM 1152 CG GLN A 574 4.764 -13.185 -4.508 1.00 0.33 C ATOM 1153 CD GLN A 574 5.711 -13.148 -5.689 1.00 1.30 C ATOM 1154 OE1 GLN A 574 6.187 -12.085 -6.088 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.989 -14.307 -6.260 1.00 2.09 N ATOM 0 H GLN A 574 3.274 -10.896 -3.690 1.00 0.23 H new ATOM 0 HA GLN A 574 3.687 -11.541 -6.395 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.680 -13.171 -4.033 1.00 0.28 H new ATOM 0 HB3 GLN A 574 3.056 -13.873 -5.594 1.00 0.28 H new ATOM 0 HG2 GLN A 574 5.016 -12.378 -3.820 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.903 -14.120 -3.966 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.574 -15.166 -5.899 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.619 -14.343 -7.062 1.00 2.09 H new ATOM 1164 N TYR A 575 0.562 -11.554 -5.373 1.00 0.20 N ATOM 1165 CA TYR A 575 -0.822 -11.664 -5.811 1.00 0.20 C ATOM 1166 C TYR A 575 -1.160 -10.567 -6.812 1.00 0.20 C ATOM 1167 O TYR A 575 -1.641 -10.847 -7.902 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.785 -11.601 -4.620 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.233 -11.821 -5.002 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.111 -10.751 -5.129 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -3.719 -13.101 -5.238 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.434 -10.952 -5.478 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.039 -13.309 -5.590 1.00 0.40 C ATOM 1174 CZ TYR A 575 -5.892 -12.233 -5.707 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.208 -12.440 -6.054 1.00 0.48 O ATOM 0 H TYR A 575 0.678 -11.275 -4.399 1.00 0.20 H new ATOM 0 HA TYR A 575 -0.938 -12.632 -6.298 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.493 -12.353 -3.887 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.689 -10.629 -4.136 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.754 -9.747 -4.952 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.054 -13.947 -5.145 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.105 -10.111 -5.571 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.400 -14.310 -5.773 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.366 -13.399 -6.180 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.883 -9.323 -6.445 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.232 -8.178 -7.280 1.00 0.25 C ATOM 1187 C TYR A 576 -0.316 -8.025 -8.492 1.00 0.30 C ATOM 1188 O TYR A 576 -0.614 -7.256 -9.406 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.268 -6.902 -6.441 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.415 -6.891 -5.454 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.710 -6.620 -5.874 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.209 -7.167 -4.108 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.765 -6.621 -4.981 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.259 -7.167 -3.210 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.535 -6.893 -3.653 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.585 -6.894 -2.766 1.00 0.35 O ATOM 0 H TYR A 576 -0.416 -9.079 -5.572 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.229 -8.363 -7.680 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.327 -6.799 -5.901 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.352 -6.039 -7.101 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.896 -6.405 -6.916 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.211 -7.385 -3.758 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.766 -6.409 -5.325 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -3.081 -7.381 -2.166 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.312 -7.448 -3.120 1.00 0.35 H new ATOM 1206 N GLN A 577 0.801 -8.738 -8.502 1.00 0.31 N ATOM 1207 CA GLN A 577 1.626 -8.793 -9.703 1.00 0.38 C ATOM 1208 C GLN A 577 0.927 -9.628 -10.764 1.00 0.37 C ATOM 1209 O GLN A 577 0.888 -9.254 -11.937 1.00 0.42 O ATOM 1210 CB GLN A 577 3.023 -9.354 -9.430 1.00 0.45 C ATOM 1211 CG GLN A 577 3.943 -8.384 -8.713 1.00 0.52 C ATOM 1212 CD GLN A 577 5.338 -8.940 -8.526 1.00 1.04 C ATOM 1213 OE1 GLN A 577 6.221 -8.736 -9.358 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.544 -9.658 -7.438 1.00 1.57 N ATOM 0 H GLN A 577 1.153 -9.277 -7.711 1.00 0.31 H new ATOM 0 HA GLN A 577 1.757 -7.771 -10.057 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.930 -10.261 -8.833 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.480 -9.642 -10.377 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.999 -7.455 -9.280 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.519 -8.139 -7.739 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.785 -9.804 -6.772 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.462 -10.067 -7.263 1.00 1.57 H new ATOM 1223 N GLU A 578 0.348 -10.743 -10.342 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.353 -11.628 -11.260 1.00 0.38 C ATOM 1225 C GLU A 578 -1.803 -11.191 -11.449 1.00 0.33 C ATOM 1226 O GLU A 578 -2.343 -11.271 -12.553 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.308 -13.063 -10.742 1.00 0.42 C ATOM 1228 CG GLU A 578 1.099 -13.589 -10.530 1.00 0.52 C ATOM 1229 CD GLU A 578 1.116 -15.047 -10.131 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.087 -15.342 -8.920 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.156 -15.912 -11.033 1.00 1.31 O ATOM 0 H GLU A 578 0.350 -11.056 -9.371 1.00 0.35 H new ATOM 0 HA GLU A 578 0.148 -11.576 -12.227 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.853 -13.117 -9.800 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.827 -13.712 -11.448 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.674 -13.459 -11.447 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.592 -12.998 -9.758 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.427 -10.730 -10.373 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.796 -10.238 -10.416 1.00 0.28 C ATOM 1240 C LYS A 579 -3.885 -8.869 -9.745 1.00 0.25 C ATOM 1241 O LYS A 579 -4.204 -8.770 -8.557 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.734 -11.217 -9.705 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.838 -12.571 -10.385 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.711 -13.522 -9.586 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.908 -14.840 -10.315 1.00 1.69 C ATOM 1246 NZ LYS A 579 -6.655 -14.664 -11.590 1.00 2.46 N ATOM 0 H LYS A 579 -1.999 -10.687 -9.448 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.098 -10.147 -11.460 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.386 -11.361 -8.682 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.728 -10.774 -9.645 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.252 -12.447 -11.386 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.843 -12.999 -10.503 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.254 -13.707 -8.614 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.680 -13.059 -9.400 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -4.936 -15.288 -10.523 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.448 -15.534 -9.671 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -6.975 -15.591 -11.936 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.480 -14.052 -11.427 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -6.033 -14.226 -12.299 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.597 -7.798 -10.497 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.615 -6.428 -9.971 1.00 0.25 C ATOM 1262 C PRO A 580 -5.016 -5.978 -9.578 1.00 0.22 C ATOM 1263 O PRO A 580 -6.011 -6.539 -10.036 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.101 -5.587 -11.142 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.391 -6.401 -12.350 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.239 -7.832 -11.926 1.00 0.32 C ATOM 0 HA PRO A 580 -3.016 -6.335 -9.065 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.604 -4.621 -11.186 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.034 -5.387 -11.047 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.398 -6.208 -12.719 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.703 -6.158 -13.160 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.898 -8.492 -12.491 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.221 -8.191 -12.078 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.091 -4.950 -8.747 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.374 -4.431 -8.303 1.00 0.22 C ATOM 1276 C ALA A 581 -6.832 -3.330 -9.237 1.00 0.20 C ATOM 1277 O ALA A 581 -6.047 -2.477 -9.628 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.273 -3.899 -6.884 1.00 0.27 C ATOM 0 H ALA A 581 -4.281 -4.460 -8.368 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.102 -5.242 -8.317 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.243 -3.515 -6.570 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.967 -4.703 -6.215 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.536 -3.097 -6.848 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.091 -3.365 -9.613 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.609 -2.432 -10.592 1.00 0.26 C ATOM 1286 C ILE A 582 -9.367 -1.294 -9.918 1.00 0.28 C ATOM 1287 O ILE A 582 -10.345 -1.525 -9.207 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.543 -3.148 -11.588 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.889 -4.438 -12.090 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.868 -2.233 -12.760 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.788 -5.276 -12.972 1.00 0.51 C ATOM 0 H ILE A 582 -8.777 -4.030 -9.256 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.757 -2.018 -11.132 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.471 -3.401 -11.076 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.986 -4.184 -12.645 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.579 -5.035 -11.232 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.528 -2.752 -13.455 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.362 -1.333 -12.393 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.946 -1.957 -13.273 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.255 -6.173 -13.288 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.680 -5.562 -12.415 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.078 -4.698 -13.850 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.892 -0.075 -10.130 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.583 1.121 -9.664 1.00 0.33 C ATOM 1305 C ILE A 583 -9.783 2.073 -10.835 1.00 0.36 C ATOM 1306 O ILE A 583 -8.811 2.588 -11.388 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.800 1.859 -8.553 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.686 1.003 -7.286 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.468 3.189 -8.234 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.002 0.765 -6.577 1.00 0.51 C ATOM 0 H ILE A 583 -8.022 0.114 -10.627 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.539 0.803 -9.247 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.791 2.046 -8.921 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.249 0.040 -7.550 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.996 1.487 -6.595 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.908 3.699 -7.451 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.488 3.810 -9.129 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.488 3.011 -7.893 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.833 0.151 -5.692 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.433 1.721 -6.279 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.689 0.251 -7.249 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.037 2.280 -11.228 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.372 3.125 -12.377 1.00 0.47 C ATOM 1324 C ASN A 584 -10.714 2.586 -13.638 1.00 0.45 C ATOM 1325 O ASN A 584 -10.321 3.342 -14.526 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.942 4.580 -12.157 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.723 5.277 -11.064 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.892 4.976 -10.819 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.078 6.223 -10.405 1.00 0.91 N ATOM 0 H ASN A 584 -11.848 1.870 -10.764 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.456 3.104 -12.491 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.881 4.604 -11.908 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.063 5.132 -13.089 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.548 6.737 -9.660 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.110 6.440 -10.641 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.587 1.269 -13.698 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.991 0.631 -14.850 1.00 0.44 C ATOM 1338 C GLY A 585 -8.473 0.650 -14.819 1.00 0.39 C ATOM 1339 O GLY A 585 -7.824 0.216 -15.772 1.00 0.42 O ATOM 0 H GLY A 585 -10.889 0.628 -12.964 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.335 -0.402 -14.905 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.337 1.131 -15.755 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.904 1.128 -13.721 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.457 1.193 -13.579 1.00 0.32 C ATOM 1345 C GLU A 586 -5.953 0.043 -12.720 1.00 0.24 C ATOM 1346 O GLU A 586 -6.436 -0.169 -11.607 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.048 2.524 -12.948 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.329 3.729 -13.828 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.373 3.831 -14.996 