USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -3.46 K(o=-9.3,f=-14!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -5.89! C(o=-9.3!,f=-11!) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -10.3! C(o=-12!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.29 USER MOD Set 3.1: A 31 GLN : amide:sc= -3.85! C(o=-6.4!,f=-19!) USER MOD Set 3.2: A 32 THR OG1 : rot 3:sc= 0.901 USER MOD Set 3.3: A 89 GLN : amide:sc= -3.44! C(o=-6.4!,f=-6.2!) USER MOD Set 4.1: A 10 MET CE :methyl -176:sc= -2.68 (180deg=-2.65) USER MOD Set 4.2: A 70 MET CE :methyl 147:sc= -1.34 (180deg=-3.54!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 145:sc= 0.889 (180deg=0) USER MOD Set 5.2: A 9 GLN : amide:sc= -1.51 K(o=-0.62,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.389 (180deg=-0.214) USER MOD Single : A 2 THR OG1 : rot 41:sc= 0.0566 USER MOD Single : A 4 ASN : amide:sc=-0.00418 X(o=-0.0042,f=-0.029) USER MOD Single : A 6 THR OG1 : rot -9:sc= 0.904 USER MOD Single : A 7 SER OG : rot 174:sc= -5.68! USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.095 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 0.00965 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.45! C(o=-4.4!,f=-10!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.17 F(o=-1.7!,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= -5.28! C(o=-5.3!,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.071) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00351 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 56 THR OG1 : rot -97:sc= 0.287 USER MOD Single : A 60 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0134 (180deg=-0.196) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1 K(o=-1,f=-3.9!) USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= -0.203 (180deg=-0.97) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.192 -4.338 -8.560 1.00 0.00 N ATOM 2 CA MET A 1 6.234 -4.666 -7.472 1.00 0.00 C ATOM 3 C MET A 1 4.801 -4.336 -7.880 1.00 0.00 C ATOM 4 O MET A 1 4.258 -3.304 -7.489 1.00 0.00 O ATOM 5 CB MET A 1 6.621 -3.871 -6.223 1.00 0.00 C ATOM 6 CG MET A 1 6.759 -2.378 -6.470 1.00 0.00 C ATOM 7 SD MET A 1 8.475 -1.859 -6.659 1.00 0.00 S ATOM 8 CE MET A 1 8.342 -0.745 -8.055 1.00 0.00 C ATOM 0 H1 MET A 1 7.684 -5.203 -8.862 1.00 0.00 H new ATOM 0 H2 MET A 1 6.675 -3.934 -9.367 1.00 0.00 H new ATOM 0 H3 MET A 1 7.888 -3.647 -8.213 1.00 0.00 H new ATOM 0 HA MET A 1 6.280 -5.736 -7.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.869 -4.035 -5.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.565 -4.255 -5.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.202 -2.109 -7.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.308 -1.834 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.326 -0.341 -8.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.954 -1.287 -8.917 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.665 0.072 -7.805 1.00 0.00 H new ATOM 20 N THR A 2 4.194 -5.221 -8.665 1.00 0.00 N ATOM 21 CA THR A 2 2.823 -5.021 -9.120 1.00 0.00 C ATOM 22 C THR A 2 1.840 -5.234 -7.973 1.00 0.00 C ATOM 23 O THR A 2 1.815 -6.297 -7.354 1.00 0.00 O ATOM 24 CB THR A 2 2.498 -5.976 -10.268 1.00 0.00 C ATOM 25 OG1 THR A 2 2.973 -7.281 -9.985 1.00 0.00 O ATOM 26 CG2 THR A 2 3.097 -5.547 -11.591 1.00 0.00 C ATOM 0 H THR A 2 4.629 -6.081 -8.998 1.00 0.00 H new ATOM 0 HA THR A 2 2.728 -3.995 -9.476 1.00 0.00 H new ATOM 0 HB THR A 2 1.412 -5.962 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.801 -7.495 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.828 -6.268 -12.363 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.712 -4.564 -11.863 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.182 -5.500 -11.501 1.00 0.00 H new ATOM 31 N LEU A 3 1.033 -4.216 -7.693 1.00 0.00 N ATOM 32 CA LEU A 3 0.051 -4.292 -6.618 1.00 0.00 C ATOM 33 C LEU A 3 -1.181 -5.071 -7.061 1.00 0.00 C ATOM 34 O LEU A 3 -1.960 -4.600 -7.889 1.00 0.00 O ATOM 35 CB LEU A 3 -0.353 -2.886 -6.162 1.00 0.00 C ATOM 36 CG LEU A 3 -1.497 -2.834 -5.144 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.435 -1.549 -4.334 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.842 -2.951 -5.845 1.00 0.00 C ATOM 0 H LEU A 3 1.040 -3.329 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 3 0.509 -4.818 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.520 -2.397 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.641 -2.306 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.386 -3.678 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.256 -1.531 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.486 -1.501 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.519 -0.693 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.642 -2.912 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.958 -2.127 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.891 -3.898 -6.383 1.00 0.00 H new ATOM 44 N ASN A 4 -1.354 -6.262 -6.499 1.00 0.00 N ATOM 45 CA ASN A 4 -2.499 -7.098 -6.833 1.00 0.00 C ATOM 46 C ASN A 4 -3.700 -6.738 -5.965 1.00 0.00 C ATOM 47 O ASN A 4 -3.559 -6.092 -4.922 1.00 0.00 O ATOM 48 CB ASN A 4 -2.152 -8.576 -6.661 1.00 0.00 C ATOM 49 CG ASN A 4 -0.883 -8.962 -7.395 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.223 -8.682 -6.934 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.037 -9.609 -8.544 1.00 0.00 N ATOM 0 H ASN A 4 -0.718 -6.668 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.757 -6.918 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.036 -8.798 -5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.979 -9.185 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.219 -9.895 -9.082 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.973 -9.821 -8.889 1.00 0.00 H new ATOM 56 N ILE A 5 -4.881 -7.150 -6.403 1.00 0.00 N ATOM 57 CA ILE A 5 -6.103 -6.855 -5.670 1.00 0.00 C ATOM 58 C ILE A 5 -7.056 -8.044 -5.661 1.00 0.00 C ATOM 59 O ILE A 5 -6.973 -8.929 -6.514 1.00 0.00 O ATOM 60 CB ILE A 5 -6.816 -5.629 -6.267 1.00 0.00 C ATOM 61 CG1 ILE A 5 -5.824 -4.473 -6.418 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.982 -5.215 -5.387 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.113 -4.439 -7.749 1.00 0.00 C ATOM 0 H ILE A 5 -5.019 -7.687 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.814 -6.639 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.205 -5.891 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.356 -3.532 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.081 -4.540 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.476 -4.347 -5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.693 -6.038 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.615 -4.963 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.429 -3.591 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.551 -5.363 -7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.845 -4.339 -8.550 1.00 0.00 H new ATOM 67 N THR A 6 -7.960 -8.057 -4.687 1.00 0.00 N ATOM 68 CA THR A 6 -8.930 -9.137 -4.556 1.00 0.00 C ATOM 69 C THR A 6 -10.088 -8.724 -3.650 1.00 0.00 C ATOM 70 O THR A 6 -10.022 -8.884 -2.431 1.00 0.00 O ATOM 71 CB THR A 6 -8.248 -10.389 -3.996 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.280 -10.881 -4.906 1.00 0.00 O ATOM 73 CG2 THR A 6 -9.209 -11.520 -3.693 1.00 0.00 C ATOM 0 H THR A 6 -8.041 -7.330 -3.976 1.00 0.00 H new ATOM 0 HA THR A 6 -9.331 -9.358 -5.545 1.00 0.00 H new ATOM 0 HB THR A 6 -7.789 -10.069 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.358 -10.402 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.655 -12.373 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.939 -11.189 -2.954 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.726 -11.813 -4.607 1.00 0.00 H new ATOM 78 N SER A 7 -11.149 -8.196 -4.253 1.00 0.00 N ATOM 79 CA SER A 7 -12.321 -7.768 -3.496 1.00 0.00 C ATOM 80 C SER A 7 -13.358 -8.887 -3.435 1.00 0.00 C ATOM 81 O SER A 7 -13.754 -9.435 -4.464 1.00 0.00 O ATOM 82 CB SER A 7 -12.933 -6.513 -4.119 1.00 0.00 C ATOM 83 OG SER A 7 -12.150 -6.039 -5.203 1.00 0.00 O ATOM 0 H SER A 7 -11.222 -8.055 -5.261 1.00 0.00 H new ATOM 0 HA SER A 7 -12.004 -7.533 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.943 -6.733 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.019 -5.734 -3.362 1.00 0.00 H new ATOM 0 HG SER A 7 -12.615 -5.296 -5.642 1.00 0.00 H new ATOM 89 N LYS A 8 -13.780 -9.233 -2.224 1.00 0.00 N ATOM 90 CA LYS A 8 -14.756 -10.301 -2.025 1.00 0.00 C ATOM 91 C LYS A 8 -16.087 -10.007 -2.722 1.00 0.00 C ATOM 92 O LYS A 8 -16.791 -10.928 -3.134 1.00 0.00 O ATOM 93 CB LYS A 8 -14.988 -10.535 -0.527 1.00 0.00 C ATOM 94 CG LYS A 8 -15.971 -9.560 0.106 1.00 0.00 C ATOM 95 CD LYS A 8 -15.701 -9.383 1.591 1.00 0.00 C ATOM 96 CE LYS A 8 -16.425 -10.435 2.417 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.731 -9.938 2.935 1.00 0.00 N ATOM 0 H LYS A 8 -13.461 -8.789 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.343 -11.204 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.354 -11.551 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.033 -10.462 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.901 -8.595 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.989 -9.922 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.629 -9.447 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.021 -8.389 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.591 -11.323 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.794 -10.736 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.418 -10.718 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.605 -9.570 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.083 -9.178 2.318 1.00 0.00 H new ATOM 111 N GLN A 9 -16.437 -8.729 -2.846 1.00 0.00 N ATOM 112 CA GLN A 9 -17.696 -8.351 -3.486 1.00 0.00 C ATOM 113 C GLN A 9 -17.474 -7.337 -4.611 1.00 0.00 C ATOM 114 O GLN A 9 -17.271 -7.720 -5.763 1.00 0.00 O ATOM 115 CB GLN A 9 -18.693 -7.801 -2.454 1.00 0.00 C ATOM 116 CG GLN A 9 -18.054 -7.007 -1.323 1.00 0.00 C ATOM 117 CD GLN A 9 -18.680 -7.306 0.025 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.095 -8.002 0.855 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.881 -6.783 0.248 1.00 0.00 N ATOM 0 H GLN A 9 -15.874 -7.945 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.119 -9.253 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.414 -7.164 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.251 -8.634 -2.027 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.988 -7.232 -1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.147 -5.942 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.330 -6.212 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.354 -6.953 1.135 1.00 0.00 H new ATOM 126 N MET A 10 -17.520 -6.045 -4.280 1.00 0.00 N ATOM 127 CA MET A 10 -17.329 -4.992 -5.275 1.00 0.00 C ATOM 128 C MET A 10 -16.109 -5.279 -6.140 1.00 0.00 C ATOM 129 O MET A 10 -14.970 -5.170 -5.684 1.00 0.00 O ATOM 130 CB MET A 10 -17.180 -3.634 -4.592 1.00 0.00 C ATOM 131 CG MET A 10 -16.143 -3.621 -3.483 1.00 0.00 C ATOM 132 SD MET A 10 -16.404 -2.302 -2.285 1.00 0.00 S ATOM 133 CE MET A 10 -14.716 -1.996 -1.766 1.00 0.00 C ATOM 0 H MET A 10 -17.687 -5.705 -3.333 1.00 0.00 H new ATOM 0 HA MET A 10 -18.209 -4.969 -5.917 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.909 -2.889 -5.340 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.144 -3.336 -4.180 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.160 -4.581 -2.967 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.151 -3.513 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.709 -1.252 -0.970 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.274 -2.923 -1.400 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.136 -1.627 -2.612 1.00 0.00 H new ATOM 143 N ASP A 11 -16.356 -5.657 -7.388 1.00 0.00 N ATOM 144 CA ASP A 11 -15.280 -5.974 -8.314 1.00 0.00 C ATOM 145 C ASP A 11 -14.305 -4.811 -8.457 1.00 0.00 C ATOM 146 O ASP A 11 -14.465 -3.771 -7.818 1.00 0.00 O ATOM 147 CB ASP A 11 -15.850 -6.350 -9.683 1.00 0.00 C ATOM 148 CG ASP A 11 -16.881 -5.353 -10.174 1.00 0.00 C ATOM 149 OD1 ASP A 11 -18.060 -5.475 -9.782 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.508 -4.448 -10.951 1.00 0.00 O ATOM 0 H ASP A 11 -17.293 -5.751 