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 523 HIS :FLIP no HE2:sc= -0.781 F(o=-0.64,f=0.63) USER MOD Set 1.2: A 558 GLN : amide:sc= 0.459 K(o=0.63,f=-3.9) USER MOD Set 1.3: B 2 U O2' : rot 54:sc= 0.957 USER MOD Set 2.1: A 535 ASN : amide:sc= 0.178 K(o=0.3,f=-7.3!) USER MOD Set 2.2: A 539 ASN : amide:sc= -2.33 K(o=0.3,f=-4) USER MOD Set 2.3: A 618 GLN : amide:sc= 2.45 K(o=0.3,f=-3.9) USER MOD Set 3.1: A 602 LYS NZ :NH3+ 180:sc= 0.665 (180deg=0) USER MOD Set 3.2: B 4 U O2' : rot 20:sc= 0.738 USER MOD Set 4.1: A 531 SER OG : rot 6:sc= 1.05 USER MOD Set 4.2: A 584 ASN : amide:sc= 1 K(o=2.1,f=1.4) USER MOD Set 5.1: A 574 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.32) USER MOD Set 5.2: A 577 GLN : amide:sc=-0.00478 K(o=-0.41,f=-1.1) USER MOD Set 6.1: A 563 MET CE :methyl -175:sc= -5.95! (180deg=-6.48!) USER MOD Set 6.2: A 572 MET CE :methyl 165:sc= -4.45! (180deg=-5.3!) USER MOD Single : A 512 MET CE :methyl -159:sc= -0.12 (180deg=-0.675) USER MOD Single : A 514 GLN : amide:sc= 1.1 K(o=1.1,f=-1.2) USER MOD Single : A 516 LYS NZ :NH3+ -128:sc= 0.559 (180deg=-0.0611) USER MOD Single : A 525 CYS SG : rot -21:sc= -1.13! USER MOD Single : A 526 ASN : amide:sc= 0.826 K(o=0.83,f=-0.75) USER MOD Single : A 532 CYS SG : rot 12:sc= -1.32! USER MOD Single : A 533 THR OG1 : rot -104:sc= 1.96 USER MOD Single : A 546 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0564) USER MOD Single : A 548 THR OG1 : rot 129:sc= 1.22 USER MOD Single : A 549 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.9) USER MOD Single : A 550 TYR OH : rot 159:sc= 0.494 USER MOD Single : A 553 MET CE :methyl -138:sc= -2.39! (180deg=-3.18!) USER MOD Single : A 554 LYS NZ :NH3+ 166:sc= -0.0104 (180deg=-0.166) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.8!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 128:sc= 1.03 USER MOD Single : A 570 GLN :FLIP amide:sc= -0.625 F(o=-2.1!,f=-0.63) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 60:sc= -2.16! USER MOD Single : A 579 LYS NZ :NH3+ 170:sc= -0.0216 (180deg=-0.18) USER MOD Single : A 587 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0224) USER MOD Single : A 592 MET CE :methyl 147:sc= -0.004 (180deg=-0.455) USER MOD Single : A 593 SER OG : rot -159:sc= -2.92! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 596 TYR OH : rot 4:sc= 1.28 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.56) USER MOD Single : A 603 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0119) USER MOD Single : A 606 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.85) USER MOD Single : A 607 ASN : amide:sc= -0.171 K(o=-0.17,f=-8!) USER MOD Single : A 613 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.38) USER MOD Single : A 616 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.021) USER MOD Single : A 617 SER OG : rot 65:sc= 1.12 USER MOD Single : B 1 ADN O2' : rot 23:sc= 0.199 USER MOD Single : B 1 ADN O5' : rot 180:sc= 0.708 USER MOD Single : B 3 C O2' : rot -69:sc= -2.03! USER MOD Single : B 5 U O2' : rot -47:sc= 1.28 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 129:sc= 0.154 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 9.828 -1.443 -12.596 1.00 3.64 O HETATM 2 C5' ADN B 1 9.333 -0.131 -12.882 1.00 3.04 C HETATM 3 C4' ADN B 1 9.675 0.838 -11.776 1.00 2.61 C HETATM 4 O4' ADN B 1 9.493 0.156 -10.505 1.00 3.25 O HETATM 5 C3' ADN B 1 11.117 1.327 -11.764 1.00 2.05 C HETATM 6 O3' ADN B 1 11.210 2.635 -11.214 1.00 2.33 O HETATM 7 C2' ADN B 1 11.823 0.302 -10.887 1.00 2.68 C HETATM 8 O2' ADN B 1 12.953 0.852 -10.240 1.00 3.28 O HETATM 9 C1' ADN B 1 10.738 0.018 -9.850 1.00 3.33 C HETATM 10 N9 ADN B 1 10.805 -1.330 -9.292 1.00 4.21 N HETATM 11 C8 ADN B 1 11.262 -2.460 -9.913 1.00 4.58 C HETATM 12 N7 ADN B 1 11.197 -3.539 -9.171 1.00 5.53 N HETATM 13 C5 ADN B 1 10.657 -3.084 -7.976 1.00 5.90 C HETATM 14 C6 ADN B 1 10.334 -3.738 -6.776 1.00 7.05 C HETATM 15 N6 ADN B 1 10.513 -5.045 -6.575 1.00 7.92 N HETATM 16 N1 ADN B 1 9.810 -2.995 -5.780 1.00 7.44 N HETATM 17 C2 ADN B 1 9.627 -1.684 -5.983 1.00 6.72 C HETATM 18 N3 ADN B 1 9.890 -0.955 -7.064 1.00 5.56 N HETATM 19 C4 ADN B 1 10.410 -1.724 -8.037 1.00 5.16 C HETATM 0 HO5' ADN B 1 9.590 -2.049 -13.328 1.00 3.64 H new HETATM 0 HO2' ADN B 1 12.853 1.825 -10.178 1.00 3.28 H new HETATM 0 HN62 ADN B 1 10.259 -5.463 -5.680 1.00 7.92 H new HETATM 0 HN61 ADN B 1 10.904 -5.626 -7.316 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 9.756 0.223 -13.822 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 8.252 -0.169 -13.014 1.00 3.04 H new HETATM 0 H8 ADN B 1 11.646 -2.463 -10.933 1.00 4.58 H new HETATM 0 H4' ADN B 1 9.026 1.699 -11.939 1.00 2.61 H new HETATM 0 H3' ADN B 1 11.553 1.405 -12.760 1.00 2.05 H new HETATM 0 H2' ADN B 1 12.192 -0.562 -11.440 1.00 2.68 H new HETATM 0 H2 ADN B 1 9.202 -1.136 -5.142 1.00 6.72 H new HETATM 0 H1' ADN B 1 10.874 0.714 -9.022 1.00 3.33 H new ATOM 32 P U B 2 11.390 3.907 -12.181 1.00 2.37 P ATOM 33 OP1 U B 2 10.921 3.540 -13.540 1.00 2.99 O ATOM 34 OP2 U B 2 12.773 4.410 -11.991 1.00 2.93 O ATOM 35 O5' U B 2 10.384 4.987 -11.580 1.00 2.04 O ATOM 36 C5' U B 2 10.437 5.337 -10.200 1.00 1.73 C ATOM 37 C4' U B 2 9.226 6.157 -9.819 1.00 1.24 C ATOM 38 O4' U B 2 8.074 5.683 -10.571 1.00 1.07 O ATOM 39 C3' U B 2 8.811 6.058 -8.355 1.00 0.95 C ATOM 40 O3' U B 2 8.222 7.276 -7.911 1.00 0.97 O ATOM 41 C2' U B 2 7.797 4.922 -8.374 1.00 0.83 C ATOM 42 O2' U B 2 6.894 4.996 -7.289 1.00 1.12 O ATOM 43 C1' U B 2 7.069 5.258 -9.671 1.00 0.74 C ATOM 44 N1 U B 2 6.337 4.129 -10.264 1.00 0.76 N ATOM 45 C2 U B 2 4.958 4.222 -10.342 1.00 1.11 C ATOM 46 O2 U B 2 4.332 5.184 -9.929 1.00 1.49 O ATOM 47 N3 U B 2 4.333 3.139 -10.909 1.00 1.23 N ATOM 48 C4 U B 2 4.933 1.997 -11.395 1.00 1.12 C ATOM 49 O4 U B 2 4.233 1.102 -11.873 1.00 1.35 O ATOM 50 C5 U B 2 6.358 1.979 -11.279 1.00 1.05 C ATOM 51 C6 U B 2 7.000 3.017 -10.730 1.00 0.89 C ATOM 0 H5' U B 2 11.346 5.903 -9.996 1.00 1.73 H new ATOM 0 H5'' U B 2 10.480 4.434 -9.590 1.00 1.73 H new ATOM 0 H4' U B 2 9.516 7.186 -10.030 1.00 1.24 H new ATOM 0 H3' U B 2 9.643 5.878 -7.674 1.00 0.95 H new ATOM 0 H2' U B 2 8.237 3.927 -8.305 1.00 0.83 H new ATOM 0 HO2' U B 2 6.472 5.880 -7.274 1.00 1.12 H new ATOM 0 H1' U B 2 6.311 6.013 -9.463 1.00 0.74 H new ATOM 0 H3 U B 2 3.316 3.184 -10.978 1.00 1.23 H new ATOM 0 H5 U B 2 6.917 1.126 -11.635 1.00 1.05 H new ATOM 0 H6 U B 2 8.076 2.981 -10.650 1.00 0.89 H new ATOM 62 P C B 3 8.746 7.994 -6.571 1.00 1.05 P ATOM 63 OP1 C B 3 8.195 9.373 -6.568 1.00 1.58 O ATOM 64 OP2 C B 3 10.215 7.794 -6.477 1.00 1.17 O ATOM 65 O5' C B 3 8.052 7.169 -5.397 1.00 1.07 O ATOM 66 C5' C B 3 7.291 7.820 -4.379 1.00 0.98 C ATOM 67 C4' C B 3 7.830 7.457 -3.016 1.00 0.86 C ATOM 68 O4' C B 3 8.101 6.028 -2.990 1.00 0.90 O ATOM 69 C3' C B 3 9.139 8.139 -2.633 1.00 0.69 C ATOM 70 O3' C B 3 9.151 8.482 -1.249 1.00 0.87 O ATOM 71 C2' C B 3 10.205 7.100 -2.965 1.00 0.63 C ATOM 72 O2' C B 3 11.325 7.196 -2.109 1.00 0.82 O ATOM 73 C1' C B 3 9.459 5.800 -2.674 1.00 0.75 C ATOM 74 N1 C B 3 9.941 4.657 -3.465 1.00 0.69 N ATOM 75 C2 C B 3 10.617 3.615 -2.819 1.00 0.96 C ATOM 76 O2 C B 3 10.777 3.670 -1.589 1.00 1.32 O ATOM 77 N3 C B 3 11.081 2.575 -3.549 1.00 0.95 N ATOM 78 C4 C B 3 10.890 2.549 -4.871 1.00 0.70 C ATOM 79 N4 C B 3 11.369 1.507 -5.553 1.00 0.76 N ATOM 80 C5 C B 3 10.204 3.594 -5.555 1.00 0.69 C ATOM 81 C6 C B 3 9.750 4.618 -4.820 1.00 0.67 C ATOM 0 H5' C B 3 6.244 7.528 -4.454 1.00 0.98 H new ATOM 0 H5'' C B 3 7.331 8.900 -4.519 1.00 0.98 H new ATOM 0 H4' C B 3 7.065 7.785 -2.312 1.00 0.86 H new ATOM 0 H3' C B 3 9.299 9.078 -3.163 1.00 0.69 H new ATOM 0 H2' C B 3 10.599 7.202 -3.976 1.00 0.63 H new ATOM 0 HO2' C B 3 11.812 8.025 -2.300 1.00 0.82 H new ATOM 0 H1' C B 3 9.618 5.541 -1.627 1.00 0.75 H new ATOM 0 H41 C B 3 11.240 1.456 -6.564 1.00 0.76 H new ATOM 0 H42 C B 3 11.864 0.761 -5.064 1.00 0.76 H new ATOM 0 H5 C B 3 10.056 3.562 -6.624 1.00 0.69 H new ATOM 0 H6 C B 3 9.224 5.427 -5.305 1.00 0.67 H new ATOM 93 P U B 4 9.521 9.974 -0.776 1.00 0.75 P ATOM 94 OP1 U B 4 9.568 10.844 -1.981 1.00 1.02 O ATOM 95 OP2 U B 4 10.708 9.897 0.112 1.00 1.15 O ATOM 96 O5' U B 4 8.272 10.419 0.105 1.00 0.71 O ATOM 97 C5' U B 4 7.004 10.658 -0.497 1.00 0.76 C ATOM 98 C4' U B 4 6.028 11.177 0.532 1.00 0.65 C ATOM 99 O4' U B 4 5.777 10.129 1.508 1.00 0.61 O ATOM 100 C3' U B 4 6.510 12.372 1.348 1.00 0.67 C ATOM 101 O3' U B 4 5.423 13.199 1.744 1.00 0.79 O ATOM 102 C2' U B 4 7.164 11.714 2.554 1.00 0.63 C ATOM 103 O2' U B 4 7.176 12.571 3.679 1.00 0.77 O ATOM 104 C1' U B 4 6.180 10.572 2.788 1.00 0.58 C ATOM 105 N1 U B 4 6.742 9.437 3.532 1.00 0.58 N ATOM 106 C2 U B 4 6.566 9.421 4.903 1.00 0.66 C ATOM 107 O2 U B 4 5.987 10.308 5.509 1.00 0.71 O ATOM 108 N3 U B 4 7.091 8.327 5.541 1.00 0.75 N ATOM 109 C4 U B 4 7.759 7.270 4.965 1.00 0.79 C ATOM 110 O4 U B 4 8.157 6.348 5.676 1.00 0.93 O ATOM 111 C5 U B 4 7.905 7.362 3.544 1.00 0.72 C ATOM 112 C6 U B 4 7.405 8.415 2.888 1.00 0.62 C ATOM 0 H5' U B 4 6.623 9.737 -0.938 1.00 0.76 H new ATOM 0 H5'' U B 4 7.108 11.380 -1.307 1.00 0.76 H new ATOM 0 H4' U B 4 5.158 11.487 -0.047 1.00 0.65 H new ATOM 0 H3' U B 4 7.182 13.027 0.794 1.00 0.67 H new ATOM 0 H2' U B 4 8.205 11.431 2.401 1.00 0.63 H new ATOM 0 HO2' U B 4 6.502 13.273 3.563 1.00 0.77 H new ATOM 0 H1' U B 4 5.359 10.945 3.399 1.00 0.58 H new ATOM 0 H3 U B 4 6.974 8.292 6.554 1.00 0.75 H new ATOM 0 H5 U B 4 8.419 6.582 3.002 1.00 0.72 H new ATOM 0 H6 U B 4 7.525 8.466 1.816 1.00 0.62 H new ATOM 123 P U B 5 4.880 14.347 0.760 1.00 0.85 P ATOM 124 OP1 U B 5 5.317 14.002 -0.619 1.00 1.03 O ATOM 125 OP2 U B 5 5.246 15.659 1.345 1.00 1.33 O ATOM 126 O5' U B 5 3.296 14.194 0.841 1.00 0.85 O ATOM 127 C5' U B 5 2.534 13.846 -0.311 1.00 0.75 C ATOM 128 C4' U B 5 1.230 13.203 0.099 1.00 0.55 C ATOM 129 O4' U B 5 1.507 12.145 1.057 1.00 0.43 O ATOM 130 C3' U B 5 0.221 14.131 0.771 1.00 0.55 C ATOM 131 O3' U B 5 -1.095 13.900 0.281 1.00 0.57 O ATOM 132 C2' U B 5 0.334 13.791 2.254 1.00 0.48 C ATOM 133 O2' U B 5 -0.895 13.946 2.934 1.00 0.53 O ATOM 134 C1' U B 5 0.674 12.307 2.184 1.00 0.37 C ATOM 135 N1 U B 5 1.364 11.808 3.382 1.00 0.37 N ATOM 136 C2 U B 5 0.628 11.046 4.271 1.00 0.37 C ATOM 137 O2 U B 5 -0.539 10.746 4.079 1.00 0.40 O ATOM 138 N3 U B 5 1.313 10.635 5.388 1.00 0.43 N ATOM 139 C4 U B 5 2.627 10.907 5.700 1.00 0.48 C ATOM 140 O4 U B 5 3.100 10.478 6.753 1.00 0.56 O ATOM 141 C5 U B 5 3.318 11.698 4.729 1.00 0.49 C ATOM 142 C6 U B 5 2.682 12.114 3.628 1.00 0.44 C ATOM 0 H5' U B 5 3.104 13.161 -0.939 1.00 0.75 H new ATOM 0 H5'' U B 5 2.337 14.737 -0.908 1.00 0.75 H new ATOM 0 H4' U B 5 0.787 12.858 -0.835 1.00 0.55 H new ATOM 0 H3' U B 5 0.422 15.184 0.572 1.00 0.55 H new ATOM 0 H2' U B 5 1.046 14.424 2.784 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.294 14.808 2.695 1.00 0.53 H new ATOM 0 H1' U B 5 -0.250 11.733 2.115 1.00 0.37 H new ATOM 0 H3 U B 5 0.794 10.068 6.058 1.00 0.43 H new ATOM 0 H5 U B 5 4.354 11.960 4.885 1.00 0.49 H new ATOM 0 H6 U B 5 3.222 12.711 2.908 1.00 0.44 H new ATOM 153 P A B 6 -2.123 15.128 0.142 1.00 0.96 P ATOM 154 OP1 A B 6 -3.495 14.572 0.026 1.00 1.91 O ATOM 155 OP2 A B 6 -1.601 16.023 -0.921 1.00 1.79 O ATOM 156 O5' A B 6 -2.015 15.892 1.536 1.00 1.70 O ATOM 157 C5' A B 6 -3.066 16.738 1.998 1.00 2.27 C ATOM 158 C4' A B 6 -2.505 18.068 2.441 1.00 2.74 C ATOM 159 O4' A B 6 -1.205 18.255 1.821 1.00 2.62 O ATOM 160 C3' A B 6 -3.324 19.288 2.036 1.00 3.36 C ATOM 161 O3' A B 6 -3.203 20.343 2.993 1.00 4.05 O ATOM 162 C2' A B 6 -2.716 19.677 0.691 1.00 3.45 C ATOM 163 O2' A B 6 -2.861 21.058 0.425 1.00 4.23 O ATOM 164 C1' A B 6 -1.243 19.360 0.940 1.00 3.13 C ATOM 165 N9 A B 6 -0.500 19.013 -0.272 1.00 3.07 N ATOM 166 C8 A B 6 -0.857 19.249 -1.577 1.00 3.68 C ATOM 167 N7 A B 6 0.021 18.823 -2.453 1.00 3.79 N ATOM 168 C5 A B 6 1.025 18.268 -1.672 1.00 3.15 C ATOM 169 C6 A B 6 2.242 17.644 -2.002 1.00 3.12 C ATOM 170 N6 A B 6 2.671 17.470 -3.253 1.00 3.76 N ATOM 171 N1 A B 6 3.015 17.202 -0.986 1.00 2.64 N ATOM 172 C2 A B 6 2.586 17.379 0.270 1.00 2.25 C ATOM 173 N3 A B 6 1.463 17.949 0.705 1.00 2.28 N ATOM 174 C4 A B 6 0.719 18.377 -0.329 1.00 2.69 C ATOM 0 H5' A B 6 -3.589 16.261 2.827 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.797 16.889 1.204 1.00 2.27 H new ATOM 0 H4' A B 6 -2.490 18.015 3.530 1.00 2.74 H new ATOM 0 H3' A B 6 -4.394 19.086 1.979 1.00 3.36 H new ATOM 0 H2' A B 6 -3.175 19.168 -0.156 1.00 3.45 H new ATOM 0 HO2' A B 6 -2.458 21.268 -0.443 1.00 4.23 H new ATOM 0 HO3' A B 6 -2.959 21.174 2.535 1.00 4.05 H new ATOM 0 H1' A B 6 -0.769 20.254 1.346 1.00 3.13 H new ATOM 0 H8 A B 6 -1.777 19.741 -1.856 1.00 3.68 H new ATOM 0 H61 A B 6 3.564 17.009 -3.426 1.00 3.76 H new ATOM 0 H62 A B 6 2.106 17.798 -4.036 1.00 3.76 H new ATOM 0 H2 A B 6 3.244 17.006 1.041 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 12.309 -10.634 -1.177 1.00 8.88 N ATOM 189 CA GLY A 510 13.522 -9.788 -1.055 1.00 8.14 C ATOM 190 C GLY A 510 14.713 -10.573 -0.546 1.00 7.17 C ATOM 191 O GLY A 510 15.293 -11.366 -1.287 1.00 7.17 O ATOM 0 HA2 GLY A 510 13.761 -9.355 -2.026 1.00 8.14 H new ATOM 0 HA3 GLY A 510 13.319 -8.958 -0.378 1.00 8.14 H new ATOM 197 N ALA A 511 15.079 -10.333 0.719 1.00 6.63 N ATOM 198 CA ALA A 511 16.161 -11.055 1.404 1.00 5.95 C ATOM 199 C ALA A 511 17.550 -10.675 0.883 1.00 5.06 C ATOM 200 O ALA A 511 18.435 -10.331 1.669 1.00 5.04 O ATOM 201 CB ALA A 511 15.954 -12.565 1.318 1.00 6.64 C ATOM 0 H ALA A 511 14.630 -9.627 1.302 1.00 6.63 H new ATOM 0 HA ALA A 511 16.118 -10.752 2.450 1.00 5.95 H new ATOM 0 HB1 ALA A 511 16.769 -13.074 1.833 1.00 6.64 H new ATOM 0 HB2 ALA A 511 15.007 -12.830 1.788 1.00 6.64 H new ATOM 0 HB3 ALA A 511 15.939 -12.871 0.272 1.00 6.64 H new ATOM 207 N MET A 512 17.736 -10.735 -0.433 1.00 4.71 N ATOM 208 CA MET A 512 19.039 -10.490 -1.045 1.00 4.26 C ATOM 209 C MET A 512 19.565 -9.100 -0.698 1.00 3.49 C ATOM 210 O MET A 512 20.561 -8.967 0.012 1.00 3.57 O ATOM 211 CB MET A 512 18.958 -10.657 -2.566 1.00 4.93 C ATOM 212 CG MET A 512 20.300 -10.511 -3.269 1.00 5.06 C ATOM 213 SD MET A 512 20.176 -10.703 -5.060 1.00 5.85 S ATOM 214 CE MET A 512 19.551 -12.378 -5.183 1.00 6.33 C ATOM 0 H MET A 512 16.996 -10.953 -1.100 1.00 4.71 H new ATOM 0 HA MET A 512 19.736 -11.226 -0.643 1.00 4.26 H new ATOM 0 HB2 MET A 512 18.543 -11.639 -2.793 1.00 4.93 H new ATOM 0 HB3 MET A 512 18.265 -9.918 -2.968 1.00 4.93 H new ATOM 0 HG2 MET A 512 20.720 -9.531 -3.041 1.00 5.06 H new ATOM 0 HG3 MET A 512 20.994 -11.254 -2.876 1.00 5.06 H new ATOM 0 HE1 MET A 512 19.767 -12.775 -6.175 1.00 6.33 H new ATOM 0 HE2 MET A 512 20.032 -13.002 -4.429 1.00 6.33 H new ATOM 0 HE3 MET A 512 18.473 -12.377 -5.020 1.00 6.33 H new ATOM 224 N ALA A 513 18.887 -8.071 -1.184 1.00 3.37 N ATOM 225 CA ALA A 513 19.297 -6.698 -0.920 1.00 3.26 C ATOM 226 C ALA A 513 18.159 -5.915 -0.287 1.00 2.63 C ATOM 227 O ALA A 513 18.177 -4.683 -0.246 1.00 3.17 O ATOM 228 CB ALA A 513 19.762 -6.025 -2.203 1.00 4.20 C ATOM 0 H ALA A 513 18.052 -8.159 -1.763 1.00 3.37 H new ATOM 0 HA ALA A 513 20.132 -6.716 -0.220 1.00 3.26 H new ATOM 0 HB1 ALA A 513 20.064 -5.000 -1.987 1.00 4.20 H new ATOM 0 HB2 ALA A 513 20.608 -6.574 -2.616 1.00 4.20 H new ATOM 0 HB3 ALA A 513 18.947 -6.018 -2.926 1.00 4.20 H new ATOM 234 N GLN A 514 17.171 -6.640 0.211 1.00 1.97 N ATOM 235 CA GLN A 514 16.006 -6.025 0.821 1.00 1.53 C ATOM 236 C GLN A 514 15.810 -6.512 2.249 1.00 1.41 C ATOM 237 O GLN A 514 15.652 -7.708 2.495 1.00 1.94 O ATOM 238 CB GLN A 514 14.752 -6.307 -0.007 1.00 1.48 C ATOM 239 CG GLN A 514 14.672 -5.483 -1.283 1.00 1.76 C ATOM 240 CD GLN A 514 14.360 -4.025 -1.008 1.00 2.06 C ATOM 241 OE1 GLN A 514 15.255 -3.210 -0.789 1.00 2.88 O ATOM 242 NE2 GLN A 514 13.079 -3.685 -1.021 1.00 