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.381 4.583 -14.886 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.602 3.164 -16.027 1.00 1.79 O ATOM 0 H GLU A 586 -8.423 1.477 -12.915 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.011 1.114 -14.571 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.576 2.645 -12.002 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.983 2.494 -12.717 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.351 3.670 -14.203 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.262 4.636 -13.228 1.00 0.57 H new ATOM 1358 N LYS A 587 -5.006 -0.708 -13.259 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.391 -1.814 -12.536 1.00 0.19 C ATOM 1360 C LYS A 587 -3.391 -1.302 -11.503 1.00 0.17 C ATOM 1361 O LYS A 587 -2.376 -0.695 -11.854 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.688 -2.756 -13.516 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.569 -3.221 -14.669 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.826 -3.920 -14.178 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.710 -4.357 -15.335 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.055 -5.383 -16.188 1.00 1.67 N ATOM 0 H LYS A 587 -4.643 -0.571 -14.202 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.178 -2.358 -12.014 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.811 -2.252 -13.923 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.330 -3.629 -12.971 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.847 -2.363 -15.282 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.003 -3.899 -15.307 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.550 -4.789 -13.581 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.385 -3.249 -13.525 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -7.646 -4.756 -14.944 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -6.963 -3.489 -15.944 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -6.749 -5.773 -16.857 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.272 -4.947 -16.716 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.685 -6.148 -15.589 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.683 -1.549 -10.235 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.812 -1.137 -9.146 1.00 0.15 C ATOM 1382 C LEU A 588 -1.661 -2.116 -8.978 1.00 0.17 C ATOM 1383 O LEU A 588 -1.856 -3.332 -9.003 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.595 -1.055 -7.835 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.861 -0.199 -7.874 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.497 -0.134 -6.499 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.555 1.196 -8.385 1.00 0.16 C ATOM 0 H LEU A 588 -4.526 -2.038 -9.933 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.413 -0.153 -9.393 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.870 -2.066 -7.533 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.935 -0.661 -7.062 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.567 -0.664 -8.562 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.397 0.479 -6.543 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.759 -1.140 -6.171 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.793 0.306 -5.793 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.471 1.786 -8.404 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.829 1.674 -7.727 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.144 1.132 -9.393 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.470 -1.576 -8.799 1.00 0.17 N ATOM 1400 CA LEU A 589 0.716 -2.397 -8.633 1.00 0.19 C ATOM 1401 C LEU A 589 1.282 -2.239 -7.226 1.00 0.18 C ATOM 1402 O LEU A 589 1.647 -1.134 -6.817 1.00 0.18 O ATOM 1403 CB LEU A 589 1.771 -2.036 -9.681 1.00 0.23 C ATOM 1404 CG LEU A 589 3.034 -2.898 -9.656 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.702 -4.344 -9.979 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.066 -2.360 -10.633 1.00 0.38 C ATOM 0 H LEU A 589 -0.298 -0.571 -8.765 1.00 0.17 H new ATOM 0 HA LEU A 589 0.435 -3.440 -8.775 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.319 -2.111 -10.670 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.058 -0.994 -9.540 1.00 0.23 H new ATOM 0 HG LEU A 589 3.455 -2.858 -8.651 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.614 -4.941 -9.956 1.00 0.37 H new ATOM 0 HD12 LEU A 589 1.998 -4.729 -9.241 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.256 -4.402 -10.972 1.00 0.37 H new ATOM 0 HD21 LEU A 589 4.958 -2.986 -10.601 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.652 -2.369 -11.641 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.330 -1.339 -10.358 1.00 0.38 H new ATOM 1418 N ILE A 590 1.325 -3.334 -6.478 1.00 0.18 N ATOM 1419 CA ILE A 590 1.925 -3.329 -5.150 1.00 0.18 C ATOM 1420 C ILE A 590 3.336 -3.911 -5.218 1.00 0.20 C ATOM 1421 O ILE A 590 3.539 -4.997 -5.762 1.00 0.26 O ATOM 1422 CB ILE A 590 1.067 -4.123 -4.135 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.360 -3.557 -4.098 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.698 -4.084 -2.750 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.231 -4.118 -2.988 1.00 0.21 C ATOM 0 H ILE A 590 0.951 -4.238 -6.769 1.00 0.18 H new ATOM 0 HA ILE A 590 1.974 -2.296 -4.805 1.00 0.18 H new ATOM 0 HB ILE A 590 1.022 -5.164 -4.454 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.305 -2.474 -3.987 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.841 -3.756 -5.056 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.079 -4.648 -2.052 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.693 -4.526 -2.791 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.774 -3.050 -2.414 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.220 -3.663 -3.037 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.321 -5.198 -3.107 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.777 -3.896 -2.022 1.00 0.21 H new ATOM 1437 N ARG A 591 4.305 -3.183 -4.672 1.00 0.18 N ATOM 1438 CA ARG A 591 5.714 -3.554 -4.778 1.00 0.22 C ATOM 1439 C ARG A 591 6.459 -3.228 -3.488 1.00 0.18 C ATOM 1440 O ARG A 591 6.070 -2.323 -2.749 1.00 0.19 O ATOM 1441 CB ARG A 591 6.370 -2.802 -5.942 1.00 0.33 C ATOM 1442 CG ARG A 591 5.940 -3.281 -7.320 1.00 0.45 C ATOM 1443 CD ARG A 591 6.492 -4.663 -7.632 1.00 0.65 C ATOM 1444 NE ARG A 591 7.954 -4.695 -7.567 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.702 -5.717 -7.981 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.137 -6.787 -8.528 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.021 -5.664 -7.854 1.00 2.62 N ATOM 0 H ARG A 591 4.139 -2.325 -4.147 1.00 0.18 H new ATOM 0 HA ARG A 591 5.768 -4.628 -4.957 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.138 -1.741 -5.850 