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.733 -6.824 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.037 -6.414 -10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.304 -7.339 -9.625 1.00 0.00 H new ATOM 155 N ILE A 12 -13.295 -4.996 -9.301 1.00 0.00 N ATOM 156 CA ILE A 12 -12.291 -3.962 -9.531 1.00 0.00 C ATOM 157 C ILE A 12 -12.587 -3.198 -10.817 1.00 0.00 C ATOM 158 O ILE A 12 -12.895 -3.792 -11.849 1.00 0.00 O ATOM 159 CB ILE A 12 -10.851 -4.537 -9.612 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.819 -6.017 -9.212 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.902 -3.731 -8.730 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.289 -6.272 -7.796 1.00 0.00 C ATOM 0 H ILE A 12 -13.150 -5.852 -9.837 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.344 -3.291 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.520 -4.460 -10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.444 -6.585 -9.901 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.802 -6.392 -9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.898 -4.149 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.888 -2.694 -9.064 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.242 -3.774 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.239 -7.340 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.649 -5.732 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.317 -5.928 -7.686 1.00 0.00 H new ATOM 166 N THR A 13 -12.485 -1.878 -10.741 1.00 0.00 N ATOM 167 CA THR A 13 -12.735 -1.019 -11.890 1.00 0.00 C ATOM 168 C THR A 13 -11.706 0.110 -11.942 1.00 0.00 C ATOM 169 O THR A 13 -10.904 0.268 -11.022 1.00 0.00 O ATOM 170 CB THR A 13 -14.160 -0.448 -11.839 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.150 0.919 -11.466 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.075 -1.177 -10.875 1.00 0.00 C ATOM 0 H THR A 13 -12.229 -1.377 -9.890 1.00 0.00 H new ATOM 0 HA THR A 13 -12.640 -1.617 -12.796 1.00 0.00 H new ATOM 0 HB THR A 13 -14.547 -0.579 -12.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.069 1.258 -11.443 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.063 -0.718 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.156 -2.223 -11.170 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.665 -1.115 -9.867 1.00 0.00 H new ATOM 177 N PRO A 14 -11.711 0.909 -13.023 1.00 0.00 N ATOM 178 CA PRO A 14 -10.770 2.021 -13.198 1.00 0.00 C ATOM 179 C PRO A 14 -10.484 2.783 -11.905 1.00 0.00 C ATOM 180 O PRO A 14 -9.333 3.097 -11.607 1.00 0.00 O ATOM 181 CB PRO A 14 -11.500 2.913 -14.194 1.00 0.00 C ATOM 182 CG PRO A 14 -12.261 1.962 -15.053 1.00 0.00 C ATOM 183 CD PRO A 14 -12.633 0.793 -14.171 1.00 0.00 C ATOM 0 HA PRO A 14 -9.789 1.678 -13.526 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.166 3.612 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.801 3.508 -14.782 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.152 2.437 -15.464 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.657 1.634 -15.898 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.675 0.847 -13.854 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.506 -0.157 -14.691 1.00 0.00 H new ATOM 191 N ALA A 15 -11.533 3.082 -11.144 1.00 0.00 N ATOM 192 CA ALA A 15 -11.377 3.812 -9.890 1.00 0.00 C ATOM 193 C ALA A 15 -10.394 3.108 -8.961 1.00 0.00 C ATOM 194 O ALA A 15 -9.221 3.475 -8.900 1.00 0.00 O ATOM 195 CB ALA A 15 -12.725 3.991 -9.209 1.00 0.00 C ATOM 0 H ALA A 15 -12.495 2.832 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.970 4.797 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.591 4.537 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.392 4.551 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.159 3.014 -8.999 1.00 0.00 H new ATOM 201 N ILE A 16 -10.870 2.090 -8.243 1.00 0.00 N ATOM 202 CA ILE A 16 -10.012 1.342 -7.329 1.00 0.00 C ATOM 203 C ILE A 16 -8.714 0.948 -8.022 1.00 0.00 C ATOM 204 O ILE A 16 -7.635 1.316 -7.571 1.00 0.00 O ATOM 205 CB ILE A 16 -10.695 0.073 -6.775 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.664 -0.532 -7.798 