2.17 N ATOM 0 H GLN A 514 17.154 -7.660 0.204 1.00 1.97 H new ATOM 0 HA GLN A 514 16.176 -4.949 0.848 1.00 1.53 H new ATOM 0 HB2 GLN A 514 14.727 -7.366 -0.265 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.871 -6.106 0.602 1.00 1.48 H new ATOM 0 HG2 GLN A 514 15.618 -5.555 -1.819 1.00 1.76 H new ATOM 0 HG3 GLN A 514 13.904 -5.900 -1.935 1.00 1.76 H new ATOM 0 HE21 GLN A 514 12.366 -4.390 -1.207 1.00 2.17 H new ATOM 0 HE22 GLN A 514 12.806 -2.718 -0.845 1.00 2.17 H new ATOM 251 N ARG A 515 15.844 -5.574 3.181 1.00 1.22 N ATOM 252 CA ARG A 515 15.571 -5.862 4.578 1.00 1.19 C ATOM 253 C ARG A 515 14.129 -5.495 4.898 1.00 1.13 C ATOM 254 O ARG A 515 13.780 -4.313 4.967 1.00 1.84 O ATOM 255 CB ARG A 515 16.532 -5.085 5.481 1.00 1.39 C ATOM 256 CG ARG A 515 17.989 -5.466 5.285 1.00 1.59 C ATOM 257 CD ARG A 515 18.902 -4.680 6.211 1.00 1.75 C ATOM 258 NE ARG A 515 20.312 -4.984 5.976 1.00 2.36 N ATOM 259 CZ ARG A 515 21.322 -4.288 6.498 1.00 3.12 C ATOM 260 NH1 ARG A 515 21.080 -3.268 7.312 1.00 3.44 N ATOM 261 NH2 ARG A 515 22.574 -4.619 6.215 1.00 4.00 N ATOM 0 H ARG A 515 16.061 -4.596 2.991 1.00 1.22 H new ATOM 0 HA ARG A 515 15.719 -6.927 4.760 1.00 1.19 H new ATOM 0 HB2 ARG A 515 16.415 -4.018 5.290 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.257 -5.255 6.522 1.00 1.39 H new ATOM 0 HG2 ARG A 515 18.115 -6.533 5.469 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.277 -5.285 4.249 1.00 1.59 H new ATOM 0 HD2 ARG A 515 18.732 -3.613 6.068 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.650 -4.907 7.247 1.00 1.75 H new ATOM 0 HE ARG A 515 20.537 -5.777 5.376 1.00 2.36 H new ATOM 0 HH11 ARG A 515 20.119 -3.014 7.540 1.00 3.44 H new ATOM 0 HH12 ARG A 515 21.855 -2.738 7.710 1.00 3.44 H new ATOM 0 HH21 ARG A 515 22.766 -5.407 5.597 1.00 4.00 H new ATOM 0 HH22 ARG A 515 23.346 -4.085 6.615 1.00 4.00 H new ATOM 275 N LYS A 516 13.291 -6.511 5.049 1.00 0.82 N ATOM 276 CA LYS A 516 11.871 -6.310 5.292 1.00 0.79 C ATOM 277 C LYS A 516 11.357 -7.309 6.323 1.00 0.90 C ATOM 278 O LYS A 516 10.359 -7.992 6.097 1.00 1.11 O ATOM 279 CB LYS A 516 11.082 -6.452 3.982 1.00 0.97 C ATOM 280 CG LYS A 516 11.404 -5.379 2.950 1.00 1.06 C ATOM 281 CD LYS A 516 10.913 -4.012 3.400 1.00 1.07 C ATOM 282 CE LYS A 516 11.380 -2.905 2.469 1.00 1.24 C ATOM 283 NZ LYS A 516 12.842 -2.649 2.586 1.00 1.89 N ATOM 0 H LYS A 516 13.574 -7.490 5.007 1.00 0.82 H new ATOM 0 HA LYS A 516 11.728 -5.303 5.683 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.287 -7.431 3.550 1.00 0.97 H new ATOM 0 HB3 LYS A 516 10.016 -6.419 4.206 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.481 -5.344 2.783 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.942 -5.638 1.997 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.824 -4.014 3.443 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.272 -3.812 4.410 1.00 1.07 H new ATOM 0 HE2 LYS A 516 11.141 -3.174 1.440 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.834 -1.989 2.694 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 13.005 -1.635 2.747 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 13.227 -3.193 3.385 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 13.317 -2.940 1.708 1.00 1.89 H new ATOM 297 N GLY A 517 12.048 -7.387 7.451 1.00 0.96 N ATOM 298 CA GLY A 517 11.654 -8.303 8.505 1.00 1.13 C ATOM 299 C GLY A 517 11.179 -7.576 9.747 1.00 1.25 C ATOM 300 O GLY A 517 10.050 -7.772 10.196 1.00 2.04 O ATOM 0 H GLY A 517 12.878 -6.831 7.657 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.859 -8.953 8.140 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.498 -8.944 8.761 1.00 1.13 H new ATOM 304 N ALA A 518 12.038 -6.728 10.298 1.00 1.01 N ATOM 305 CA ALA A 518 11.698 -5.957 11.488 1.00 1.14 C ATOM 306 C ALA A 518 11.059 -4.632 11.105 1.00 1.08 C ATOM 307 O ALA A 518 10.449 -3.946 11.931 1.00 1.75 O ATOM 308 CB ALA A 518 12.937 -5.728 12.339 1.00 1.41 C ATOM 0 H ALA A 518 12.977 -6.556 9.939 1.00 1.01 H new ATOM 0 HA ALA A 518 10.975 -6.525 12.073 1.00 1.14 H new ATOM 0 HB1 ALA A 518 12.669 -5.151 13.224 1.00 1.41 H new ATOM 0 HB2 ALA A 518 13.352 -6.689 12.644 1.00 1.41 H new ATOM 0 HB3 ALA A 518 13.680 -5.180 11.760 1.00 1.41 H new ATOM 314 N GLY A 519 11.208 -4.293 9.845 1.00 0.67 N ATOM 315 CA GLY A 519 10.622 -3.087 9.305 1.00 0.60 C ATOM 316 C GLY A 519 10.286 -3.268 7.845 1.00 0.50 C ATOM 317 O GLY A 519 11.139 -3.691 7.064 1.00 0.51 O ATOM 0 H GLY A 519 11.737 -4.843 9.168 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.720 -2.833 9.863 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.315 -2.254 9.424 1.00 0.60 H new ATOM 321 N ARG A 520 9.053 -2.983 7.464 1.00 0.46 N ATOM 322 CA ARG A 520 8.649 -3.193 6.088 1.00 0.40 C ATOM 323 C ARG A 520 8.058 -1.938 5.474 1.00 0.34 C ATOM 324 O ARG A 520 7.222 -1.262 6.073 1.00 0.36 O ATOM 325 CB ARG A 520 7.623 -4.322 6.030 1.00 0.44 C ATOM 326 CG ARG A 520 8.145 -5.635 6.583 1.00 0.56 C ATOM 327 CD ARG A 520 7.018 -6.514 7.082 1.00 0.64 C ATOM 328 NE ARG A 520 6.263 -5.867 8.151 1.00 0.93 N ATOM 329 CZ ARG A 520 6.383 -6.165 9.444 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.203 -7.129 9.842 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.674 -5.499 10.342 1.00 2.22 N ATOM 0 H ARG A 520 8.327 -2.612 8.077 1.00 0.46 H new ATOM 0 HA ARG A 520 9.537 -3.457 5.513 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.736 -4.027 6.590 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.313 -4.469 4.996 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.703 -6.161 5.808 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.841 -5.437 7.398 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.348 -6.752 6.256 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.425 -7.458 7.444 1.00 0.64 H new ATOM 0 HE ARG A 520 5.599 -5.138 7.890 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.749 -7.650 9.156 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.288 -7.349 10.834 1.00 2.13 H new ATOM 0 HH21 ARG A 520 5.038 -4.760 10.043 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.764 -5.725 11.333 1.00 2.22 H new ATOM 345 N VAL A 521 8.514 -1.640 4.272 1.00 0.29 N ATOM 346 CA VAL A 521 7.919 -0.606 3.449 1.00 0.24 C ATOM 347 C VAL A 521 7.368 -1.218 2.174 1.00 0.21 C ATOM 348 O VAL A 521 8.111 -1.832 1.401 1.00 0.23 O ATOM 349 CB VAL A 521 8.916 0.516 3.117 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.288 1.567 2.230 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.427 1.149 4.389 1.00 0.32 C ATOM 0 H VAL A 521 9.309 -2.110 3.839 1.00 0.29 H new ATOM 0 HA VAL A 521 7.107 -0.155 4.019 1.00 0.24 H new ATOM 0 HB VAL A 521 9.751 0.073 2.574 1.00 0.26 H new ATOM 0 HG11 VAL A 521 9.020 2.346 2.014 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.961 1.108 1.297 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.430 2.006 2.738 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.133 1.942 4.143 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.591 1.568 4.948 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.927 0.394 4.996 1.00 0.32 H new ATOM 361 N VAL A 522 6.081 -1.060 1.958 1.00 0.20 N ATOM 362 CA VAL A 522 5.441 -1.584 0.770 1.00 0.18 C ATOM 363 C VAL A 522 4.810 -0.427 0.015 1.00 0.18 C ATOM 364 O VAL A 522 3.996 0.307 0.577 1.00 0.19 O ATOM 365 CB VAL A 522 4.368 -2.632 1.133 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.817 -3.304 -0.112 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.930 -3.666 2.096 1.00 0.22 C ATOM 0 H VAL A 522 5.452 -0.569 2.594 1.00 0.20 H new ATOM 0 HA VAL A 522 6.186 -2.079 0.147 1.00 0.18 H new ATOM 0 HB VAL A 522 3.546 -2.113 1.627 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.063 -4.037 0.174 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.365 -2.554 -0.761 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.626 -3.804 -0.644 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.157 -4.395 2.339 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.775 -4.174 1.632 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.261 -3.171 3.009 1.00 0.22 H new ATOM 377 N HIS A 523 5.190 -0.231 -1.236 1.00 0.18 N ATOM 378 CA HIS A 523 4.711 0.906 -1.996 1.00 0.18 C ATOM 379 C HIS A 523 3.669 0.467 -3.013 1.00 0.17 C ATOM 380 O HIS A 523 3.878 -0.481 -3.772 1.00 0.18 O ATOM 381 CB HIS A 523 5.888 1.587 -2.708 1.00 0.20 C ATOM 382 CG HIS A 523 5.523 2.799 -3.514 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.465 4.110 -3.173 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 5.210 2.742 -4.852 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 5.127 4.814 -4.304 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 4.979 3.962 -5.299 1.00 0.37 N flip ATOM 0 H HIS A 523 5.827 -0.844 -1.744 1.00 0.18 H new ATOM 0 HA HIS A 523 4.247 1.615 -1.311 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.628 1.875 -1.961 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.365 0.861 -3.366 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.640 4.502 -2.248 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.161 1.840 -5.444 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.003 5.885 -4.367 1.00 0.44 H new ATOM 395 N ILE A 524 2.564 1.180 -3.024 1.00 0.16 N ATOM 396 CA ILE A 524 1.484 0.921 -3.947 1.00 0.16 C ATOM 397 C ILE A 524 1.403 2.076 -4.931 1.00 0.17 C ATOM 398 O ILE A 524 1.575 3.232 -4.551 1.00 0.19 O ATOM 399 CB ILE A 524 0.146 0.765 -3.196 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.296 -0.292 -2.096 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.979 0.401 -4.159 1.00 0.18 C ATOM 402 CD1 ILE A 524 -0.978 -0.589 -1.341 1.00 0.18 C ATOM 0 H ILE A 524 2.390 1.959 -2.389 1.00 0.16 H new ATOM 0 HA ILE A 524 1.676 -0.011 -4.479 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.116 1.717 -2.735 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.663 -1.216 -2.544 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.054 0.042 -1.388 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.912 0.297 -3.606 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.087 1.187 -4.907 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.743 -0.541 -4.654 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.783 -1.347 -0.582 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.337 0.321 -0.861 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.735 -0.956 -2.034 1.00 0.18 H new ATOM 414 N CYS A 525 1.181 1.778 -6.190 1.00 0.17 N ATOM 415 CA CYS A 525 1.178 2.815 -7.200 1.00 0.18 C ATOM 416 C CYS A 525 0.089 2.588 -8.230 1.00 0.15 C ATOM 417 O CYS A 525 -0.494 1.502 -8.298 1.00 0.16 O ATOM 418 CB CYS A 525 2.550 2.900 -7.872 1.00 0.29 C ATOM 419 SG CYS A 525 3.340 1.298 -8.164 1.00 1.17 S ATOM 0 H CYS A 525 1.002 0.836 -6.539 1.00 0.17 H new ATOM 0 HA CYS A 525 0.967 3.764 -6.707 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.443 3.418 -8.825 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.208 3.508 -7.251 1.00 0.29 H new ATOM 0 HG CYS A 525 2.828 0.410 -7.365 1.00 1.17 H new ATOM 425 N ASN A 526 -0.179 3.649 -8.992 1.00 0.15 N ATOM 426 CA ASN A 526 -1.144 3.651 -10.100 1.00 0.16 C ATOM 427 C ASN A 526 -2.535 3.952 -9.579 1.00 0.15 C ATOM 428 O ASN A 526 -3.539 3.566 -10.173 1.00 0.18 O ATOM 429 CB ASN A 526 -1.145 2.336 -10.905 1.00 0.19 C ATOM 430 CG ASN A 526 0.193 2.029 -11.553 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.991 2.925 -11.827 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.434 0.757 -11.825 1.00 0.26 N ATOM 0 H ASN A 526 0.277 4.551 -8.856 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.831 4.436 -10.789 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.418 1.513 -10.244 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.911 2.392 -11.678 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.308 0.489 -12.278 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.254 0.044 -11.582 1.00 0.26 H new ATOM 439 N LEU A 527 -2.579 4.676 -8.471 1.00 0.15 N ATOM 440 CA LEU A 527 -3.835 5.077 -7.867 1.00 0.17 C ATOM 441 C LEU A 527 -4.288 6.383 -8.500 1.00 0.22 C ATOM 442 O LEU A 527 -3.541 7.353 -8.502 1.00 0.25 O ATOM 443 CB LEU A 527 -3.656 5.264 -6.355 1.00 0.15 C ATOM 444 CG LEU A 527 -3.442 3.984 -5.545 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.010 4.318 -4.127 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.719 3.165 -5.513 1.00 0.21 C ATOM 0 H LEU A 527 -1.751 4.999 -7.971 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.586 4.305 -8.035 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.804 5.923 -6.188 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.536 5.775 -5.965 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.656 3.401 -6.024 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.862 3.396 -3.565 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.076 4.880 -4.154 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.781 4.918 -3.644 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.554 2.257 -4.934 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.515 3.750 -5.052 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.006 2.899 -6.530 1.00 0.21 H new ATOM 458 N PRO A 528 -5.496 6.436 -9.068 1.00 0.26 N ATOM 459 CA PRO A 528 -6.000 7.658 -9.691 1.00 0.33 C ATOM 460 C PRO A 528 -6.360 8.714 -8.653 1.00 0.34 C ATOM 461 O PRO A 528 -6.996 8.411 -7.642 1.00 0.32 O ATOM 462 CB PRO A 528 -7.262 7.201 -10.436 1.00 0.38 C ATOM 463 CG PRO A 528 -7.253 5.707 -10.387 1.00 0.37 C ATOM 464 CD PRO A 528 -6.450 5.327 -9.178 1.00 0.29 C ATOM 0 HA PRO A 528 -5.255 8.118 -10.340 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.160 7.601 -9.964 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.257 7.557 -11.466 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.268 5.315 -10.318 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.811 5.291 -11.293 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.073 5.239 -8.288 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.946 4.370 -9.310 1.00 0.29 H new ATOM 472 N GLU A 529 -5.954 9.951 -8.910 1.00 0.41 N ATOM 473 CA GLU A 529 -6.287 11.064 -8.035 1.00 0.46 C ATOM 474 C GLU A 529 -7.793 11.283 -8.053 1.00 0.47 C ATOM 475 O GLU A 529 -8.422 11.199 -9.108 1.00 0.53 O ATOM 476 CB GLU A 529 -5.553 12.325 -8.481 1.00 0.57 C ATOM 477 CG GLU A 529 -5.816 13.536 -7.600 1.00 0.66 C ATOM 478 CD GLU A 529 -5.150 14.791 -8.118 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.756 15.498 -8.945 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.013 15.080 -7.698 1.00 1.41 O ATOM 0 H GLU A 529 -5.391 10.208 -9.721 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.973 10.833 -7.017 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.482 12.124 -8.495 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.846 12.562 -9.504 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.891 13.703 -7.530 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.459 13.330 -6.591 1.00 0.66 H new ATOM 487 N GLY A 530 -8.375 11.548 -6.895 1.00 0.46 N ATOM 488 CA GLY A 530 -9.817 11.603 -6.808 1.00 0.48 C ATOM 489 C GLY A 530 -10.394 10.233 -6.530 1.00 0.43 C ATOM 490 O GLY A 530 -11.609 10.044 -6.521 1.00 0.46 O ATOM 0 H GLY A 530 -7.880 11.725 -6.021 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -10.111 12.293 -6.017 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.227 11.992 -7.740 1.00 0.48 H new ATOM 494 N SER A 531 -9.508 9.270 -6.315 1.00 0.37 N ATOM 495 CA SER A 531 -9.895 7.884 -6.106 1.00 0.35 C ATOM 496 C SER A 531 -8.844 7.155 -5.272 1.00 0.28 C ATOM 497 O SER A 531 -8.907 5.937 -5.094 1.00 0.30 O ATOM 498 CB SER A 531 -10.088 7.182 -7.446 1.00 0.40 C ATOM 499 OG SER A 531 -11.240 7.671 -8.114 1.00 1.08 O ATOM 0 H SER A 531 -8.501 9.429 -6.281 1.00 0.37 H new ATOM 0 