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.452 -2.900 -5.858 1.00 0.33 H new ATOM 0 HG2 ARG A 591 4.852 -3.303 -7.374 1.00 0.45 H new ATOM 0 HG3 ARG A 591 6.283 -2.573 -8.075 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.081 -5.385 -6.927 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.166 -4.968 -8.626 1.00 0.65 H new ATOM 0 HE ARG A 591 8.432 -3.881 -7.179 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.123 -6.831 -8.634 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.717 -7.565 -8.842 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.461 -4.842 -7.440 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.596 -6.445 -8.170 1.00 2.62 H new ATOM 1461 N MET A 592 7.529 -3.967 -3.220 1.00 0.17 N ATOM 1462 CA MET A 592 8.374 -3.695 -2.063 1.00 0.18 C ATOM 1463 C MET A 592 9.370 -2.598 -2.398 1.00 0.21 C ATOM 1464 O MET A 592 10.032 -2.650 -3.436 1.00 0.29 O ATOM 1465 CB MET A 592 9.122 -4.949 -1.608 1.00 0.19 C ATOM 1466 CG MET A 592 8.221 -6.039 -1.066 1.00 0.22 C ATOM 1467 SD MET A 592 9.152 -7.378 -0.297 1.00 0.29 S ATOM 1468 CE MET A 592 7.815 -8.441 0.230 1.00 0.34 C ATOM 0 H MET A 592 7.832 -4.759 -3.787 1.00 0.17 H new ATOM 0 HA MET A 592 7.729 -3.371 -1.246 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.691 -5.346 -2.449 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.843 -4.671 -0.839 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.535 -5.610 -0.335 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.613 -6.441 -1.876 1.00 0.22 H new ATOM 0 HE1 MET A 592 7.962 -8.721 1.273 1.00 0.34 H new ATOM 0 HE2 MET A 592 6.867 -7.912 0.126 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.799 -9.339 -0.388 1.00 0.34 H new ATOM 1478 N SER A 593 9.486 -1.615 -1.522 1.00 0.23 N ATOM 1479 CA SER A 593 10.345 -0.471 -1.777 1.00 0.26 C ATOM 1480 C SER A 593 11.823 -0.789 -1.546 1.00 0.25 C ATOM 1481 O SER A 593 12.197 -1.460 -0.575 1.00 0.27 O ATOM 1482 CB SER A 593 9.911 0.697 -0.907 1.00 0.34 C ATOM 1483 OG SER A 593 8.569 1.054 -1.185 1.00 1.37 O ATOM 0 H SER A 593 8.996 -1.586 -0.628 1.00 0.23 H new ATOM 0 HA SER A 593 10.240 -0.206 -2.829 1.00 0.26 H new ATOM 0 HB2 SER A 593 10.012 0.431 0.145 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.564 1.551 -1.084 1.00 0.34 H new ATOM 0 HG SER A 593 8.364 0.852 -2.122 1.00 1.37 H new ATOM 1489 N THR A 594 12.640 -0.305 -2.470 1.00 0.27 N ATOM 1490 CA THR A 594 14.083 -0.496 -2.426 1.00 0.30 C ATOM 1491 C THR A 594 14.786 0.650 -1.700 1.00 0.31 C ATOM 1492 O THR A 594 15.949 0.534 -1.320 1.00 0.33 O ATOM 1493 CB THR A 594 14.664 -0.623 -3.845 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.164 0.438 -4.665 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.305 -1.964 -4.468 1.00 0.38 C ATOM 0 H THR A 594 12.320 0.234 -3.275 1.00 0.27 H new ATOM 0 HA THR A 594 14.260 -1.419 -1.874 1.00 0.30 H new ATOM 0 HB THR A 594 15.750 -0.558 -3.777 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.536 0.357 -5.568 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.729 -2.025 -5.470 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.707 -2.770 -3.854 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.221 -2.059 -4.527 1.00 0.38 H new ATOM 1503 N ARG A 595 14.074 1.749 -1.495 1.00 0.32 N ATOM 1504 CA ARG A 595 14.713 2.973 -1.023 1.00 0.37 C ATOM 1505 C ARG A 595 14.497 3.199 0.469 1.00 0.37 C ATOM 1506 O ARG A 595 15.316 3.835 1.130 1.00 0.41 O ATOM 1507 CB ARG A 595 14.212 4.174 -1.823 1.00 0.41 C ATOM 1508 CG ARG A 595 14.560 4.101 -3.299 1.00 0.46 C ATOM 1509 CD ARG A 595 14.136 5.355 -4.042 1.00 0.56 C ATOM 1510 NE ARG A 595 14.472 5.280 -5.463 1.00 1.36 N ATOM 1511 CZ ARG A 595 14.120 6.199 -6.364 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.442 7.277 -5.991 1.00 1.16 N ATOM 1513 NH2 ARG A 595 14.464 6.048 -7.638 1.00 2.75 N ATOM 0 H ARG A 595 13.068 1.821 -1.645 1.00 0.32 H new ATOM 0 HA ARG A 595 15.786 2.860 -1.179 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.130 4.247 -1.715 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.637 5.085 -1.401 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.635 3.958 -3.412 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.074 3.233 -3.744 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.062 5.499 -3.929 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.623 6.223 -3.598 1.00 0.56 H new ATOM 0 HE ARG A 595 15.009 4.475 -5.786 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.188 7.406 -5.012 1.00 1.16 H new ATOM 0 HH12 ARG A 595 13.175 7.977 -6.684 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.998 5.229 -7.928 1.00 2.75 H new ATOM 0 HH22 ARG A 595 14.194 6.751 -8.326 1.00 2.75 H new ATOM 1527 N TYR A 596 13.399 2.690 1.000 1.00 0.35 N ATOM 1528 CA TYR A 596 13.107 2.855 2.417 1.00 0.37 C ATOM 1529 C TYR A 596 12.984 1.514 3.125 1.00 0.35 C ATOM 1530 O TYR A 596 12.688 0.487 2.505 1.00 0.36 O ATOM 1531 CB TYR A 596 11.832 3.672 2.620 1.00 0.39 C ATOM 1532 CG TYR A 596 11.989 5.136 2.289 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.578 5.643 1.066 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.545 6.012 3.211 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.716 6.984 0.772 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.688 7.352 2.923 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.272 7.834 1.703 1.00 0.56 C ATOM 1538 OH TYR A 596 12.404 9.173 1.416 1.00 0.65 O ATOM 0 H TYR A 596 12.699 2.163 0.478 1.00 0.35 H new ATOM 0 HA TYR A 596 13.946 3.395 2.857 1.00 0.37 H new ATOM 0 HB2 TYR A 596 11.040 3.252 2.001 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.511 3.576 3.657 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.144 4.979 0.333 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.871 5.637 4.170 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.390 7.366 -0.184 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.124 8.020 3.651 1.00 0.61 H new ATOM 0 HH TYR A 596 11.565 9.511 1.040 1.00 0.65 H new ATOM 1548 N LYS A 597 13.228 1.544 4.427 1.00 0.38 N ATOM 1549 CA LYS A 597 13.190 0.352 5.260 1.00 0.41 C ATOM 1550 C LYS A 597 11.970 0.361 6.163 1.00 0.41 C ATOM 1551 O LYS A 597 11.455 -0.684 6.524 1.00 0.48 O ATOM 1552 CB LYS A 597 14.444 0.282 6.122 1.00 0.50 C ATOM 1553 CG LYS A 597 15.729 0.262 5.313 1.00 0.62 C ATOM 1554 CD LYS A 597 16.835 1.042 6.003 1.00 1.29 C ATOM 1555 CE LYS A 597 16.497 2.524 6.103 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.625 3.314 6.660 1.00 2.18 N ATOM 0 H LYS A 597 13.458 2.397 4.936 1.00 0.38 H new ATOM 0 HA LYS A 597 13.139 -0.517 4.604 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.461 1.138 6.797 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.400 -0.613 6.743 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.049 -0.769 5.163 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.545 0.686 4.326 1.00 0.62 H new ATOM 0 HD2 LYS A 597 16.998 0.637 7.002 1.00 1.29 H new ATOM 0 HD3 LYS A 597 17.767 0.917 5.452 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.240 2.905 5.115 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.617 2.654 6.733 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.354 4.317 6.712 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 17.854 2.968 7.614 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.458 3.211 6.045 1.00 2.18 H new ATOM 1570 N GLU A 598 11.502 1.549 6.510 1.00 0.38 N ATOM 1571 CA GLU A 598 10.391 1.679 7.438 1.00 0.41 C ATOM 1572 C GLU A 598 9.475 2.825 7.027 1.00 0.34 C ATOM 1573 O GLU A 598 9.919 3.812 6.438 1.00 0.33 O ATOM 1574 CB GLU A 598 10.942 1.922 8.846 1.00 0.55 C ATOM 1575 CG GLU A 598 9.884 2.122 9.918 1.00 0.62 C ATOM 1576 CD GLU A 598 10.494 2.469 11.259 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.691 1.554 12.088 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.800 3.662 11.482 1.00 0.91 O ATOM 0 H GLU A 598 11.873 2.434 6.164 1.00 0.38 H new ATOM 0 HA GLU A 598 9.806 0.760 7.425 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.568 1.075 9.127 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.586 2.801 8.822 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.204 2.917 9.612 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.289 1.214 10.014 1.00 0.62 H new ATOM 1585 N LEU A 599 8.195 2.678 7.338 1.00 0.36 N ATOM 1586 CA LEU A 599 7.214 3.709 7.057 1.00 0.32 C ATOM 1587 C LEU A 599 6.897 4.509 8.305 1.00 0.33 C ATOM 1588 O LEU A 599 6.552 3.949 9.345 1.00 0.37 O ATOM 1589 CB LEU A 599 5.927 3.104 6.495 1.00 0.33 C ATOM 1590 CG LEU A 599 6.051 2.492 5.101 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.699 2.033 4.589 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.667 3.487 4.135 1.00 0.33 C ATOM 0 H LEU A 599 7.812 1.847 7.789 1.00 0.36 H new ATOM 0 HA LEU A 599 7.645 4.375 6.310 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.576 2.334 7.182 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.162 3.880 6.467 1.00 0.33 H new ATOM 0 HG LEU A 599 6.705 1.623 5.172 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.814 1.601 3.595 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.289 1.283 5.265 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.021 2.885 4.538 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.747 3.033 3.147 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.037 4.375 4.076 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.660 3.769 4.487 1.00 0.33 H new ATOM 1604 N GLN A 600 7.021 5.818 8.198 1.00 0.36 N ATOM 1605 CA GLN A 600 6.688 6.704 9.298 1.00 0.44 C ATOM 1606 C GLN A 600 5.479 7.550 8.929 1.00 0.39 C ATOM 1607 O GLN A 600 5.367 8.024 7.797 1.00 0.43 O ATOM 1608 CB GLN A 600 7.881 7.593 9.661 1.00 0.59 C ATOM 1609 CG GLN A 600 8.376 8.468 8.522 1.00 0.85 C ATOM 1610 CD GLN A 600 9.613 9.259 8.893 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.422 8.823 9.714 1.00 1.52 O ATOM 1612 NE2 GLN A 600 9.774 10.419 8.283 1.00 1.34 N ATOM 0 H GLN A 600 7.351 6.293 7.358 1.00 0.36 H new ATOM 0 HA GLN A 600 6.443 6.101 10.173 1.00 0.44 H new ATOM 0 HB2 GLN A 600 7.602 8.231 10.500 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.701 6.960 10.001 1.00 0.59 H new ATOM 0 HG2 GLN A 600 8.595 7.843 7.656 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.584 9.156 8.226 1.00 0.85 H new ATOM 0 HE21 GLN A 600 9.079 10.742 7.610 1.00 1.34 H new ATOM 0 HE22 GLN A 600 10.593 10.992 8.485 1.00 1.34 H new ATOM 1621 N LEU A 601 4.570 7.727 9.871 1.00 0.37 N ATOM 1622 CA LEU A 601 3.353 8.477 9.610 1.00 0.34 C ATOM 1623 C LEU A 601 3.568 9.966 9.826 1.00 0.39 C ATOM 1624 O LEU A 601 3.378 10.475 10.931 1.00 0.46 O ATOM 1625 CB LEU A 601 2.207 7.995 10.504 1.00 0.36 C ATOM 1626 CG LEU A 601 1.706 6.573 10.239 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.527 6.257 11.146 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.313 6.401 8.779 1.00 0.32 C ATOM 0 H LEU A 601 4.650 7.363 10.821 1.00 0.37 H new ATOM 0 HA LEU A 601 3.087 8.306 8.567 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.531 8.058 11.543 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.369 8.682 10.390 1.00 0.36 H new ATOM 0 HG LEU A 601 2.515 5.876 10.457 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.178 5.243 10.949 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.837 6.338 12.188 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.281 6.963 10.952 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.960 5.383 8.615 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.519 7.105 8.531 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.178 6.592 8.144 1.00 0.32 H new ATOM 1640 N LYS A 602 3.983 10.664 8.776 1.00 0.41 N ATOM 1641 CA LYS A 602 4.041 12.117 8.811 1.00 0.48 C ATOM 1642 C LYS A 602 2.626 12.672 8.912 1.00 0.46 C ATOM 1643 O LYS A 602 2.397 13.763 9.433 1.00 0.51 O ATOM 1644 CB LYS A 602 4.728 12.650 7.550 1.00 0.59 C ATOM 1645 CG LYS A 602 6.157 12.153 7.369 1.00 0.69 C ATOM 1646 CD LYS A 602 7.065 12.592 8.509 1.00 0.93 C ATOM 1647 CE LYS A 602 7.183 14.106 8.597 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.773 14.698 7.367 1.00 1.73 N ATOM 0 H LYS A 602 4.283 10.248 7.894 1.00 0.41 H new ATOM 0 HA LYS A 602 4.619 12.435 9.679 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.140 12.362 6.678 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.734 13.739 7.584 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.156 11.065 7.305 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.554 12.528 6.425 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.677 12.204 9.451 1.00 0.93 H new ATOM 0 HD3 LYS A 602 8.056 12.159 8.370 1.00 0.93 H new ATOM 0 HE2 LYS A 602 6.196 14.536 8.767 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.799 14.371 9.457 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 8.006 15.697 7.540 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.638 14.180 7.113 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 7.088 14.632 6.587 1.00 1.73 H new ATOM 1662 N LYS A 603 1.682 11.898 8.399 1.00 0.44 N ATOM 1663 CA LYS A 603 0.270 12.205 8.521 1.00 0.48 C ATOM 1664 C LYS A 603 -0.403 11.110 9.335 1.00 0.54 C ATOM 1665 O LYS A 603 -0.141 9.925 9.117 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.379 12.318 7.138 1.00 0.58 C ATOM 1667 CG LYS A 603 0.175 13.457 6.295 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.109 14.808 6.930 1.00 0.79 C ATOM 1669 CE LYS A 603 0.539 15.940 