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.401 0.382 -5.465 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.086 -0.021 -7.697 1.00 0.00 C ATOM 0 H ILE A 16 -11.837 1.768 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.805 2.004 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.923 -0.672 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.288 -0.327 -8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.671 -1.615 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.878 -0.522 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.675 0.741 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.158 1.149 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.701 -0.502 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.486 -0.250 -6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.097 1.058 -7.851 1.00 0.00 H new ATOM 212 N ARG A 17 -8.820 0.222 -9.137 1.00 0.00 N ATOM 213 CA ARG A 17 -7.639 -0.188 -9.893 1.00 0.00 C ATOM 214 C ARG A 17 -6.613 0.935 -9.899 1.00 0.00 C ATOM 215 O ARG A 17 -5.514 0.809 -9.359 1.00 0.00 O ATOM 216 CB ARG A 17 -8.016 -0.516 -11.335 1.00 0.00 C ATOM 217 CG ARG A 17 -9.051 -1.614 -11.470 1.00 0.00 C ATOM 218 CD ARG A 17 -8.414 -2.946 -11.839 1.00 0.00 C ATOM 219 NE ARG A 17 -8.704 -3.328 -13.220 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.902 -3.068 -14.253 1.00 0.00 C ATOM 221 NH1 ARG A 17 -6.754 -2.425 -14.072 1.00 0.00 N ATOM 222 NH2 ARG A 17 -8.250 -3.454 -15.472 1.00 0.00 N ATOM 0 H ARG A 17 -9.706 -0.091 -9.533 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.219 -1.074 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.395 0.387 -11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.117 -0.811 -11.876 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.595 -1.719 -10.531 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.780 -1.336 -12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.335 -2.883 -11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.778 -3.721 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.575 -3.825 -13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.479 -2.126 -13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.147 -2.231 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.130 -3.949 -15.619 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.638 -3.256 -16.264 1.00 0.00 H new ATOM 236 N GLU A 18 -7.008 2.045 -10.509 1.00 0.00 N ATOM 237 CA GLU A 18 -6.159 3.225 -10.594 1.00 0.00 C ATOM 238 C GLU A 18 -5.760 3.708 -9.201 1.00 0.00 C ATOM 239 O GLU A 18 -4.612 4.084 -8.971 1.00 0.00 O ATOM 240 CB GLU A 18 -6.888 4.343 -11.346 1.00 0.00 C ATOM 241 CG GLU A 18 -6.067 5.614 -11.492 1.00 0.00 C ATOM 242 CD GLU A 18 -6.109 6.484 -10.251 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.113 6.413 -9.511 1.00 0.00 O ATOM 244 OE2 GLU A 18 -5.140 7.237 -10.020 1.00 0.00 O ATOM 0 H GLU A 18 -7.919 2.152 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.253 2.957 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.164 3.983 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.815 4.577 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.032 5.350 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.437 6.185 -12.344 1.00 0.00 H new ATOM 251 N HIS A 19 -6.712 3.682 -8.272 1.00 0.00 N ATOM 252 CA HIS A 19 -6.457 4.099 -6.902 1.00 0.00 C ATOM 253 C HIS A 19 -5.419 3.178 -6.276 1.00 0.00 C ATOM 254 O HIS A 19 -4.275 3.568 -6.052 1.00 0.00 O ATOM 255 CB HIS A 19 -7.760 4.055 -6.109 1.00 0.00 C ATOM 256 CG HIS A 19 -7.786 4.949 -4.922 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.238 6.213 -4.894 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.332 4.745 -3.715 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.450 6.750 -3.704 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.112 5.877 -2.968 1.00 0.00 N ATOM 0 H HIS A 19 -7.669 3.375 -8.447 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.072 5.119 -6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.583 4.325 -6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.937 3.031 -5.781 