HA SER A 531 -10.840 7.866 -5.563 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.208 7.335 -8.071 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.183 6.108 -7.288 1.00 0.40 H new ATOM 0 HG SER A 531 -11.613 8.426 -7.612 1.00 1.08 H new ATOM 505 N CYS A 532 -7.882 7.910 -4.762 1.00 0.24 N ATOM 506 CA CYS A 532 -6.877 7.365 -3.869 1.00 0.20 C ATOM 507 C CYS A 532 -7.402 7.461 -2.453 1.00 0.18 C ATOM 508 O CYS A 532 -7.038 8.370 -1.712 1.00 0.21 O ATOM 509 CB CYS A 532 -5.562 8.144 -3.967 1.00 0.21 C ATOM 510 SG CYS A 532 -4.865 8.251 -5.626 1.00 0.25 S ATOM 0 H CYS A 532 -7.778 8.906 -4.954 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.679 6.330 -4.149 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.726 9.154 -3.592 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.829 7.675 -3.310 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.749 7.858 -6.494 1.00 0.25 H new ATOM 516 N THR A 533 -8.276 6.553 -2.077 1.00 0.17 N ATOM 517 CA THR A 533 -8.877 6.641 -0.769 1.00 0.18 C ATOM 518 C THR A 533 -8.109 5.765 0.192 1.00 0.17 C ATOM 519 O THR A 533 -7.493 4.779 -0.216 1.00 0.18 O ATOM 520 CB THR A 533 -10.349 6.192 -0.789 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.422 4.776 -0.986 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.120 6.902 -1.893 1.00 0.28 C ATOM 0 H THR A 533 -8.580 5.763 -2.646 1.00 0.17 H new ATOM 0 HA THR A 533 -8.842 7.683 -0.452 1.00 0.18 H new ATOM 0 HB THR A 533 -10.799 6.452 0.169 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.685 4.588 -1.911 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.157 6.567 -1.886 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.085 7.979 -1.727 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.670 6.669 -2.858 1.00 0.28 H new ATOM 530 N GLU A 534 -8.141 6.117 1.462 1.00 0.19 N ATOM 531 CA GLU A 534 -7.505 5.311 2.480 1.00 0.20 C ATOM 532 C GLU A 534 -8.195 3.968 2.539 1.00 0.19 C ATOM 533 O GLU A 534 -7.567 2.938 2.776 1.00 0.20 O ATOM 534 CB GLU A 534 -7.536 6.004 3.842 1.00 0.23 C ATOM 535 CG GLU A 534 -6.974 7.429 3.835 1.00 0.27 C ATOM 536 CD GLU A 534 -7.997 8.454 3.389 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.817 8.881 4.226 1.00 1.17 O ATOM 538 OE2 GLU A 534 -7.993 8.839 2.202 1.00 1.64 O ATOM 0 H GLU A 534 -8.602 6.957 1.812 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.455 5.171 2.221 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.566 6.033 4.199 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.969 5.405 4.555 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.623 7.682 4.835 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -6.109 7.472 3.173 1.00 0.27 H new ATOM 545 N ASN A 535 -9.495 3.996 2.291 1.00 0.20 N ATOM 546 CA ASN A 535 -10.301 2.801 2.388 1.00 0.22 C ATOM 547 C ASN A 535 -9.879 1.772 1.348 1.00 0.21 C ATOM 548 O ASN A 535 -9.567 0.657 1.708 1.00 0.21 O ATOM 549 CB ASN A 535 -11.783 3.130 2.207 1.00 0.27 C ATOM 550 CG ASN A 535 -12.682 1.963 2.570 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.363 1.170 3.456 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.811 1.847 1.891 1.00 1.38 N ATOM 0 H ASN A 535 -10.009 4.835 2.022 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.147 2.381 3.382 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -12.040 3.990 2.826 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.965 3.417 1.171 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.452 1.080 2.095 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -14.041 2.524 1.164 1.00 1.38 H new ATOM 559 N ASP A 536 -9.762 2.171 0.080 1.00 0.21 N ATOM 560 CA ASP A 536 -9.537 1.200 -1.003 1.00 0.22 C ATOM 561 C ASP A 536 -8.139 0.596 -0.927 1.00 0.17 C ATOM 562 O ASP A 536 -7.956 -0.615 -1.060 1.00 0.16 O ATOM 563 CB ASP A 536 -9.742 1.845 -2.379 1.00 0.27 C ATOM 564 CG ASP A 536 -11.191 2.194 -2.660 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.037 1.277 -2.690 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.492 3.389 -2.872 1.00 0.61 O ATOM 0 H ASP A 536 -9.818 3.143 -0.224 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.270 0.404 -0.873 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.137 2.749 -2.444 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.382 1.164 -3.150 1.00 0.27 H new ATOM 571 N VAL A 537 -7.167 1.462 -0.705 1.00 0.15 N ATOM 572 CA VAL A 537 -5.768 1.055 -0.627 1.00 0.13 C ATOM 573 C VAL A 537 -5.586 0.044 0.509 1.00 0.12 C ATOM 574 O VAL A 537 -4.993 -1.032 0.341 1.00 0.13 O ATOM 575 CB VAL A 537 -4.851 2.282 -0.412 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.381 1.901 -0.454 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.142 3.337 -1.462 1.00 0.13 C ATOM 0 H VAL A 537 -7.319 2.462 -0.574 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.486 0.585 -1.570 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.062 2.684 0.579 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.770 2.790 -0.299 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.171 1.175 0.331 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.146 1.464 -1.425 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.492 4.197 -1.303 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.960 2.923 -2.454 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.183 3.650 -1.385 1.00 0.13 H new ATOM 587 N ILE A 538 -6.135 0.386 1.659 1.00 0.12 N ATOM 588 CA ILE A 538 -6.111 -0.495 2.807 1.00 0.12 C ATOM 589 C ILE A 538 -6.997 -1.731 2.597 1.00 0.12 C ATOM 590 O ILE A 538 -6.685 -2.810 3.098 1.00 0.12 O ATOM 591 CB ILE A 538 -6.489 0.243 4.097 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.437 1.296 4.428 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.619 -0.740 5.243 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.745 2.058 5.692 1.00 0.23 C ATOM 0 H ILE A 538 -6.606 1.276 1.822 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.084 -0.843 2.916 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.448 0.739 3.948 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.466 0.812 4.529 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.359 1.997 3.597 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.888 -0.204 6.153 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.394 -1.470 5.010 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.669 -1.254 5.391 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.961 2.792 5.874 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.702 2.568 5.585 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.795 1.365 6.532 1.00 0.23 H new ATOM 606 N ASN A 539 -8.109 -1.580 1.869 1.00 0.12 N ATOM 607 CA ASN A 539 -8.979 -2.721 1.561 1.00 0.14 C ATOM 608 C ASN A 539 -8.197 -3.788 0.832 1.00 0.15 C ATOM 609 O ASN A 539 -8.552 -4.959 0.876 1.00 0.17 O ATOM 610 CB ASN A 539 -10.181 -2.355 0.672 1.00 0.17 C ATOM 611 CG ASN A 539 -11.230 -1.471 1.325 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.928 -0.727 0.634 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.358 -1.535 2.640 1.00 0.21 N ATOM 0 H ASN A 539 -8.426 -0.689 1.486 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.352 -3.071 2.524 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.811 -1.851 -0.221 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.661 -3.276 0.342 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.052 -0.957 3.114 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.763 -2.163 3.180 1.00 0.21 H new ATOM 620 N LEU A 540 -7.166 -3.378 0.117 1.00 0.15 N ATOM 621 CA LEU A 540 -6.285 -4.329 -0.522 1.00 0.17 C ATOM 622 C LEU A 540 -5.363 -4.961 0.515 1.00 0.16 C ATOM 623 O LEU A 540 -5.123 -6.166 0.493 1.00 0.19 O ATOM 624 CB LEU A 540 -5.445 -3.621 -1.581 1.00 0.19 C ATOM 625 CG LEU A 540 -6.232 -2.964 -2.713 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.280 -2.342 -3.714 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.151 -3.969 -3.394 1.00 0.24 C ATOM 0 H LEU A 540 -6.922 -2.399 -0.034 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.885 -5.107 -0.993 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.842 -2.857 -1.090 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.754 -4.344 -2.014 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.857 -2.178 -2.289 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.850 -1.876 -4.518 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.671 -1.587 -3.216 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.633 -3.115 -4.129 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.700 -3.475 -4.196 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.556 -4.783 -3.809 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.856 -4.369 -2.665 1.00 0.24 H new ATOM 639 N GLY A 541 -4.857 -4.129 1.426 1.00 0.14 N ATOM 640 CA GLY A 541 -3.945 -4.614 2.453 1.00 0.16 C ATOM 641 C GLY A 541 -4.553 -5.563 3.475 1.00 0.15 C ATOM 642 O GLY A 541 -4.056 -6.671 3.667 1.00 0.19 O ATOM 0 H GLY A 541 -5.061 -3.131 1.471 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.112 -5.119 1.965 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.531 -3.755 2.982 1.00 0.16 H new ATOM 646 N LEU A 542 -5.648 -5.156 4.092 1.00 0.13 N ATOM 647 CA LEU A 542 -6.184 -5.860 5.264 1.00 0.14 C ATOM 648 C LEU A 542 -6.477 -7.351 5.037 1.00 0.16 C ATOM 649 O LEU A 542 -6.087 -8.177 5.861 1.00 0.20 O ATOM 650 CB LEU A 542 -7.427 -5.152 5.787 1.00 0.13 C ATOM 651 CG LEU A 542 -7.152 -3.896 6.608 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.440 -3.133 6.856 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.490 -4.270 7.926 1.00 0.16 C ATOM 0 H LEU A 542 -6.191 -4.341 3.807 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.390 -5.828 6.010 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.058 -4.884 4.940 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -7.996 -5.852 6.399 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.475 -3.251 6.048 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.226 -2.240 7.443 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.881 -2.844 5.902 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.139 -3.767 7.401 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.297 -3.367 8.505 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.149 -4.929 8.490 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.548 -4.782 7.728 1.00 0.16 H new ATOM 665 N PRO A 543 -7.174 -7.736 3.951 1.00 0.17 N ATOM 666 CA PRO A 543 -7.533 -9.139 3.715 1.00 0.19 C ATOM 667 C PRO A 543 -6.322 -10.068 3.589 1.00 0.20 C ATOM 668 O PRO A 543 -6.434 -11.268 3.841 1.00 0.23 O ATOM 669 CB PRO A 543 -8.333 -9.092 2.407 1.00 0.22 C ATOM 670 CG PRO A 543 -8.829 -7.691 2.340 1.00 0.21 C ATOM 671 CD PRO A 543 -7.703 -6.870 2.889 1.00 0.17 C ATOM 0 HA PRO A 543 -8.091 -9.552 4.555 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.708 -9.336 1.548 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.156 -9.807 2.416 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.068 -7.403 1.316 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.738 -7.563 2.928 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.951 -6.651 2.130 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.050 -5.913 3.279 1.00 0.17 H new ATOM 679 N PHE A 544 -5.164 -9.536 3.206 1.00 0.20 N ATOM 680 CA PHE A 544 -3.962 -10.360 3.124 1.00 0.22 C ATOM 681 C PHE A 544 -3.085 -10.185 4.363 1.00 0.22 C ATOM 682 O PHE A 544 -2.195 -11.002 4.620 1.00 0.28 O ATOM 683 CB PHE A 544 -3.151 -10.016 1.872 1.00 0.23 C ATOM 684 CG PHE A 544 -3.895 -10.206 0.582 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.135 -11.474 0.080 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.348 -9.110 -0.131 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.816 -11.644 -1.110 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.029 -9.273 -1.320 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.264 -10.541 -1.811 1.00 0.33 C ATOM 0 H PHE A 544 -5.033 -8.557 2.952 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.284 -11.400 3.067 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.823 -8.979 1.939 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.253 -10.633 1.854 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.786 -12.339 0.624 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.166 -8.115 0.248 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.998 -12.638 -1.492 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.378 -8.409 -1.866 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.797 -10.671 -2.741 1.00 0.33 H new ATOM 699 N GLY A 545 -3.341 -9.134 5.132 1.00 0.19 N ATOM 700 CA GLY A 545 -2.547 -8.873 6.317 1.00 0.21 C ATOM 701 C GLY A 545 -2.976 -7.613 7.041 1.00 0.21 C ATOM 702 O GLY A 545 -3.505 -6.688 6.430 1.00 0.44 O ATOM 0 H GLY A 545 -4.084 -8.458 4.956 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.625 -9.722 6.996 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.498 -8.786 6.035 1.00 0.21 H new ATOM 706 N LYS A 546 -2.745 -7.577 8.345 1.00 0.27 N ATOM 707 CA LYS A 546 -3.141 -6.439 9.164 1.00 0.25 C ATOM 708 C LYS A 546 -2.364 -5.182 8.777 1.00 0.20 C ATOM 709 O LYS A 546 -1.132 -5.171 8.775 1.00 0.24 O ATOM 710 CB LYS A 546 -2.913 -6.761 10.645 1.00 0.35 C ATOM 711 CG LYS A 546 -3.306 -5.638 11.598 1.00 0.41 C ATOM 712 CD LYS A 546 -2.989 -6.006 13.041 1.00 0.92 C ATOM 713 CE LYS A 546 -3.361 -4.892 14.011 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.827 -4.656 14.063 1.00 2.07 N ATOM 0 H LYS A 546 -2.283 -8.326 8.861 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.200 -6.247 8.992 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.481 -7.655 10.902 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.860 -6.998 10.796 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.775 -4.725 11.327 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.371 -5.429 11.499 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -3.527 -6.915 13.310 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -1.926 -6.226 13.133 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.000 -5.146 15.008 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.857 -3.972 13.715 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -5.044 -3.988 14.830 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -5.147 -4.258 13.157 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -5.318 -5.556 14.239 1.00 2.07 H new ATOM 728 N VAL A 547 -3.104 -4.134 8.441 1.00 0.16 N ATOM 729 CA VAL A 547 -2.523 -2.849 8.103 1.00 0.15 C ATOM 730 C VAL A 547 -2.272 -2.034 9.361 1.00 0.18 C ATOM 731 O VAL A 547 -3.208 -1.671 10.077 1.00 0.20 O ATOM 732 CB VAL A 547 -3.461 -2.069 7.154 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.953 -0.660 6.885 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.628 -2.829 5.850 1.00 0.14 C ATOM 0 H VAL A 547 -4.123 -4.154 8.396 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.573 -3.024 7.599 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.430 -1.977 7.645 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.642 -0.147 6.214 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.886 -0.112 7.825 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.967 -0.711 6.424 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.290 -2.273 5.187 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.656 -2.951 5.373 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.058 -3.810 6.053 1.00 0.14 H new ATOM 744 N THR A 548 -1.009 -1.768 9.644 1.00 0.20 N ATOM 745 CA THR A 548 -0.655 -0.963 10.796 1.00 0.23 C ATOM 746 C THR A 548 -0.496 0.507 10.422 1.00 0.23 C ATOM 747 O THR A 548 -0.894 1.391 11.180 1.00 0.27 O ATOM 748 CB THR A 548 0.637 -1.491 11.450 1.00 0.27 C ATOM 749 OG1 THR A 548 1.647 -1.679 10.449 1.00 0.26 O ATOM 750 