6.150 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.021 16.030 4.757 1.00 1.69 N ATOM 0 H LYS A 603 1.876 11.038 7.886 1.00 0.44 H new ATOM 0 HA LYS A 603 0.150 13.163 9.026 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.238 11.379 6.602 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.453 12.457 7.260 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.251 13.330 6.172 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.266 13.422 5.299 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.186 14.969 6.979 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.261 14.814 7.955 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.359 16.884 6.665 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.619 15.791 6.126 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.783 16.343 4.123 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.321 15.096 4.453 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -0.762 16.714 4.721 1.00 1.69 H new ATOM 1684 N PRO A 604 -1.263 11.496 10.289 1.00 0.67 N ATOM 1685 CA PRO A 604 -1.920 10.552 11.199 1.00 0.81 C ATOM 1686 C PRO A 604 -2.811 9.552 10.471 1.00 0.80 C ATOM 1687 O PRO A 604 -3.168 9.743 9.305 1.00 1.21 O ATOM 1688 CB PRO A 604 -2.763 11.449 12.110 1.00 1.01 C ATOM 1689 CG PRO A 604 -2.926 12.723 11.356 1.00 1.04 C ATOM 1690 CD PRO A 604 -1.669 12.884 10.553 1.00 0.82 C ATOM 0 HA PRO A 604 -1.191 9.943 11.733 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -3.729 10.993 12.328 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -2.267 11.617 13.066 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -3.802 12.685 10.708 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -3.067 13.564 12.035 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -1.848 13.434 9.629 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -0.904 13.430 11.106 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.184 8.500 11.176 1.00 0.68 N ATOM 1699 CA GLY A 605 -3.985 7.462 10.585 1.00 0.80 C ATOM 1700 C GLY A 605 -5.214 7.170 11.407 1.00 0.84 C ATOM 1701 O GLY A 605 -5.139 7.047 12.632 1.00 1.23 O ATOM 0 H GLY A 605 -2.942 8.348 12.155 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.282 7.760 9.579 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.389 6.555 10.486 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.347 7.079 10.741 1.00 0.92 N ATOM 1706 CA LYS A 606 -7.603 6.736 11.395 1.00 1.10 C ATOM 1707 C LYS A 606 -7.608 5.253 11.744 1.00 0.81 C ATOM 1708 O LYS A 606 -6.744 4.505 11.279 1.00 0.82 O ATOM 1709 CB LYS A 606 -8.784 7.067 10.479 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.682 6.422 9.103 1.00 1.82 C ATOM 1711 CD LYS A 606 -9.880 6.745 8.223 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.063 8.243 8.026 1.00 2.84 C ATOM 1713 NZ LYS A 606 -8.824 8.907 7.536 1.00 3.47 N ATOM 0 H LYS A 606 -6.428 7.239 9.737 1.00 0.92 H new ATOM 0 HA LYS A 606 -7.701 7.320 12.310 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.708 6.741 10.957 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -8.851 8.149 10.361 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -7.771 6.763 8.611 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -8.598 5.341 9.216 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -9.755 6.265 7.252 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -10.781 6.327 8.671 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -10.871 8.417 7.315 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.366 8.696 8.970 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -9.079 9.721 6.941 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -8.261 9.233 8.347 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -8.266 8.231 6.976 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.555 4.830 12.573 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.684 3.425 12.931 1.00 0.48 C ATOM 1729 C ASN A 607 -8.865 2.561 11.687 1.00 0.43 C ATOM 1730 O ASN A 607 -9.816 2.734 10.925 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.875 3.242 13.876 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.079 1.800 14.290 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.765 1.041 13.611 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.496 1.418 15.414 1.00 1.33 N ATOM 0 H ASN A 607 -9.245 5.441 13.010 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.770 3.109 13.434 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.724 3.853 14.766 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.779 3.607 13.389 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.608 0.460 15.747 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.934 2.081 15.948 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.951 1.622 11.502 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.933 0.788 10.311 1.00 0.22 C ATOM 1743 C VAL A 608 -8.829 -0.445 10.487 1.00 0.21 C ATOM 1744 O VAL A 608 -9.230 -1.085 9.513 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.474 0.391 9.961 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.416 -0.641 8.850 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.674 1.629 9.567 1.00 0.27 C ATOM 0 H VAL A 608 -7.206 1.417 12.168 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.338 1.360 9.476 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.035 -0.059 10.851 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.376 -0.889 8.638 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.948 -1.540 9.161 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.883 -0.236 7.952 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.652 1.339 9.323 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.135 2.099 8.698 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.663 2.335 10.398 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.182 -0.751 11.731 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.097 -1.858 12.012 1.00 0.33 C ATOM 1759 C ALA A 609 -11.481 -1.584 11.421 1.00 0.32 C ATOM 1760 O ALA A 609 -12.169 -2.496 10.949 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.198 -2.101 13.507 1.00 0.44 C ATOM 0 H ALA A 609 -8.852 -0.253 12.558 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.696 -2.756 11.541 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.883 -2.928 13.696 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.213 -2.348 13.903 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.571 -1.202 13.997 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.876 -0.317 11.428 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.135 0.091 10.824 1.00 0.35 C ATOM 1769 C ALA A 610 -13.103 -0.165 9.324 1.00 0.30 C ATOM 1770 O ALA A 610 -14.132 -0.428 8.703 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.411 