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.747 6.663 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.850 3.855 -3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.135 7.734 -3.389 1.00 0.00 H new ATOM 269 N LEU A 20 -5.831 1.938 -6.031 1.00 0.00 N ATOM 270 CA LEU A 20 -4.957 0.912 -5.468 1.00 0.00 C ATOM 271 C LEU A 20 -3.575 0.971 -6.128 1.00 0.00 C ATOM 272 O LEU A 20 -2.545 1.080 -5.450 1.00 0.00 O ATOM 273 CB LEU A 20 -5.604 -0.462 -5.672 1.00 0.00 C ATOM 274 CG LEU A 20 -7.107 -0.503 -5.339 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.732 -1.845 -5.673 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.336 -0.156 -3.881 1.00 0.00 C ATOM 0 H LEU A 20 -6.780 1.615 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.823 1.087 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.464 -0.768 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.085 -1.192 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.598 0.244 -5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.792 -1.825 -5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.616 -2.045 -6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.237 -2.629 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.403 -0.190 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.813 -0.875 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.956 0.846 -3.681 1.00 0.00 H new ATOM 282 N GLU A 21 -3.564 0.940 -7.460 1.00 0.00 N ATOM 283 CA GLU A 21 -2.319 1.026 -8.213 1.00 0.00 C ATOM 284 C GLU A 21 -1.606 2.327 -7.870 1.00 0.00 C ATOM 285 O GLU A 21 -0.429 2.328 -7.500 1.00 0.00 O ATOM 286 CB GLU A 21 -2.596 0.964 -9.716 1.00 0.00 C ATOM 287 CG GLU A 21 -3.152 -0.372 -10.179 1.00 0.00 C ATOM 288 CD GLU A 21 -3.726 -0.309 -11.581 1.00 0.00 C ATOM 289 OE1 GLU A 21 -2.934 -0.283 -12.546 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.968 -0.287 -11.715 1.00 0.00 O ATOM 0 H GLU A 21 -4.402 0.856 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.685 0.182 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.301 1.752 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.672 1.170 -10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.361 -1.121 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.928 -0.698 -9.487 1.00 0.00 H new ATOM 297 N GLU A 22 -2.338 3.434 -7.978 1.00 0.00 N ATOM 298 CA GLU A 22 -1.789 4.746 -7.659 1.00 0.00 C ATOM 299 C GLU A 22 -1.178 4.728 -6.263 1.00 0.00 C ATOM 300 O GLU A 22 -0.098 5.276 -6.039 1.00 0.00 O ATOM 301 CB GLU A 22 -2.875 5.823 -7.744 1.00 0.00 C ATOM 302 CG GLU A 22 -2.380 7.216 -7.394 1.00 0.00 C ATOM 303 CD GLU A 22 -3.511 8.206 -7.201 1.00 0.00 C ATOM 304 OE1 GLU A 22 -4.126 8.201 -6.114 1.00 0.00 O ATOM 305 OE2 GLU A 22 -3.784 8.986 -8.138 1.00 0.00 O ATOM 0 H GLU A 22 -3.311 3.447 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.013 4.983 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.284 5.835 -8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.691 5.557 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.785 7.167 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.721 7.573 -8.186 1.00 0.00 H new ATOM 312 N ARG A 23 -1.869 4.071 -5.331 1.00 0.00 N ATOM 313 CA ARG A 23 -1.381 3.958 -3.966 1.00 0.00 C ATOM 314 C ARG A 23 -0.026 3.268 -3.970 1.00 0.00 C ATOM 315 O ARG A 23 0.918 3.720 -3.317 1.00 0.00 O ATOM 316 CB ARG A 23 -2.370 3.180 -3.100 1.00 0.00 C ATOM 317 CG ARG A 23 -3.638 3.957 -2.777 1.00 0.00 C ATOM 318 CD ARG A 23 -3.336 5.378 -2.326 1.00 0.00 C ATOM 319 NE ARG A 23 -4.344 5.884 -1.398 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.294 7.089 -0.834 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.289 7.913 -1.101 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.252 7.471 -0.001 1.00 0.00 N ATOM 0 H ARG A 23 -2.764 3.612 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.277 4.957 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.640 2.256 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.880 2.897 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.280 3.985 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.192 