CG2 THR A 548 0.383 -2.804 12.173 1.00 0.31 C ATOM 0 H THR A 548 -0.216 -2.097 9.094 1.00 0.20 H new ATOM 0 HA THR A 548 -1.470 -1.040 11.515 1.00 0.23 H new ATOM 0 HB THR A 548 0.977 -0.755 12.179 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.470 -1.225 10.725 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.310 -3.155 12.626 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.366 -2.652 12.950 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.022 -3.547 11.462 1.00 0.31 H new ATOM 758 N ASN A 549 0.029 0.759 9.230 1.00 0.20 N ATOM 759 CA ASN A 549 0.211 2.124 8.741 1.00 0.21 C ATOM 760 C ASN A 549 -0.046 2.197 7.245 1.00 0.18 C ATOM 761 O ASN A 549 -0.049 1.183 6.553 1.00 0.20 O ATOM 762 CB ASN A 549 1.624 2.658 9.035 1.00 0.26 C ATOM 763 CG ASN A 549 1.856 3.030 10.485 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.929 3.339 11.228 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.109 3.031 10.890 1.00 0.81 N ATOM 0 H ASN A 549 0.338 0.036 8.581 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.510 2.746 9.271 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.354 1.903 8.744 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.806 3.534 8.413 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.335 3.294 11.849 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.854 2.768 10.245 1.00 0.81 H new ATOM 772 N TYR A 550 -0.278 3.405 6.761 1.00 0.17 N ATOM 773 CA TYR A 550 -0.541 3.645 5.353 1.00 0.17 C ATOM 774 C TYR A 550 -0.312 5.117 5.043 1.00 0.17 C ATOM 775 O TYR A 550 -0.473 5.965 5.922 1.00 0.17 O ATOM 776 CB TYR A 550 -1.978 3.244 5.011 1.00 0.17 C ATOM 777 CG TYR A 550 -3.018 3.953 5.848 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.882 4.865 5.272 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.127 3.720 7.216 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.828 5.523 6.031 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.071 4.374 7.978 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.919 5.276 7.378 1.00 0.25 C ATOM 783 OH TYR A 550 -5.872 5.925 8.126 1.00 0.31 O ATOM 0 H TYR A 550 -0.289 4.248 7.335 1.00 0.17 H new ATOM 0 HA TYR A 550 0.136 3.042 4.748 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.165 3.455 3.958 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.088 2.168 5.144 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.816 5.066 4.213 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.460 3.014 7.689 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.496 6.232 5.565 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.144 4.180 9.038 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.037 5.424 8.952 1.00 0.31 H new ATOM 793 N ILE A 551 0.050 5.424 3.808 1.00 0.18 N ATOM 794 CA ILE A 551 0.369 6.789 3.415 1.00 0.16 C ATOM 795 C ILE A 551 -0.186 7.028 2.025 1.00 0.17 C ATOM 796 O ILE A 551 0.150 6.296 1.100 1.00 0.20 O ATOM 797 CB ILE A 551 1.897 7.019 3.372 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.555 6.579 4.685 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.214 8.479 3.089 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.066 6.669 4.674 1.00 0.20 C ATOM 0 H ILE A 551 0.131 4.741 3.054 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.067 7.471 4.145 1.00 0.16 H new ATOM 0 HB ILE A 551 2.303 6.412 2.563 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.170 7.195 5.497 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.264 5.551 4.899 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.295 8.618 3.063 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.788 8.764 2.127 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.786 9.103 3.874 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.457 6.341 5.637 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.463 6.030 3.885 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.368 7.700 4.492 1.00 0.20 H new ATOM 812 N LEU A 552 -1.026 8.028 1.860 1.00 0.16 N ATOM 813 CA LEU A 552 -1.641 8.255 0.566 1.00 0.19 C ATOM 814 C LEU A 552 -1.068 9.488 -0.100 1.00 0.19 C ATOM 815 O LEU A 552 -1.192 10.588 0.425 1.00 0.26 O ATOM 816 CB LEU A 552 -3.153 8.390 0.681 1.00 0.27 C ATOM 817 CG LEU A 552 -3.907 7.120 1.026 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.378 7.367 0.826 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.442 5.948 0.181 1.00 0.42 C ATOM 0 H LEU A 552 -1.296 8.687 2.590 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.418 7.384 -0.050 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.375 9.139 1.441 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.537 8.772 -0.265 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.710 6.860 2.066 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.935 6.463 1.070 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.702 8.180 1.476 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.563 7.638 -0.213 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.004 5.056 0.456 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.608 6.171 -0.873 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.380 5.775 0.352 1.00 0.42 H new ATOM 831 N MET A 553 -0.487 9.326 -1.275 1.00 0.18 N ATOM 832 CA MET A 553 0.062 10.472 -1.974 1.00 0.26 C ATOM 833 C MET A 553 -0.787 10.766 -3.193 1.00 0.26 C ATOM 834 O MET A 553 -0.472 10.352 -4.309 1.00 0.25 O ATOM 835 CB MET A 553 1.510 10.222 -2.398 1.00 0.35 C ATOM 836 CG MET A 553 2.469 10.023 -1.240 1.00 0.56 C ATOM 837 SD MET A 553 4.147 9.673 -1.799 1.00 1.03 S ATOM 838 CE MET A 553 3.920 8.067 -2.554 1.00 0.80 C ATOM 0 H MET A 553 -0.384 8.433 -1.756 1.00 0.18 H new ATOM 0 HA MET A 553 0.053 11.327 -1.298 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.543 9.341 -3.038 1.00 0.35 H new ATOM 0 HB3 MET A 553 1.852 11.065 -2.998 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.474 10.917 -0.617 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.117 9.202 -0.616 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.753 7.418 -2.285 1.00 0.80 H new ATOM 0 HE2 MET A 553 2.988 7.627 -2.200 1.00 0.80 H new ATOM 0 HE3 MET A 553 3.881 8.177 -3.638 1.00 0.80 H new ATOM 848 N LYS A 554 -1.873 11.479 -2.954 1.00 0.32 N ATOM 849 CA LYS A 554 -2.740 11.963 -4.021 1.00 0.37 C ATOM 850 C LYS A 554 -1.968 12.747 -5.078 1.00 0.38 C ATOM 851 O LYS A 554 -2.352 12.765 -6.245 1.00 0.40 O ATOM 852 CB LYS A 554 -3.848 12.841 -3.431 1.00 0.47 C ATOM 853 CG LYS A 554 -4.334 12.400 -2.052 1.00 0.43 C ATOM 854 CD LYS A 554 -4.790 10.948 -2.028 1.00 0.37 C ATOM 855 CE LYS A 554 -5.387 10.578 -0.681 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.662 11.294 -0.411 1.00 1.03 N ATOM 0 H LYS A 554 -2.181 11.740 -2.017 1.00 0.32 H new ATOM 0 HA LYS A 554 -3.176 11.092 -4.511 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.485 13.867 -3.364 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.695 12.846 -4.117 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.531 12.537 -1.327 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -5.158 13.041 -1.739 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.528 10.784 -2.813 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.944 10.296 -2.245 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.563 9.503 -0.647 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.670 10.808 0.107 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -7.149 10.845 0.391 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.460 12.288 -0.181 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.270 11.250 -1.254 1.00 1.03 H new ATOM 870 N SER A 555 -0.878 13.379 -4.671 1.00 0.40 N ATOM 871 CA SER A 555 -0.131 14.257 -5.551 1.00 0.44 C ATOM 872 C SER A 555 0.605 13.479 -6.649 1.00 0.38 C ATOM 873 O SER A 555 0.675 13.924 -7.795 1.00 0.38 O ATOM 874 CB SER A 555 0.849 15.072 -4.714 1.00 0.51 C ATOM 875 OG SER A 555 1.696 14.220 -3.960 1.00 0.50 O ATOM 0 H SER A 555 -0.491 13.298 -3.731 1.00 0.40 H new ATOM 0 HA SER A 555 -0.830 14.922 -6.057 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.450 15.707 -5.365 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.300 15.733 -4.043 1.00 0.51 H new ATOM 0 HG SER A 555 2.318 14.762 -3.431 1.00 0.50 H new ATOM 881 N THR A 556 1.171 12.329 -6.295 1.00 0.34 N ATOM 882 CA THR A 556 1.938 11.533 -7.246 1.00 0.32 C ATOM 883 C THR A 556 1.157 10.333 -7.773 1.00 0.27 C ATOM 884 O THR A 556 1.684 9.543 -8.561 1.00 0.28 O ATOM 885 CB THR A 556 3.243 11.032 -6.602 1.00 0.36 C ATOM 886 OG1 THR A 556 2.949 10.337 -5.384 1.00 0.34 O ATOM 887 CG2 THR A 556 4.189 12.183 -6.314 1.00 0.45 C ATOM 0 H THR A 556 1.113 11.929 -5.359 1.00 0.34 H new ATOM 0 HA THR A 556 2.158 12.190 -8.087 1.00 0.32 H new ATOM 0 HB THR A 556 3.729 10.355 -7.305 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.783 10.019 -4.979 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.102 11.799 -5.859 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.434 12.694 -7.245 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.711 12.885 -5.630 1.00 0.45 H new ATOM 895 N ASN A 557 -0.103 10.214 -7.349 1.00 0.26 N ATOM 896 CA ASN A 557 -0.944 9.064 -7.694 1.00 0.26 C ATOM 897 C ASN A 557 -0.300 7.767 -7.198 1.00 0.21 C ATOM 898 O ASN A 557 -0.345 6.724 -7.861 1.00 0.25 O ATOM 899 CB ASN A 557 -1.182 8.993 -9.212 1.00 0.31 C ATOM 900 CG ASN A 557 -2.090 10.099 -9.728 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.126 11.203 -9.187 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.833 9.806 -10.787 1.00 1.28 N ATOM 0 H ASN A 557 -0.567 10.906 -6.761 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.909 9.189 -7.203 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.223 9.049 -9.727 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.621 8.026 -9.460 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.461 10.508 -11.179 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.776 8.879 -11.209 1.00 1.28 H new ATOM 909 N GLN A 558 0.287 7.845 -6.010 1.00 0.17 N ATOM 910 CA GLN A 558 1.003 6.723 -5.416 1.00 0.17 C ATOM 911 C GLN A 558 0.715 6.665 -3.923 1.00 0.16 C ATOM 912 O GLN A 558 0.192 7.622 -3.361 1.00 0.20 O ATOM 913 CB GLN A 558 2.505 6.875 -5.654 1.00 0.22 C ATOM 914 CG GLN A 558 2.883 6.945 -7.121 1.00 0.29 C ATOM 915 CD GLN A 558 4.333 7.318 -7.327 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.190 6.994 -6.506 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.610 8.012 -8.417 1.00 0.84 N ATOM 0 H GLN A 558 0.280 8.686 -5.432 1.00 0.17 H new ATOM 0 HA GLN A 558 0.666 5.797 -5.882 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.854 7.778 -5.154 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.024 6.035 -5.193 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.689 5.980 -7.589 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.248 7.676 -7.622 1.00 0.29 H new ATOM 0 HE21 GLN A 558 3.865 8.257 -9.069 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.569 8.303 -8.607 1.00 0.84 H new ATOM 926 N ALA A 559 1.029 5.552 -3.277 1.00 0.15 N ATOM 927 CA ALA A 559 0.738 5.400 -1.862 1.00 0.14 C ATOM 928 C ALA A 559 1.631 4.339 -1.206 1.00 0.14 C ATOM 929 O ALA A 559 2.321 3.582 -1.885 1.00 0.16 O ATOM 930 CB ALA A 559 -0.730 5.066 -1.684 1.00 0.15 C ATOM 0 H ALA A 559 1.482 4.746 -3.708 1.00 0.15 H new ATOM 0 HA ALA A 559 0.955 6.343 -1.361 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.951 4.951 -0.623 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.339 5.870 -2.097 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.957 4.136 -2.204 1.00 0.15 H new ATOM 936 N PHE A 560 1.645 4.331 0.119 1.00 0.14 N ATOM 937 CA PHE A 560 2.391 3.332 0.887 1.00 0.15 C ATOM 938 C PHE A 560 1.454 2.521 1.768 1.00 0.14 C ATOM 939 O PHE A 560 0.427 3.025 2.226 1.00 0.16 O ATOM 940 CB PHE A 560 3.450 3.981 1.784 1.00 0.16 C ATOM 941 CG PHE A 560 4.595 4.627 1.058 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.716 3.887 0.711 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.565 5.977 0.747 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.782 4.482 0.065 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.627 6.575 0.099 1.00 0.35 C ATOM 946 CZ PHE A 560 6.737 5.828 -0.241 1.00 0.30 C ATOM 0 H PHE A 560 1.145 5.010 0.693 1.00 0.14 H new ATOM 0 HA PHE A 560 2.883 2.684 0.162 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.965 4.733 2.406 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.849 3.221 2.456 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.756 2.834 0.949 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.701 6.568 1.015 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.649 3.896 -0.200 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.590 7.627 -0.142 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.569 6.296 -0.746 1.00 0.30 H new ATOM 956 N LEU A 561 1.825 1.273 2.012 1.00 0.14 N ATOM 957 CA LEU A 561 1.032 0.375 2.834 1.00 0.14 C ATOM 958 C LEU A 561 1.937 -0.405 3.788 1.00 0.16 C ATOM 959 O LEU A 561 2.834 -1.127 3.357 1.00 0.18 O ATOM 960 CB LEU A 561 0.250 -0.580 1.927 1.00 0.15 C ATOM 961 CG LEU A 561 -0.706 -1.549 2.627 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.768 -0.785 3.405 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.354 -2.472 1.603 1.00 0.20 C ATOM 0 H LEU A 561 2.681 0.857 1.647 1.00 0.14 H new ATOM 0 HA LEU A 561 0.328 0.953 3.433 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.325 0.015 1.218 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.965 -1.164 1.347 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.137 -2.153 3.333 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.438 -1.491 3.896 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.288 -0.158 4.157 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.340 -0.158 2.721 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.033 -3.158 2.110 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.912 -1.878 0.879 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.582 -3.041 1.086 1.00 0.20 H new ATOM 975 N GLU A 562 1.709 -0.235 5.082 1.00 0.17 N ATOM 976 CA GLU A 562 2.486 -0.942 6.091 1.00 0.20 C ATOM 977 C GLU A 562 1.710 -2.139 6.620 1.00 0.18 C ATOM 978 O GLU A 562 0.568 -2.013 7.067 1.00 0.18 O ATOM 979 CB GLU A 562 2.858 -0.017 7.247 1.00 0.27 C ATOM 980 CG GLU A 562 3.884 -0.616 8.195 1.00 0.57 C ATOM 981 CD GLU A 562 4.165 0.270 9.390 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.088 1.101 9.312 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.459 0.144 10.410 1.00 1.21 O ATOM 0 H GLU A 562 0.993 0.386 5.459 1.00 0.17 H new ATOM 0 HA GLU A 562 3.404 -1.291 5.618 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.249 0.917 6.843 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.957 0.231 7.808 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.528 -1.586 8.543 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.813 -0.793 7.653 1.00 0.57 H new ATOM 990 N MET A 563 2.349 -3.293 6.571 1.00 0.25 N ATOM 991 CA MET A 563 1.719 -4.545 6.946 1.00 0.23 C ATOM 992 C MET A 563 2.418 -5.116 8.172 1.00 0.27 C ATOM 993 O MET A 563 3.613 -4.896 8.364 1.00 0.39 O ATOM 994 CB MET A 563 1.812 -5.511 5.768 1.00 0.25 C ATOM 995 CG MET A 563 1.324 -4.888 4.472 1.00 0.25 C ATOM 996 SD MET A 563 1.844 -5.802 3.016 1.00 0.31 S ATOM 997 CE MET A 563 1.260 -4.723 1.708 1.00 0.25 C ATOM 0 H MET A 563 3.319 -3.389 6.270 1.00 0.25 H new ATOM 0 HA MET A 563 0.670 -4.385 7.193 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.846 -5.834 5.647 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.223 -6.402 5.984 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.236 -4.832 4.489 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.695 -3.865 4.404 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.430 -5.198 