1.559 11.107 1.00 0.40 C ATOM 0 H ALA A 610 -11.342 0.445 11.846 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.940 -0.499 11.263 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.357 1.847 10.648 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.468 1.718 12.184 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.607 2.167 10.693 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.905 -0.116 8.756 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.716 -0.366 7.336 1.00 0.23 C ATOM 1779 C ILE A 611 -11.938 -1.852 7.041 1.00 0.22 C ATOM 1780 O ILE A 611 -12.391 -2.223 5.957 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.306 0.073 6.875 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.109 1.565 7.154 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.113 -0.208 5.391 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.717 2.064 6.847 1.00 0.23 C ATOM 0 H ILE A 611 -11.045 0.096 9.262 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.445 0.223 6.780 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.565 -0.499 7.433 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.827 2.133 6.563 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.332 1.762 8.203 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.115 0.108 5.088 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.227 -1.276 5.205 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.858 0.342 4.817 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.655 3.129 7.070 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.994 1.523 7.457 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.496 1.901 5.792 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.621 -2.702 8.022 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.936 -4.127 7.935 1.00 0.24 C ATOM 1798 C ILE A 612 -13.442 -4.313 7.804 1.00 0.27 C ATOM 1799 O ILE A 612 -13.921 -5.126 7.008 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.457 -4.903 9.188 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.958 -4.710 9.420 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.778 -6.382 9.046 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.447 -5.350 10.694 1.00 0.31 C ATOM 0 H ILE A 612 -11.148 -2.427 8.883 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.417 -4.520 7.061 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.987 -4.504 10.053 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.413 -5.125 8.572 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.739 -3.643 9.448 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.436 -6.915 9.933 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.855 -6.512 8.937 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.274 -6.781 8.166 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.376 -5.170 10.788 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.964 -4.918 11.551 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.633 -6.424 10.662 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.184 -3.533 8.580 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.640 -3.560 8.519 1.00 0.35 C ATOM 1817 C GLN A 613 -16.126 -3.083 7.149 1.00 0.34 C ATOM 1818 O GLN A 613 -17.163 -3.528 6.655 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.241 -2.696 9.630 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.853 -3.138 11.034 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.117 -4.611 11.278 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.215 -5.003 11.671 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.104 -5.436 11.076 1.00 2.31 N ATOM 0 H GLN A 613 -13.802 -2.874 9.259 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.971 -4.588 8.666 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.925 -1.663 9.485 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.327 -2.712 9.542 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.795 -2.931 11.196 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.409 -2.548 11.763 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.208 -5.073 10.750 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -15.218 -6.435 11.247 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.350 -2.193 6.537 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.661 -1.686 5.200 1.00 0.33 C ATOM 1834 C ASP A 614 -15.542 -2.804 4.167 1.00 0.30 C ATOM 1835 O ASP A 614 -16.393 -2.941 3.290 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.753 -0.514 4.805 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.092 0.773 5.532 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.217 1.316 6.231 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.243 1.247 5.417 1.00 1.09 O ATOM 0 H ASP A 614 -14.499 -1.806 6.945 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.687 -1.320 5.224 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.716 -0.779 5.013 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.830 -0.348 3.730 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.488 -3.610 4.288 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.261 -4.732 3.382 1.00 0.27 C ATOM 1846 C ILE A 615 -15.378 -5.756 3.503 1.00 0.32 C ATOM 1847 O ILE A 615 -15.920 -6.230 2.505 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.930 -5.432 3.701 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.783 -4.445 3.557 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.716 -6.630 2.783 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.471 -4.964 4.072 1.00 0.18 C ATOM 0 H ILE A 615 -13.775 -3.505 5.009 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.234 -4.330 2.369 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.963 -5.794 4.729 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.672 -4.182 2.505 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.035 -3.528 4.090 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.768 -7.110 3.026 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.529 -7.343 2.919 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.697 -6.295 1.746 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.701 -4.205 3.936 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.564 -5.200 5.132 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.195 -5.864 3.523 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.715 -6.084 4.741 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.747 -7.077 5.021 1.00 0.46 C ATOM 1865 C HIS A 616 -18.103 -6.613 4.498 1.00 0.44 C ATOM 1866 O HIS A 616 -18.907 -7.421 4.032 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.834 -7.360 6.524 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.619 -8.029 7.098 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.507 -8.357 8.432 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.463 -8.434 6.518 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.338 -8.930 8.646 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.685 -8.990 7.502 1.00 0.82 N ATOM 0 H HIS A 616 -15.288 -5.676 5.573 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.472 -7.998 4.507 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.999 -6.420 7.050 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.704 -7.988 6.714 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.202 -8.337 5.474 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.977 -9.289 9.598 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.754 -9.385 7.370 1.00 0.82 H new ATOM 1881 N SER A 617 -18.350 -5.312 4.572 1.00 0.45 N ATOM 1882 CA SER A 617 -19.584 -4.741 4.062 1.00 0.51 C ATOM 1883 C SER A 617 -19.569 -4.677 2.533 1.00 0.49 C ATOM 1884 O SER A 617 -20.616 -4.786 1.888 1.00 0.57 O ATOM 1885 CB SER A 617 -19.803 -3.348 4.650 1.00 0.58 C ATOM 1886 OG SER A 617 -19.813 -3.393 6.067 1.00 1.18 O ATOM 0 H SER A 617 -17.709 -4.633 4.982 1.00 0.45 H new ATOM 0 HA SER A 617 -20.409 -5.386 4.365 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.015 -2.677 4.309 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.747 -2.941 4.288 1.00 0.58 H new ATOM 0 HG SER A 617 -18.899 -3.285 6.404 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.366 -4.513 1.975 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.152 -4.392 0.529 1.00 0.58 C ATOM 1894 C GLN A 618 -18.694 -3.073 -0.007 1.00 1.36 C ATOM 1895 O GLN A 618 -19.376 -2.330 0.698 1.00 2.14 O ATOM 1896 CB GLN A 618 -18.785 -5.553 -0.245 1.00 1.70 C ATOM 1897 CG GLN A 618 -18.130 -6.900 -0.002 1.00 2.78 C ATOM 1898 CD GLN A 618 -18.688 -7.975 -0.912 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -19.111 -7.696 -2.036 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -18.703 -9.207 -0.437 1.00 4.68 N ATOM 0 H GLN A 618 -17.505 -4.460 2.519 1.00 0.49 H new ATOM 0 HA GLN A 618 -17.073 -4.422 0.377 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -19.839 -5.621 0.024 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -18.742 -5.329 -1.311 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.055 -6.814 -0.159 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -18.278 -7.193 1.038 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -18.344 -9.397 0.498 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -19.074 -9.968 -1.006 1.00 4.68 H new ATOM 1909 N ARG A 619 -18.370 -2.785 -1.258 1.00 2.22 N ATOM 1910 CA ARG A 619 -18.879 -1.601 -1.929 1.00 3.46 C ATOM 1911 C ARG A 619 -19.456 -1.991 -3.280 1.00 4.18 C ATOM 1912 O ARG A 619 -18.781 -2.638 -4.084 1.00 4.57 O ATOM 1913 CB ARG A 619 -17.776 -0.555 -2.116 1.00 4.18 C ATOM 1914 CG ARG A 619 -17.238 0.018 -0.813 1.00 4.41 C ATOM 1915 CD ARG A 619 -16.239 1.135 -1.062 1.00 5.33 C ATOM 1916 NE ARG A 619 -16.825 2.236 -1.826 1.00 6.03 N ATOM 1917 CZ ARG A 619 -16.226 3.406 -2.044 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -15.017 3.649 -1.545 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -16.837 4.335 -2.763 1.00 7.77 N ATOM 0 H ARG A 619 -17.753 -3.360 -1.831 1.00 2.22 H new ATOM 0 HA ARG A 619 -19.660 -1.162 -1.308 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -16.953 -1.006 -2.670 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -18.163 0.260 -2.727 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -18.065 0.396 -0.213 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -16.762 -0.775 -0.236 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -15.872 1.512 -0.107 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -15.379 0.738 -1.601 1.00 5.33 H new ATOM 0 HE ARG A 619 -17.756 2.099 -2.219 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -14.541 2.937 -0.991 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -14.566 4.547 -1.717 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -17.764 4.154 -3.148 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -16.381 5.232 -2.931 1.00 7.77 H new ATOM 1933 N GLU A 620 -20.696 -1.601 -3.527 1.00 4.80 N ATOM 1934 CA GLU A 620 -21.377 -1.950 -4.766 1.00 5.84 C ATOM 1935 C GLU A 620 -20.939 -1.025 -5.898 1.00 6.68 C ATOM 1936 O GLU A 620 -21.736 -0.236 -6.404 1.00 7.20 O ATOM 1937 CB GLU A 620 -22.894 -1.872 -4.573 1.00 6.43 C ATOM 1938 CG GLU A 620 -23.430 -2.850 -3.541 1.00 6.93 C ATOM 1939 CD GLU A 620 -23.288 -4.295 -3.971 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -22.305 -4.945 -3.556 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -24.148 -4.789 -4.732 1.00 7.86 O ATOM 0 H GLU A 620 -21.255 -1.040 -2.884 1.00 4.80 H new ATOM 0 HA GLU A 620 -21.108 -2.972 -5.034 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -23.162 -0.859 -4.273 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -23.383 -2.062 -5.529 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -22.902 -2.703 -2.599 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -24.482 -2.633 -3.354 1.00 6.93 H new ATOM 1948 N ARG A 621 -19.668 -1.142 -6.283 1.00 7.11 N ATOM 1949 CA ARG A 621 -19.066 -0.302 -7.318 1.00 8.13 C ATOM 1950 C ARG A 621 -19.080 1.163 -6.897 1.00 9.01 C ATOM 1951 O ARG A 621 -18.132 1.589 -6.203 1.00 9.48 O ATOM 1952 CB ARG A 621 -19.777 -0.481 -8.663 1.00 8.49 C ATOM 1953 CG ARG A 621 -19.686 -1.893 -9.219 1.00 8.97 C ATOM 1954 CD ARG A 621 -20.418 -2.016 -10.544 1.00 9.41 C ATOM 1955 NE ARG A 621 -19.866 -1.129 -11.566 1.00 9.86 N ATOM 1956 CZ ARG A 621 -20.534 -0.732 -12.649 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -21.798 -1.096 -12.829 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -19.941 0.044 -13.545 1.00 11.00 N ATOM 1959 OXT ARG A 621 -20.040 1.882 -7.245 1.00 9.43 O ATOM 0 H ARG A 621 -19.024 -1.825 -5.884 1.00 7.11 H new ATOM 0 HA ARG A 621 -18.030 -0.618 -7.442 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -20.827 -0.212 -8.547 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -19.348 0.213 -9.386 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -18.639 -2.166 -9.353 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -20.109 -2.596 -8.501 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -20.363 -3.047 -10.893 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -21.473 -1.785 -10.397 1.00 9.41 H new ATOM 0 HE ARG A 621 -18.911 -0.793 -11.443 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -22.263 -1.683 -12.136 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -22.304 -0.789 -13.660 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -18.974 0.337 -13.406 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -20.452 0.348 -14.374 1.00 11.00 H new TER 1973 ARG A 621