0.742 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.194 -4.537 1.839 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.801 -3.777 1.748 1.00 0.25 H new ATOM 1007 N ALA A 564 1.670 -5.850 8.988 1.00 0.28 N ATOM 1008 CA ALA A 564 2.163 -6.313 10.284 1.00 0.33 C ATOM 1009 C ALA A 564 3.127 -7.484 10.142 1.00 0.27 C ATOM 1010 O ALA A 564 3.858 -7.817 11.075 1.00 0.40 O ATOM 1011 CB ALA A 564 0.996 -6.698 11.179 1.00 0.50 C ATOM 0 H ALA A 564 0.715 -6.139 8.775 1.00 0.28 H new ATOM 0 HA ALA A 564 2.714 -5.490 10.740 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.374 -7.042 12.142 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.352 -5.832 11.330 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.424 -7.497 10.708 1.00 0.50 H new ATOM 1017 N TYR A 565 3.121 -8.107 8.975 1.00 0.27 N ATOM 1018 CA TYR A 565 3.975 -9.253 8.712 1.00 0.37 C ATOM 1019 C TYR A 565 4.485 -9.209 7.276 1.00 0.33 C ATOM 1020 O TYR A 565 3.778 -8.772 6.366 1.00 0.29 O ATOM 1021 CB TYR A 565 3.214 -10.558 8.957 1.00 0.55 C ATOM 1022 CG TYR A 565 2.950 -10.866 10.417 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.811 -10.393 11.057 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.843 -11.632 11.152 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.571 -10.673 12.387 1.00 0.90 C ATOM 1026 CE2 TYR A 565 3.611 -11.917 12.482 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.475 -11.435 13.095 1.00 0.98 C ATOM 1028 OH TYR A 565 2.240 -11.720 14.423 1.00 1.15 O ATOM 0 H TYR A 565 2.529 -7.836 8.190 1.00 0.27 H new ATOM 0 HA TYR A 565 4.825 -9.213 9.393 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.261 -10.513 8.430 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.780 -11.381 8.521 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.101 -9.796 10.504 1.00 0.75 H new ATOM 0 HD2 TYR A 565 4.735 -12.012 10.675 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.681 -10.297 12.870 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.316 -12.515 13.040 1.00 1.00 H new ATOM 0 HH TYR A 565 2.973 -12.268 14.775 1.00 1.15 H new ATOM 1038 N THR A 566 5.722 -9.657 7.089 1.00 0.39 N ATOM 1039 CA THR A 566 6.361 -9.643 5.778 1.00 0.40 C ATOM 1040 C THR A 566 5.675 -10.647 4.849 1.00 0.36 C ATOM 1041 O THR A 566 5.680 -10.487 3.627 1.00 0.35 O ATOM 1042 CB THR A 566 7.885 -9.918 5.869 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.541 -9.480 4.674 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.188 -11.389 6.089 1.00 0.57 C ATOM 0 H THR A 566 6.305 -10.037 7.834 1.00 0.39 H new ATOM 0 HA THR A 566 6.247 -8.642 5.362 1.00 0.40 H new ATOM 0 HB THR A 566 8.258 -9.360 6.728 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.286 -8.888 4.908 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.267 -11.534 6.146 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.728 -11.720 7.020 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.787 -11.971 5.259 1.00 0.57 H new ATOM 1052 N GLU A 567 5.080 -11.678 5.451 1.00 0.38 N ATOM 1053 CA GLU A 567 4.297 -12.672 4.725 1.00 0.40 C ATOM 1054 C GLU A 567 3.166 -12.000 3.956 1.00 0.31 C ATOM 1055 O GLU A 567 2.795 -12.438 2.869 1.00 0.32 O ATOM 1056 CB GLU A 567 3.734 -13.713 5.699 1.00 0.49 C ATOM 1057 CG GLU A 567 2.741 -13.141 6.701 1.00 0.55 C ATOM 1058 CD GLU A 567 2.549 -14.037 7.909 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.481 -14.138 8.732 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.464 -14.642 8.040 1.00 0.84 O ATOM 0 H GLU A 567 5.129 -11.845 6.456 1.00 0.38 H new ATOM 0 HA GLU A 567 4.948 -13.176 4.011 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.247 -14.504 5.129 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.560 -14.173 6.242 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.087 -12.162 7.031 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.780 -12.990 6.209 1.00 0.55 H new ATOM 1067 N ALA A 568 2.645 -10.914 4.516 1.00 0.26 N ATOM 1068 CA ALA A 568 1.536 -10.205 3.913 1.00 0.24 C ATOM 1069 C ALA A 568 2.009 -9.446 2.686 1.00 0.21 C ATOM 1070 O ALA A 568 1.375 -9.490 1.637 1.00 0.22 O ATOM 1071 CB ALA A 568 0.901 -9.258 4.918 1.00 0.25 C ATOM 0 H ALA A 568 2.979 -10.509 5.390 1.00 0.26 H new ATOM 0 HA ALA A 568 0.782 -10.929 3.605 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.069 -8.733 4.448 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.535 -9.827 5.773 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.643 -8.534 5.255 1.00 0.25 H new ATOM 1077 N ALA A 569 3.158 -8.793 2.818 1.00 0.19 N ATOM 1078 CA ALA A 569 3.685 -7.949 1.759 1.00 0.21 C ATOM 1079 C ALA A 569 4.001 -8.757 0.514 1.00 0.22 C ATOM 1080 O ALA A 569 3.605 -8.388 -0.588 1.00 0.24 O ATOM 1081 CB ALA A 569 4.931 -7.227 2.246 1.00 0.23 C ATOM 0 H ALA A 569 3.743 -8.834 3.653 1.00 0.19 H new ATOM 0 HA ALA A 569 2.922 -7.216 1.497 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.321 -6.596 1.448 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.680 -6.608 3.108 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.687 -7.958 2.533 1.00 0.23 H new ATOM 1087 N GLN A 570 4.678 -9.881 0.697 1.00 0.24 N ATOM 1088 CA GLN A 570 5.044 -10.718 -0.431 1.00 0.28 C ATOM 1089 C GLN A 570 3.814 -11.389 -1.027 1.00 0.27 C ATOM 1090 O GLN A 570 3.717 -11.542 -2.241 1.00 0.29 O ATOM 1091 CB GLN A 570 6.116 -11.746 -0.053 1.00 0.34 C ATOM 1092 CG GLN A 570 5.794 -12.582 1.173 1.00 0.38 C ATOM 1093 CD GLN A 570 6.926 -13.526 1.527 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.105 -13.781 2.811 1.00 1.24 O flip ATOM 1095 NE2 GLN A 570 7.651 -14.005 0.651 1.00 1.04 N flip ATOM 0 H GLN A 570 4.981 -10.230 1.606 1.00 0.24 H new ATOM 0 HA GLN A 570 5.479 -10.073 -1.194 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.273 -12.414 -0.900 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.057 -11.223 0.119 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.592 -11.924 2.018 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.885 -13.156 0.992 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.480 -13.784 -0.330 1.00 1.04 H new ATOM 0 HE22 GLN A 570 8.421 -14.622 0.908 1.00 1.04 H new ATOM 1104 N ALA A 571 2.865 -11.767 -0.174 1.00 0.26 N ATOM 1105 CA ALA A 571 1.635 -12.397 -0.635 1.00 0.27 C ATOM 1106 C ALA A 571 0.840 -11.452 -1.527 1.00 0.25 C ATOM 1107 O ALA A 571 0.334 -11.857 -2.573 1.00 0.27 O ATOM 1108 CB ALA A 571 0.790 -12.845 0.546 1.00 0.31 C ATOM 0 H ALA A 571 2.926 -11.648 0.837 1.00 0.26 H new ATOM 0 HA ALA A 571 1.905 -13.274 -1.223 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.125 -13.313 0.182 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.352 -13.562 1.144 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.536 -11.981 1.160 1.00 0.31 H new ATOM 1114 N MET A 572 0.735 -10.192 -1.115 1.00 0.25 N ATOM 1115 CA MET A 572 0.010 -9.201 -1.901 1.00 0.28 C ATOM 1116 C MET A 572 0.720 -8.960 -3.222 1.00 0.24 C ATOM 1117 O MET A 572 0.084 -8.918 -4.272 1.00 0.24 O ATOM 1118 CB MET A 572 -0.144 -7.880 -1.146 1.00 0.37 C ATOM 1119 CG MET A 572 -0.771 -8.037 0.225 1.00 0.47 C ATOM 1120 SD MET A 572 -1.288 -6.472 0.943 1.00 0.36 S ATOM 1121 CE MET A 572 -1.277 -6.895 2.685 1.00 0.33 C ATOM 0 H MET A 572 1.139 -9.836 -0.249 1.00 0.25 H new ATOM 0 HA MET A 572 -0.988 -9.597 -2.089 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.836 -7.416 -1.038 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.754 -7.200 -1.740 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.634 -8.699 0.150 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.056 -8.518 0.893 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.312 -5.983 3.281 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.145 -7.512 2.915 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.367 -7.447 2.920 1.00 0.33 H new ATOM 1131 N VAL A 573 2.043 -8.825 -3.169 1.00 0.24 N ATOM 1132 CA VAL A 573 2.831 -8.634 -4.377 1.00 0.27 C ATOM 1133 C VAL A 573 2.630 -9.808 -5.325 1.00 0.25 C ATOM 1134 O VAL A 573 2.359 -9.617 -6.505 1.00 0.28 O ATOM 1135 CB VAL A 573 4.338 -8.476 -4.066 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.151 -8.361 -5.348 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.578 -7.263 -3.181 1.00 0.32 C ATOM 0 H VAL A 573 2.587 -8.845 -2.306 1.00 0.24 H new ATOM 0 HA VAL A 573 2.485 -7.713 -4.847 1.00 0.27 H new ATOM 0 HB VAL A 573 4.665 -9.368 -3.532 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.207 -8.251 -5.101 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.011 -9.259 -5.949 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.818 -7.490 -5.913 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.644 -7.169 -2.974 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.227 -6.366 -3.691 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.035 -7.384 -2.243 1.00 0.32 H new ATOM 1147 N GLN A 574 2.714 -11.021 -4.791 1.00 0.23 N ATOM 1148 CA GLN A 574 2.537 -12.224 -5.595 1.00 0.25 C ATOM 1149 C GLN A 574 1.144 -12.270 -6.207 1.00 0.23 C ATOM 1150 O GLN A 574 0.978 -12.656 -7.367 1.00 0.26 O ATOM 1151 CB GLN A 574 2.767 -13.482 -4.753 1.00 0.28 C ATOM 1152 CG GLN A 574 4.216 -13.693 -4.341 1.00 0.33 C ATOM 1153 CD GLN A 574 5.170 -13.616 -5.516 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.404 -14.607 -6.205 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.746 -12.446 -5.737 1.00 2.09 N ATOM 0 H GLN A 574 2.904 -11.197 -3.804 1.00 0.23 H new ATOM 0 HA GLN A 574 3.275 -12.194 -6.397 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.150 -13.425 -3.857 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.430 -14.351 -5.317 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.493 -12.941 -3.602 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.316 -14.666 -3.859 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.524 -11.648 -5.142 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.412 -12.342 -6.503 1.00 2.09 H new ATOM 1164 N TYR A 575 0.149 -11.873 -5.425 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.227 -11.892 -5.890 1.00 0.20 C ATOM 1166 C TYR A 575 -1.451 -10.846 -6.978 1.00 0.20 C ATOM 1167 O TYR A 575 -1.934 -11.170 -8.053 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.201 -11.668 -4.729 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.644 -11.546 -5.169 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.282 -10.313 -5.204 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.369 -12.669 -5.542 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.603 -10.206 -5.599 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.686 -12.569 -5.938 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.289 -11.307 -5.989 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.616 -11.239 -6.357 1.00 0.48 O ATOM 0 H TYR A 575 0.270 -11.536 -4.470 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.419 -12.877 -6.315 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.112 -12.496 -4.025 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.914 -10.763 -4.194 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.738 -9.424 -4.919 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.893 -13.638 -5.522 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.089 -9.242 -5.597 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.245 -13.453 -6.205 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.933 -12.132 -6.606 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.080 -9.598 -6.701 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.318 -8.503 -7.643 1.00 0.25 C ATOM 1187 C TYR A 576 -0.397 -8.558 -8.859 1.00 0.30 C ATOM 1188 O TYR A 576 -0.621 -7.853 -9.841 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.234 -7.145 -6.940 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.324 -6.964 -5.904 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.655 -6.934 -6.273 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.011 -6.784 -4.564 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.654 -6.730 -5.340 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.002 -6.588 -3.621 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.324 -6.706 -3.994 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.306 -6.343 -3.081 1.00 0.35 O ATOM 0 H TYR A 576 -0.616 -9.319 -5.837 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.332 -8.630 -8.021 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.260 -7.047 -6.460 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.306 -6.350 -7.682 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.920 -7.073 -7.311 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.977 -6.797 -4.253 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.678 -6.591 -5.655 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.743 -6.345 -2.601 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.059 -6.967 -3.145 1.00 0.35 H new ATOM 1206 N GLN A 577 0.647 -9.374 -8.799 1.00 0.31 N ATOM 1207 CA GLN A 577 1.437 -9.648 -9.993 1.00 0.38 C ATOM 1208 C GLN A 577 0.613 -10.467 -10.975 1.00 0.37 C ATOM 1209 O GLN A 577 0.638 -10.222 -12.180 1.00 0.42 O ATOM 1210 CB GLN A 577 2.732 -10.392 -9.664 1.00 0.45 C ATOM 1211 CG GLN A 577 3.799 -9.524 -9.025 1.00 0.52 C ATOM 1212 CD GLN A 577 5.050 -10.308 -8.689 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.992 -11.503 -8.405 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.190 -9.643 -8.721 1.00 1.57 N ATOM 0 H GLN A 577 0.963 -9.850 -7.954 1.00 0.31 H new ATOM 0 HA GLN A 577 1.708 -8.690 -10.438 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.502 -11.220 -8.993 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.132 -10.826 -10.580 1.00 0.45 H new ATOM 0 HG2 GLN A 577 4.054 -8.708 -9.702 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.401 -9.072 -8.117 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.196 -8.652 -8.961 1.00 1.57 H new ATOM 0 HE22 GLN A 577 7.065 -10.120 -8.505 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.122 -11.437 -10.445 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.961 -12.297 -11.267 1.00 0.38 C ATOM 1225 C GLU A 578 -2.332 -11.672 -11.494 1.00 0.33 C ATOM 1226 O GLU A 578 -2.892 -11.765 -12.586 1.00 0.36 O ATOM 1227 CB GLU A 578 -1.117 -13.664 -10.601 1.00 0.42 C ATOM 1228 CG GLU A 578 0.188 -14.432 -10.488 1.00 0.52 C ATOM 1229 CD GLU A 578 0.801 -14.722 -11.840 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.747 -14.012 -12.238 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.338 -15.662 -12.516 1.00 1.31 O ATOM 0 H GLU A 578 -0.153 -11.647 -9.447 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.477 -12.418 -12.236 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.538 -13.529 -9.605 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.832 -14.258 -11.171 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.894 -13.859 -9.887 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.011 -15.371 -9.963 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.868 -11.038 -10.464 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.131 -10.326 -10.559 1.00 0.28 C ATOM 1240 C LYS A 579 -4.026 -8.976 -9.871 1.00 0.25 C ATOM 1241 O LYS A 579 -4.285 -8.867 -8.672 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.259 -11.117 -9.900 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.651 -12.385 -10.632 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.874 -13.027 -9.999 1.00 0.69 C ATOM 1245 CE LYS A 579 -8.075 -12.087 -10.014 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.415 -11.631 -11.388 1.00 2.46 N ATOM 0 H LYS A 579 -2.440 -11.003 -9.539 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.354 -10.193 -11.618 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.958 -11.377 -8.885 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.136 -10.475 -9.818 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.857 -12.156 -11.678 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.819 -13.089 -10.618 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -7.122 -13.943 -10.534 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.646 -13.310 -8.971 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -8.936 -12.594 -9.578 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.864 -11.220 -9.387 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.330 -11.136 -11.373 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.677 -10.984 -11.732 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.477 -12.454 -12.021 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.640 -7.933 -10.607 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.549 -6.581 -10.058 1.00 0.25 C ATOM 1262 C PRO A 580 -4.916 -6.051 -9.642 1.00 0.22 C ATOM 1263 O PRO A 580 -5.951 -6.553 -10.086 1.00 0.22 O ATOM 1264 CB PRO A 580 -2.981 -5.755 -11.214 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.295 -6.538 -12.442 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.263 -7.981 -12.030 1.00 0.32 C ATOM 0 HA PRO A 580 -2.933 -6.542 -9.159 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.435 -4.765 -11.251 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.906 -5.609 -11.104 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.273 -6.267 -12.838 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.566 -6.340 -13.228 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.962 -8.581 -12.612 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.274 -8.418 -12.170 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.922 -5.037 -8.793 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.173 -4.441 -8.351 1.00 0.22 C ATOM 1276 C ALA A 581 -6.541 -3.300 -9.280 1.00 0.20 C ATOM 1277 O ALA A 581 -5.715 -2.450 -9.581 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.051 -3.942 -6.923 1.00 0.27 C ATOM 0 H ALA A 581 -4.083 -4.612 -8.398 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.958 -5.196 -8.379 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.997 -3.499 -6.610 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.806 -4.776 -6.266 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.263 -3.191 -6.866 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.771 -3.298 -9.755 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.184 -2.342 -10.767 1.00 0.26 C ATOM 1286 C ILE A 582 -9.016 -1.215 -10.161 1.00 0.28 C ATOM 1287 O ILE A 582 -10.055 -1.460 -9.546 1.00 0.33 O ATOM 1288 CB ILE A 582 -8.995 -3.043 -11.878 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.222 -4.254 -12.412 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.305 -2.074 -13.007 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -8.982 -5.055 -13.447 1.00 0.51 C ATOM 0 H ILE A 582 -8.501 -3.945 -9.458 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.280 -1.912 -11.198 1.00 0.26 H new ATOM 0 HB ILE A 582 -9.938 -3.387 -11.454 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.284 -3.911 -12.848 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -7.966 -4.907 -11.577 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -9.877 -2.587 -13.780 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -9.887 -1.238 -12.619 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.373 -1.701 -13.432 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.371 -5.895 -13.777 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -9.908 -5.429 -13.010 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.215 -4.418 -14.300 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.548 0.014 -10.334 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.278 1.193 -9.883 1.00 0.33 C ATOM 1305 C ILE A 583 -9.413 2.184 -11.034 1.00 0.36 C ATOM 1306 O ILE A 583 -8.413 2.718 -11.516 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.582 1.899 -8.697 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.546 0.999 -7.455 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.292 3.207 -8.381 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.905 0.737 -6.842 1.00 0.51 C ATOM 0 H ILE A 583 -7.658 0.222 -10.787 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.258 0.854 -9.546 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.552 2.111 -8.985 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.091 0.046 -7.723 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.903 1.459 -6.704 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.795 3.698 -7.544 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.260 3.858 -9.254 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.330 3.003 -8.118 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.793 0.093 -5.970 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.356 1.682 -6.540 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.546 0.247 -7.575 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.645 2.398 -11.487 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.931 3.303 -12.606 1.00 0.47 C ATOM 1324 C ASN A 584 -10.177 2.867 -13.852 1.00 0.45 C ATOM 1325 O ASN A 584 -9.736 3.695 -14.653 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.576 4.758 -12.278 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.398 5.338 -11.146 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.520 4.902 -10.878 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.853 6.348 -10.491 1.00 0.91 N ATOM 0 H ASN A 584 -11.474 1.953 -11.093 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.004 3.250 -12.789 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.519 4.816 -12.017 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.718 5.369 -13.170 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.364 6.798 -9.731 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -9.922 6.678 -10.745 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.016 1.563 -13.994 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.377 1.012 -15.166 1.00 0.44 C ATOM 1338 C GLY A 585 -7.863 0.996 -15.083 1.00 0.39 C ATOM 1339 O GLY A 585 -7.193 0.619 -16.045 1.00 0.42 O ATOM 0 H GLY A 585 -10.320 0.870 -13.310 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -9.735 -0.006 -15.319 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.678 1.591 -16.039 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.311 1.402 -13.948 1.00 0.35 N ATOM 1344 CA GLU A 586 -5.868 1.374 -13.766 1.00 0.32 C ATOM 1345 C GLU A 586 -5.472 0.247 -12.821 1.00 0.24 C ATOM 1346 O GLU A 586 -6.013 0.123 -11.721 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.353 2.716 -13.241 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.564 3.865 -14.214 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.854 5.130 -13.786 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.659 5.282 -14.110 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.487 5.986 -13.136 1.00 1.79 O ATOM 0 H GLU A 586 -7.836 1.752 -13.146 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.409 1.193 -14.738 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.856 2.948 -12.302 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.289 2.627 -13.020 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.208 3.570 -15.201 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.631 4.066 -14.307 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.561 -0.596 -13.285 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.042 -1.697 -12.488 1.00 0.19 C ATOM 1360 C LYS A 587 -3.049 -1.200 -11.446 1.00 0.17 C ATOM 1361 O LYS A 587 -2.037 -0.584 -11.782 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.364 -2.718 -13.396 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.263 -3.237 -14.506 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.532 -4.230 -15.394 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.430 -4.777 -16.491 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.776 -3.745 -17.507 1.00 1.67 N ATOM 0 H LYS A 587 -4.162 -0.536 -14.222 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.879 -2.165 -11.969 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.478 -2.265 -13.840 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.024 -3.559 -12.792 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.142 -3.714 -14.071 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.619 -2.401 -15.109 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -2.665 -3.746 -15.843 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.158 -5.054 -14.786 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -3.932 -5.613 -16.981 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.346 -5.167 -16.047 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.333 -4.181 -18.269 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.334 -2.990 -17.059 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.903 -3.342 -17.903 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.341 -1.478 -10.188 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.498 -1.054 -9.086 1.00 0.15 C ATOM 1382 C LEU A 588 -1.314 -1.993 -8.919 1.00 0.17 C ATOM 1383 O LEU A 588 -1.461 -3.215 -8.987 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.313 -1.019 -7.795 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.615 -0.222 -7.871 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.312 -0.214 -6.525 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.352 1.192 -8.349 1.00 0.16 C ATOM 0 H LEU A 588 -4.168 -2.003 -9.903 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.120 -0.056 -9.306 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.548 -2.043 -7.505 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.693 -0.598 -7.004 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.272 -0.706 -8.594 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.237 0.358 -6.598 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.541 -1.237 -6.228 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.660 0.243 -5.781 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.292 1.741 -8.396 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.675 1.690 -7.656 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -3.899 1.163 -9.340 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.150 -1.412 -8.689 1.00 0.17 N ATOM 1400 CA LEU A 589 1.069 -2.185 -8.525 1.00 0.19 C ATOM 1401 C LEU A 589 1.575 -2.082 -7.089 1.00 0.18 C ATOM 1402 O LEU A 589 1.985 -1.006 -6.643 1.00 0.18 O ATOM 1403 CB LEU A 589 2.141 -1.704 -9.505 1.00 0.23 C ATOM 1404 CG LEU A 589 3.462 -2.474 -9.464 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.253 -3.916 -9.892 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.498 -1.802 -10.348 1.00 0.38 C ATOM 0 H LEU A 589 -0.023 -0.403 -8.611 1.00 0.17 H new ATOM 0 HA LEU A 589 0.848 -3.231 -8.740 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.737 -1.763 -10.516 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.347 -0.653 -9.304 1.00 0.23 H new ATOM 0 HG LEU A 589 3.830 -2.470 -8.438 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.204 -4.448 -9.856 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.543 -4.396 -9.218 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.861 -3.941 -10.909 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.431 -2.364 -10.306 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.137 -1.775 -11.376 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.671 -0.785 -9.997 1.00 0.38 H new ATOM 1418 N ILE A 590 1.518 -3.192 -6.366 1.00 0.18 N ATOM 1419 CA ILE A 590 2.025 -3.251 -5.002 1.00 0.18 C ATOM 1420 C ILE A 590 3.352 -4.002 -4.968 1.00 0.20 C ATOM 1421 O ILE A 590 3.412 -5.173 -5.341 1.00 0.26 O ATOM 1422 CB ILE A 590 1.022 -3.953 -4.055 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.336 -3.242 -4.086 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.572 -4.006 -2.636 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.313 -3.722 -3.028 1.00 0.21 C ATOM 0 H ILE A 590 1.123 -4.069 -6.704 1.00 0.18 H new ATOM 0 HA ILE A 590 2.168 -2.226 -4.660 1.00 0.18 H new ATOM 0 HB ILE A 590 0.879 -4.976 -4.403 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.176 -2.171 -3.958 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.785 -3.382 -5.069 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.853 -4.503 -1.985 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.510 -4.561 -2.630 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.747 -2.992 -2.276 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.248 -3.169 -3.118 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.506 -4.786 -3.167 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.888 -3.556 -2.038 1.00 0.21 H new ATOM 1437 N ARG A 591 4.416 -3.325 -4.537 1.00 0.18 N ATOM 1438 CA ARG A 591 5.742 -3.937 -4.449 1.00 0.22 C ATOM 1439 C ARG A 591 6.518 -3.368 -3.263 1.00 0.18 C ATOM 1440 O ARG A 591 6.140 -2.341 -2.700 1.00 0.19 O ATOM 1441 CB ARG A 591 6.539 -3.734 -5.748 1.00 0.33 C ATOM 1442 CG ARG A 591 5.993 -4.529 -6.924 1.00 0.45 C ATOM 1443 CD ARG A 591 7.012 -4.674 -8.044 1.00 0.65 C ATOM 1444 NE ARG A 591 7.315 -3.409 -8.713 1.00 1.33 N ATOM 1445 CZ ARG A 591 7.826 -3.335 -9.945 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.109 -4.447 -10.612 1.00 1.56 N ATOM 1447 NH2 ARG A 591 8.068 -2.156 -10.505 1.00 2.62 N ATOM 0 H ARG A 591 4.385 -2.349 -4.242 1.00 0.18 H new ATOM 0 HA ARG A 591 5.603 -5.008 -4.300 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.538 -2.674 -6.004 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.577 -4.020 -5.577 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.689 -5.518 -6.582 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.100 -4.037 -7.309 1.00 0.45 H new ATOM 0 HD2 ARG A 591 7.933 -5.092 -7.637 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.636 -5.386 -8.779 1.00 0.65 H new ATOM 0 HE ARG A 591 7.127 -2.540 -8.214 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.936 -5.357 -10.184 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.499 -4.392 -11.553 1.00 1.56 H new ATOM 0 HH21 ARG A 591 7.864 -1.297 -9.994 1.00 2.62 H new ATOM 0 HH22 ARG A 591 8.458 -2.109 -11.446 1.00 2.62 H new ATOM 1461 N MET A 592 7.606 -4.037 -2.897 1.00 0.17 N ATOM 1462 CA MET A 592 8.390 -3.647 -1.728 1.00 0.18 C ATOM 1463 C MET A 592 9.332 -2.510 -2.084 1.00 0.21 C ATOM 1464 O MET A 592 10.075 -2.599 -3.060 1.00 0.29 O ATOM 1465 CB MET A 592 9.200 -4.828 -1.189 1.00 0.19 C ATOM 1466 CG MET A 592 8.355 -5.962 -0.634 1.00 0.22 C ATOM 1467 SD MET A 592 9.363 -7.264 0.100 1.00 0.29 S ATOM 1468 CE MET A 592 8.100 -8.425 0.611 1.00 0.34 C ATOM 0 H MET A 592 7.966 -4.853 -3.393 1.00 0.17 H new ATOM 0 HA MET A 592 7.696 -3.318 -0.955 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.830 -5.217 -1.989 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.866 -4.469 -0.405 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.669 -5.569 0.117 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.745 -6.384 -1.433 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.485 -9.441 0.527 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.821 -8.227 1.646 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.224 -8.315 -0.029 1.00 0.34 H new ATOM 1478 N SER A 593 9.307 -1.451 -1.292 1.00 0.23 N ATOM 1479 CA SER A 593 10.120 -0.279 -1.569 1.00 0.26 C ATOM 1480 C SER A 593 11.605 -0.566 -1.368 1.00 0.25 C ATOM 1481 O SER A 593 12.009 -1.201 -0.392 1.00 0.27 O ATOM 1482 CB SER A 593 9.685 0.879 -0.686 1.00 0.34 C ATOM 1483 OG SER A 593 8.304 1.144 -0.850 1.00 1.37 O ATOM 0 H SER A 593 8.733 -1.379 -0.452 1.00 0.23 H new ATOM 0 HA SER A 593 9.972 -0.010 -2.615 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.894 0.645 0.358 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.263 1.769 -0.935 1.00 0.34 H new ATOM 0 HG SER A 593 8.109 2.059 -0.557 1.00 1.37 H new ATOM 1489 N THR A 594 12.396 -0.085 -2.306 1.00 0.27 N ATOM 1490 CA THR A 594 13.831 -0.313 -2.306 1.00 0.30 C ATOM 1491 C THR A 594 14.580 0.788 -1.552 1.00 0.31 C ATOM 1492 O THR A 594 15.772 0.658 -1.271 1.00 0.33 O ATOM 1493 CB THR A 594 14.364 -0.408 -3.745 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.882 0.702 -4.512 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.927 -1.710 -4.401 1.00 0.38 C ATOM 0 H THR A 594 12.064 0.475 -3.091 1.00 0.27 H new ATOM 0 HA THR A 594 14.007 -1.258 -1.792 1.00 0.30 H new ATOM 0 HB THR A 594 15.453 -0.387 -3.711 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.224 0.640 -5.428 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.316 -1.754 -5.418 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.313 -2.553 -3.828 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.838 -1.757 -4.427 1.00 0.38 H new ATOM 1503 N ARG A 595 13.875 1.860 -1.206 1.00 0.32 N ATOM 1504 CA ARG A 595 14.523 3.039 -0.637 1.00 0.37 C ATOM 1505 C ARG A 595 14.342 3.134 0.878 1.00 0.37 C ATOM 1506 O ARG A 595 15.191 3.692 1.576 1.00 0.41 O ATOM 1507 CB ARG A 595 13.977 4.305 -1.293 1.00 0.41 C ATOM 1508 CG ARG A 595 14.119 4.318 -2.802 1.00 0.46 C ATOM 1509 CD ARG A 595 13.570 5.601 -3.395 1.00 0.56 C ATOM 1510 NE ARG A 595 13.568 5.578 -4.855 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.169 6.598 -5.609 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.789 7.738 -5.040 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.159 6.483 -6.932 1.00 2.75 N ATOM 0 H ARG A 595 12.863 1.938 -1.308 1.00 0.32 H new ATOM 0 HA ARG A 595 15.590 2.941 -0.836 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.923 4.412 -1.035 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.496 5.170 -0.880 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.170 4.210 -3.072 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.592 3.464 -3.227 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.554 5.760 -3.035 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.167 6.444 -3.048 1.00 0.56 H new ATOM 0 HE ARG A 595 13.891 4.731 -5.323 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.803 7.831 -4.024 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.483 8.520 -5.619 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.458 5.612 -7.370 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.853 7.266 -7.510 1.00 2.75 H new ATOM 1527 N TYR A 596 13.245 2.589 1.390 1.00 0.35 N ATOM 1528 CA TYR A 596 12.915 2.748 2.805 1.00 0.37 C ATOM 1529 C TYR A 596 12.691 1.413 3.498 1.00 0.35 C ATOM 1530 O TYR A 596 12.191 0.457 2.898 1.00 0.36 O ATOM 1531 CB TYR A 596 11.671 3.622 2.966 1.00 0.39 C ATOM 1532 CG TYR A 596 11.900 5.076 2.630 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.537 5.594 1.394 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.485 5.929 3.555 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.750 6.924 1.091 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.701 7.258 3.260 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.332 7.752 2.028 1.00 0.56 C ATOM 1538 OH TYR A 596 12.544 9.078 1.734 1.00 0.65 O ATOM 0 H TYR A 596 12.574 2.038 0.855 1.00 0.35 H new ATOM 0 HA TYR A 596 13.770 3.231 3.278 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.879 3.232 2.327 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.317 3.548 3.994 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.081 4.947 0.659 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.776 5.545 4.522 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.463 7.314 0.126 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.157 7.909 3.991 1.00 0.61 H new ATOM 0 HH TYR A 596 12.168 9.282 0.852 1.00 0.65 H new ATOM 1548 N LYS A 597 13.074 1.358 4.768 1.00 0.38 N ATOM 1549 CA LYS A 597 12.881 0.171 5.586 1.00 0.41 C ATOM 1550 C LYS A 597 11.812 0.385 6.655 1.00 0.41 C ATOM 1551 O LYS A 597 11.437 -0.557 7.347 1.00 0.48 O ATOM 1552 CB LYS A 597 14.192 -0.249 6.239 1.00 0.50 C ATOM 1553 CG LYS A 597 15.217 -0.776 5.249 1.00 0.62 C ATOM 1554 CD LYS A 597 16.568 -0.990 5.908 1.00 1.29 C ATOM 1555 CE LYS A 597 17.178 0.330 6.349 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.463 0.135 7.069 1.00 2.18 N ATOM 0 H LYS A 597 13.525 2.132 5.256 1.00 0.38 H new ATOM 0 HA LYS A 597 12.539 -0.624 4.924 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.615 0.604 6.769 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.988 -1.018 6.984 1.00 0.50 H new ATOM 0 HG2 LYS A 597 14.865 -1.716 4.825 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.321 -0.073 4.423 1.00 0.62 H new ATOM 0 HD2 LYS A 597 16.455 -1.648 6.770 1.00 1.29 H new ATOM 0 HD3 LYS A 597 17.241 -1.490 5.211 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.343 0.963 5.477 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.476 0.856 6.996 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.846 1.059 7.353 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.302 -0.447 7.915 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 19.142 -0.344 6.444 1.00 2.18 H new ATOM 1570 N GLU A 598 11.329 1.613 6.811 1.00 0.38 N ATOM 1571 CA GLU A 598 10.265 1.879 7.773 1.00 0.41 C ATOM 1572 C GLU A 598 9.289 2.923 7.233 1.00 0.34 C ATOM 1573 O GLU A 598 9.667 3.813 6.471 1.00 0.33 O ATOM 1574 CB GLU A 598 10.860 2.374 9.096 1.00 0.55 C ATOM 1575 CG GLU A 598 9.813 2.776 10.124 1.00 0.62 C ATOM 1576 CD GLU A 598 10.418 3.396 11.364 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.526 2.696 12.391 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.790 4.585 11.320 1.00 0.91 O ATOM 0 H GLU A 598 11.652 2.430 6.292 1.00 0.38 H new ATOM 0 HA GLU A 598 9.724 0.948 7.942 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.488 1.590 9.518 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.507 3.228 8.896 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.119 3.484 9.671 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.233 1.898 10.408 1.00 0.62 H new ATOM 1585 N LEU A 599 8.035 2.794 7.642 1.00 0.36 N ATOM 1586 CA LEU A 599 7.012 3.772 7.305 1.00 0.32 C ATOM 1587 C LEU A 599 6.640 4.613 8.516 1.00 0.33 C ATOM 1588 O LEU A 599 6.232 4.095 9.556 1.00 0.37 O ATOM 1589 CB LEU A 599 5.774 3.090 6.716 1.00 0.33 C ATOM 1590 CG LEU A 599 5.976 2.489 5.323 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.669 1.970 4.753 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.589 3.514 4.386 1.00 0.33 C ATOM 0 H LEU A 599 7.701 2.016 8.211 1.00 0.36 H new ATOM 0 HA LEU A 599 7.425 4.437 6.547 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.454 2.299 7.395 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.963 3.817 6.669 1.00 0.33 H new ATOM 0 HG LEU A 599 6.660 1.646 5.419 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.845 1.549 3.763 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.267 1.198 5.409 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.954 2.789 4.677 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.726 3.070 3.400 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.927 4.376 4.307 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.555 3.833 4.777 1.00 0.33 H new ATOM 1604 N GLN A 600 6.800 5.918 8.371 1.00 0.36 N ATOM 1605 CA GLN A 600 6.535 6.853 9.451 1.00 0.44 C ATOM 1606 C GLN A 600 5.336 7.728 9.112 1.00 0.39 C ATOM 1607 O GLN A 600 5.354 8.457 8.119 1.00 0.43 O ATOM 1608 CB GLN A 600 7.772 7.719 9.695 1.00 0.59 C ATOM 1609 CG GLN A 600 7.650 8.665 10.879 1.00 0.85 C ATOM 1610 CD GLN A 600 8.847 9.588 11.007 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.963 9.240 10.618 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.627 10.770 11.557 1.00 1.34 N ATOM 0 H GLN A 600 7.116 6.357 7.506 1.00 0.36 H new ATOM 0 HA GLN A 600 6.306 6.294 10.358 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.632 7.068 9.852 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.975 8.303 8.797 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.744 9.262 10.772 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.543 8.084 11.795 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.688 11.022 11.867 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.396 11.430 11.672 1.00 1.34 H new ATOM 1621 N LEU A 601 4.295 7.655 9.931 1.00 0.37 N ATOM 1622 CA LEU A 601 3.099 8.456 9.707 1.00 0.34 C ATOM 1623 C LEU A 601 3.302 9.883 10.186 1.00 0.39 C ATOM 1624 O LEU A 601 2.834 10.264 11.259 1.00 0.46 O ATOM 1625 CB LEU A 601 1.883 7.852 10.410 1.00 0.36 C ATOM 1626 CG LEU A 601 1.408 6.504 9.874 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.071 6.144 10.494 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.302 6.530 8.360 1.00 0.32 C ATOM 0 H LEU A 601 4.254 7.052 10.753 1.00 0.37 H new ATOM 0 HA LEU A 601 2.915 8.462 8.633 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.118 7.739 11.468 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.058 8.561 10.341 1.00 0.36 H new ATOM 0 HG LEU A 601 2.141 5.745 10.146 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.262 5.181 10.107 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.177 6.083 11.577 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.664 6.909 10.244 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.962 5.558 8.002 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.589 7.298 8.058 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.279 6.753 7.931 1.00 0.32 H new ATOM 1640 N LYS A 602 4.005 10.666 9.383 1.00 0.41 N ATOM 1641 CA LYS A 602 4.212 12.076 9.676 1.00 0.48 C ATOM 1642 C LYS A 602 2.897 12.834 9.534 1.00 0.46 C ATOM 1643 O LYS A 602 2.732 13.932 10.065 1.00 0.51 O ATOM 1644 CB LYS A 602 5.283 12.664 8.759 1.00 0.59 C ATOM 1645 CG LYS A 602 6.645 12.021 8.953 1.00 0.69 C ATOM 1646 CD LYS A 602 7.739 12.759 8.201 1.00 0.93 C ATOM 1647 CE LYS A 602 7.543 12.686 6.698 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.636 13.373 5.966 1.00 1.73 N ATOM 0 H LYS A 602 4.444 10.347 8.519 1.00 0.41 H new ATOM 0 HA LYS A 602 4.561 12.176 10.704 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.973 12.541 7.721 1.00 0.59 H new ATOM 0 HB3 LYS A 602 5.363 13.735 8.943 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.887 12.000 10.016 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.608 10.986 8.614 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.754 13.803 8.515 1.00 0.93 H new ATOM 0 HD3 LYS A 602 8.708 12.334 8.461 1.00 0.93 H new ATOM 0 HE2 LYS A 602 7.498 11.642 6.388 1.00 1.49 H new ATOM 0 HE3 LYS A 602 6.588 13.139 6.434 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 8.467 13.302 4.942 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.663 14.375 6.243 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 9.545 12.925 6.199 1.00 1.73 H new ATOM 1662 N LYS A 603 1.970 12.233 8.804 1.00 0.44 N ATOM 1663 CA LYS A 603 0.609 12.727 8.716 1.00 0.48 C ATOM 1664 C LYS A 603 -0.336 11.661 9.260 1.00 0.54 C ATOM 1665 O LYS A 603 -0.231 10.489 8.894 1.00 0.62 O ATOM 1666 CB LYS A 603 0.256 13.088 7.269 1.00 0.58 C ATOM 1667 CG LYS A 603 1.089 14.235 6.710 1.00 0.65 C ATOM 1668 CD LYS A 603 0.867 15.520 7.496 1.00 0.79 C ATOM 1669 CE LYS A 603 1.819 16.626 7.063 1.00 0.90 C ATOM 1670 NZ LYS A 603 1.614 17.023 5.646 1.00 1.69 N ATOM 0 H LYS A 603 2.142 11.390 8.257 1.00 0.44 H new ATOM 0 HA LYS A 603 0.509 13.635 9.311 1.00 0.48 H new ATOM 0 HB2 LYS A 603 0.393 12.209 6.639 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -0.799 13.356 7.216 1.00 0.58 H new ATOM 0 HG2 LYS A 603 2.145 13.967 6.739 1.00 0.65 H new ATOM 0 HG3 LYS A 603 0.830 14.398 5.664 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -0.162 15.854 7.361 1.00 0.79 H new ATOM 0 HD3 LYS A 603 1.001 15.322 8.559 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.679 17.495 7.706 1.00 0.90 H new ATOM 0 HE3 LYS A 603 2.847 16.291 7.199 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 2.249 17.813 5.411 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 1.822 16.215 5.025 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 0.627 17.320 5.508 1.00 1.69 H new ATOM 1684 N PRO A 604 -1.251 12.054 10.159 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.125 11.115 10.871 1.00 0.81 C ATOM 1686 C PRO A 604 -3.158 10.450 9.968 1.00 0.80 C ATOM 1687 O PRO A 604 -3.392 10.885 8.838 1.00 1.21 O ATOM 1688 CB PRO A 604 -2.824 11.994 11.909 1.00 1.01 C ATOM 1689 CG PRO A 604 -2.803 13.359 11.317 1.00 1.04 C ATOM 1690 CD PRO A 604 -1.517 13.452 10.545 1.00 0.82 C ATOM 0 HA PRO A 604 -1.553 10.289 11.294 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -3.844 11.657 12.092 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -2.303 11.968 12.866 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -3.662 13.515 10.665 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -2.849 14.123 12.094 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -1.617 14.098 9.673 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -0.711 13.861 11.154 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.777 9.402 10.487 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.776 8.683 9.746 1.00 0.80 C ATOM 1700 C GLY A 605 -5.881 8.184 10.647 1.00 0.84 C ATOM 1701 O GLY A 605 -5.750 8.204 11.872 1.00 1.23 O ATOM 0 H GLY A 605 -3.598 9.037 11.422 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -5.197 9.331 8.977 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -4.314 7.839 9.234 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.961 7.738 10.039 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.107 7.221 10.771 1.00 1.10 C ATOM 1707 C LYS A 606 -7.875 5.766 11.170 1.00 0.81 C ATOM 1708 O LYS A 606 -6.935 5.126 10.693 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.371 7.336 9.916 1.00 1.50 C ATOM 1710 CG LYS A 606 -9.774 8.771 9.614 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.977 8.839 8.682 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.607 8.466 7.252 1.00 2.84 C ATOM 1713 NZ LYS A 606 -9.682 9.458 6.640 1.00 3.47 N ATOM 0 H LYS A 606 -7.073 7.722 9.025 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.236 7.813 11.677 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.213 6.806 8.976 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.193 6.837 10.429 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -10.007 9.286 10.546 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -8.933 9.296 9.161 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -11.755 8.167 9.043 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -11.393 9.846 8.699 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -10.140 7.481 7.243 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -11.513 8.395 6.650 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -9.602 9.274 5.619 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -10.053 10.418 6.791 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -8.744 9.376 7.081 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.713 5.264 12.070 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.645 3.877 12.526 1.00 0.48 C ATOM 1729 C ASN A 607 -8.798 2.892 11.369 1.00 0.43 C ATOM 1730 O ASN A 607 -9.710 3.010 10.547 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.735 3.634 13.575 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.732 2.220 14.118 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.434 1.343 13.614 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -8.941 1.990 15.154 1.00 1.33 N ATOM 0 H ASN A 607 -9.460 5.806 12.505 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.662 3.710 12.967 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.600 4.334 14.400 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.709 3.845 13.134 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -8.897 1.057 15.565 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.375 2.745 15.541 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.900 1.914 11.325 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.848 0.951 10.234 1.00 0.22 C ATOM 1743 C VAL A 608 -8.758 -0.259 10.494 1.00 0.21 C ATOM 1744 O VAL A 608 -9.211 -0.913 9.556 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.389 0.487 9.989 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.317 -0.599 8.926 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.518 1.674 9.597 1.00 0.27 C ATOM 0 H VAL A 608 -7.190 1.768 12.043 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.216 1.452 9.339 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.013 0.062 10.920 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.279 -0.899 8.782 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.902 -1.461 9.246 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.718 -0.217 7.987 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.496 1.335 9.428 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.907 2.125 8.684 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.527 2.413 10.399 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.041 -0.548 11.759 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.926 -1.662 12.107 1.00 0.33 C ATOM 1759 C ALA A 609 -11.324 -1.453 11.523 1.00 0.32 C ATOM 1760 O ALA A 609 -11.980 -2.398 11.068 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.998 -1.839 13.616 1.00 0.44 C ATOM 0 H ALA A 609 -8.675 -0.032 12.559 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.510 -2.571 11.673 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.660 -2.671 13.854 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.001 -2.046 14.006 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.384 -0.927 14.071 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.764 -0.201 11.512 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.041 0.156 10.913 1.00 0.35 C ATOM 1769 C ALA A 610 -13.036 -0.169 9.424 1.00 0.30 C ATOM 1770 O ALA A 610 -14.077 -0.455 8.830 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.331 1.630 11.139 1.00 0.40 C ATOM 0 H ALA A 610 -11.253 0.585 11.913 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.829 -0.428 11.389 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.289 1.886 10.686 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.369 1.833 12.209 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.543 2.230 10.684 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.847 -0.132 8.833 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.674 -0.440 7.423 1.00 0.23 C ATOM 1779 C ILE A 611 -11.855 -1.940 7.189 1.00 0.22 C ATOM 1780 O ILE A 611 -12.336 -2.359 6.139 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.289 0.023 6.913 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.143 1.532 7.120 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.116 -0.325 5.440 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.787 2.071 6.727 1.00 0.23 C ATOM 0 H ILE A 611 -10.982 0.111 9.316 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.434 0.103 6.860 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.515 -0.494 7.479 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.910 2.045 6.540 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.327 1.765 8.169 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.136 0.009 5.100 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.197 -1.404 5.309 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.891 0.171 4.856 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.758 3.147 6.902 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.015 1.586 7.325 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.608 1.870 5.671 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.475 -2.751 8.180 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.698 -4.196 8.108 1.00 0.24 C ATOM 1798 C ILE A 612 -13.187 -4.479 7.994 1.00 0.27 C ATOM 1799 O ILE A 612 -13.624 -5.283 7.167 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.167 -4.939 9.358 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.714 -4.565 9.651 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.289 -6.444 9.159 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.190 -5.126 10.956 1.00 0.31 C ATOM 0 H ILE A 612 -11.016 -2.435 9.034 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.156 -4.555 7.233 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.771 -4.637 10.213 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.085 -4.921 8.835 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.625 -3.479 9.671 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -10.913 -6.960 10.043 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.335 -6.707 9.003 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.706 -6.744 8.288 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.154 -4.818 11.094 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.794 -4.750 11.782 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.245 -6.214 10.932 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.968 -3.786 8.810 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.417 -3.924 8.767 1.00 0.35 C ATOM 1817 C GLN A 613 -15.963 -3.344 7.465 1.00 0.34 C ATOM 1818 O GLN A 613 -16.979 -3.800 6.942 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.061 -3.251 9.979 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.632 -3.868 11.301 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.804 -5.377 11.317 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -14.889 -6.121 10.964 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -16.978 -5.837 11.715 1.00 2.31 N ATOM 0 H GLN A 613 -13.625 -3.125 9.507 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.667 -4.984 8.802 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.804 -2.192 9.979 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.145 -3.315 9.890 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.587 -3.622 11.492 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.216 -3.430 12.110 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.711 -5.187 12.000 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.151 -6.842 11.737 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.258 -2.351 6.942 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.625 -1.738 5.671 1.00 0.33 C ATOM 1834 C ASP A 614 -15.467 -2.757 4.544 1.00 0.30 C ATOM 1835 O ASP A 614 -16.314 -2.851 3.660 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.766 -0.501 5.393 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.378 0.414 4.349 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -15.737 1.561 4.678 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.518 -0.022 3.187 1.00 1.09 O ATOM 0 H ASP A 614 -14.427 -1.951 7.378 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.666 -1.420 5.725 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.626 0.055 6.320 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.778 -0.817 5.059 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.388 -3.539 4.598 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.173 -4.627 3.650 1.00 0.27 C ATOM 1846 C ILE A 615 -15.296 -5.647 3.754 1.00 0.32 C ATOM 1847 O ILE A 615 -15.821 -6.114 2.748 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.835 -5.341 3.914 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.686 -4.356 3.766 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.653 -6.520 2.963 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.362 -4.904 4.224 1.00 0.18 C ATOM 0 H ILE A 615 -13.648 -3.436 5.292 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.154 -4.191 2.651 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.842 -5.728 4.933 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.605 -4.059 2.720 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.914 -3.456 4.336 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.701 -7.009 3.168 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.465 -7.232 3.107 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.663 -6.162 1.934 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.589 -4.147 4.089 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.425 -5.175 5.278 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.111 -5.787 3.637 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.664 -5.974 4.987 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.762 -6.905 5.242 1.00 0.46 C ATOM 1865 C HIS A 616 -18.084 -6.345 4.720 1.00 0.44 C ATOM 1866 O HIS A 616 -19.012 -7.094 4.417 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.874 -7.233 6.735 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.796 -8.148 7.239 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.657 -9.453 6.815 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.798 -7.940 8.132 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.625 -10.005 7.425 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.089 -9.109 8.227 1.00 0.82 N ATOM 0 H HIS A 616 -15.219 -5.609 5.829 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.543 -7.829 4.706 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.844 -6.304 7.304 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.844 -7.692 6.924 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.599 -7.024 8.669 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.279 -11.019 7.289 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.276 -9.261 8.824 1.00 0.82 H new ATOM 1881 N SER A 617 -18.173 -5.025 4.646 1.00 0.45 N ATOM 1882 CA SER A 617 -19.326 -4.365 4.062 1.00 0.51 C ATOM 1883 C SER A 617 -19.306 -4.482 2.535 1.00 0.49 C ATOM 1884 O SER A 617 -20.351 -4.449 1.883 1.00 0.57 O ATOM 1885 CB SER A 617 -19.354 -2.892 4.476 1.00 0.58 C ATOM 1886 OG SER A 617 -19.346 -2.755 5.890 1.00 1.18 O ATOM 0 H SER A 617 -17.453 -4.388 4.987 1.00 0.45 H new ATOM 0 HA SER A 617 -20.226 -4.857 4.431 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.492 -2.376 4.053 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.244 -2.413 4.067 1.00 0.58 H new ATOM 0 HG SER A 617 -18.500 -3.097 6.247 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.113 -4.621 1.971 1.00 0.49 N ATOM 1893 CA GLN A 618 -17.953 -4.707 0.526 1.00 0.58 C ATOM 1894 C GLN A 618 -18.023 -6.154 0.056 1.00 1.36 C ATOM 1895 O GLN A 618 -17.020 -6.871 0.074 1.00 2.14 O ATOM 1896 CB GLN A 618 -16.622 -4.094 0.094 1.00 1.70 C ATOM 1897 CG GLN A 618 -16.451 -2.642 0.503 1.00 2.78 C ATOM 1898 CD GLN A 618 -15.077 -2.099 0.169 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -14.461 -2.496 -0.819 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -14.579 -1.204 1.002 1.00 4.68 N ATOM 0 H GLN A 618 -17.240 -4.677 2.495 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.769 -4.148 0.069 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -15.808 -4.680 0.521 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -16.534 -4.169 -0.990 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.208 -2.037 0.004 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -16.624 -2.548 1.575 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -15.123 -0.901 1.810 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -13.650 -0.815 0.837 1.00 4.68 H new ATOM 1909 N ARG A 619 -19.217 -6.564 -0.364 1.00 2.22 N ATOM 1910 CA ARG A 619 -19.471 -7.925 -0.841 1.00 3.46 C ATOM 1911 C ARG A 619 -19.237 -8.961 0.259 1.00 4.18 C ATOM 1912 O ARG A 619 -18.862 -8.618 1.383 1.00 4.57 O ATOM 1913 CB ARG A 619 -18.609 -8.247 -2.067 1.00 4.18 C ATOM 1914 CG ARG A 619 -19.012 -7.482 -3.317 1.00 4.41 C ATOM 1915 CD ARG A 619 -18.095 -7.807 -4.485 1.00 5.33 C ATOM 1916 NE ARG A 619 -18.581 -7.234 -5.740 1.00 6.03 N ATOM 1917 CZ ARG A 619 -17.796 -6.925 -6.772 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -16.480 -7.076 -6.681 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -18.326 -6.454 -7.894 1.00 7.77 N ATOM 0 H ARG A 619 -20.040 -5.961 -0.384 1.00 2.22 H new ATOM 0 HA ARG A 619 -20.521 -7.974 -1.131 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -17.567 -8.024 -1.836 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -18.669 -9.316 -2.271 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -20.041 -7.728 -3.580 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -18.982 -6.411 -3.116 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -17.095 -7.428 -4.277 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -18.010 -8.889 -4.589 1.00 5.33 H new ATOM 0 HE ARG A 619 -19.582 -7.060 -5.831 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -16.066 -7.430 -5.819 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -15.883 -6.838 -7.473 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -19.336 -6.328 -7.968 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -17.724 -6.218 -8.683 1.00 7.77 H new ATOM 1933 N GLU A 620 -19.482 -10.228 -0.074 1.00 4.80 N ATOM 1934 CA GLU A 620 -19.310 -11.334 0.866 1.00 5.84 C ATOM 1935 C GLU A 620 -20.131 -11.108 2.131 1.00 6.68 C ATOM 1936 O GLU A 620 -19.637 -11.272 3.249 1.00 7.20 O ATOM 1937 CB GLU A 620 -17.833 -11.515 1.230 1.00 6.43 C ATOM 1938 CG GLU A 620 -16.944 -11.874 0.053 1.00 6.93 C ATOM 1939 CD GLU A 620 -17.339 -13.181 -0.597 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -17.143 -14.243 0.027 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -17.833 -13.154 -1.742 1.00 7.86 O ATOM 0 H GLU A 620 -19.804 -10.515 -0.998 1.00 4.80 H new ATOM 0 HA GLU A 620 -19.665 -12.241 0.377 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -17.466 -10.593 1.681 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -17.749 -12.296 1.986 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -16.989 -11.076 -0.688 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -15.909 -11.938 0.390 1.00 6.93 H new ATOM 1948 N ARG A 621 -21.383 -10.727 1.953 1.00 7.11 N ATOM 1949 CA ARG A 621 -22.254 -10.457 3.082 1.00 8.13 C ATOM 1950 C ARG A 621 -23.167 -11.644 3.334 1.00 9.01 C ATOM 1951 O ARG A 621 -22.875 -12.431 4.259 1.00 9.48 O ATOM 1952 CB ARG A 621 -23.076 -9.189 2.843 1.00 8.49 C ATOM 1953 CG ARG A 621 -22.225 -7.937 2.695 1.00 8.97 C ATOM 1954 CD ARG A 621 -23.083 -6.694 2.533 1.00 9.41 C ATOM 1955 NE ARG A 621 -23.910 -6.434 3.714 1.00 9.86 N ATOM 1956 CZ ARG A 621 -24.910 -5.553 3.746 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -25.212 -4.845 2.666 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -25.602 -5.373 4.864 1.00 11.00 N ATOM 1959 OXT ARG A 621 -24.159 -11.803 2.595 1.00 9.43 O ATOM 0 H ARG A 621 -21.818 -10.598 1.040 1.00 7.11 H new ATOM 0 HA ARG A 621 -21.635 -10.297 3.965 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -23.678 -9.319 1.943 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -23.769 -9.052 3.673 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -21.584 -7.826 3.570 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -21.569 -8.042 1.831 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -22.441 -5.834 2.345 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -23.725 -6.809 1.660 1.00 9.41 H new ATOM 0 HE ARG A 621 -23.708 -6.960 4.565 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -24.678 -4.973 1.806 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -25.978 -4.172 2.695 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -25.369 -5.909 5.700 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -26.367 -4.699 4.887 1.00 11.00 H new TER 1973 ARG A 621