3.438 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.357 5.406 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.285 6.031 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.132 5.279 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.549 7.625 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.256 8.835 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.027 6.842 0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.214 8.394 0.431 1.00 0.00 H new ATOM 336 N LEU A 24 0.077 2.185 -4.741 1.00 0.00 N ATOM 337 CA LEU A 24 1.339 1.464 -4.853 1.00 0.00 C ATOM 338 C LEU A 24 2.398 2.384 -5.444 1.00 0.00 C ATOM 339 O LEU A 24 3.500 2.510 -4.908 1.00 0.00 O ATOM 340 CB LEU A 24 1.185 0.220 -5.730 1.00 0.00 C ATOM 341 CG LEU A 24 2.484 -0.540 -6.006 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.791 -1.499 -4.865 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.394 -1.289 -7.327 1.00 0.00 C ATOM 0 H LEU A 24 -0.689 1.794 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 24 1.644 1.142 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.479 -0.459 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.746 0.517 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 24 3.298 0.181 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.718 -2.032 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.899 -0.938 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.976 -2.216 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.327 -1.824 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.570 -2.001 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.221 -0.580 -8.136 1.00 0.00 H new ATOM 349 N ALA A 25 2.045 3.039 -6.548 1.00 0.00 N ATOM 350 CA ALA A 25 2.954 3.966 -7.207 1.00 0.00 C ATOM 351 C ALA A 25 3.361 5.073 -6.245 1.00 0.00 C ATOM 352 O ALA A 25 4.507 5.522 -6.244 1.00 0.00 O ATOM 353 CB ALA A 25 2.304 4.553 -8.452 1.00 0.00 C ATOM 0 H ALA A 25 1.137 2.943 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 25 3.848 3.423 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.997 5.244 -8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.053 3.750 -9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.396 5.086 -8.171 1.00 0.00 H new ATOM 359 N LYS A 26 2.414 5.493 -5.411 1.00 0.00 N ATOM 360 CA LYS A 26 2.672 6.532 -4.426 1.00 0.00 C ATOM 361 C LYS A 26 3.632 6.011 -3.363 1.00 0.00 C ATOM 362 O LYS A 26 4.534 6.721 -2.922 1.00 0.00 O ATOM 363 CB LYS A 26 1.364 6.993 -3.778 1.00 0.00 C ATOM 364 CG LYS A 26 1.225 8.505 -3.698 1.00 0.00 C ATOM 365 CD LYS A 26 0.764 9.094 -5.022 1.00 0.00 C ATOM 366 CE LYS A 26 1.940 9.399 -5.938 1.00 0.00 C ATOM 367 NZ LYS A 26 1.847 10.766 -6.522 1.00 0.00 N ATOM 0 H LYS A 26 1.462 5.128 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 26 3.127 7.386 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.525 6.589 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.300 6.577 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.512 8.765 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.182 8.945 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.088 8.396 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.199 10.008 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.870 9.306 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.976 8.663 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.666 10.936 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.971 10.847 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.838 11.470 -5.757 1.00 0.00 H new ATOM 381 N LEU A 27 3.438 4.753 -2.971 1.00 0.00 N ATOM 382 CA LEU A 27 4.298 4.126 -1.975 1.00 0.00 C ATOM 383 C LEU A 27 5.623 3.693 -2.602 1.00 0.00 C ATOM 384 O LEU A 27 6.555 3.308 -1.899 1.00 0.00 O ATOM 385 CB LEU A 27 3.595 2.927 -1.326 1.00 0.00 C ATOM 386 CG LEU A 27 2.814 3.252 -0.049 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.288 1.978 0.590 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.685 4.027 0.935 1.00 0.00 C ATOM 0 H LEU A 27 2.695 4.152 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 27 4.508 4.861 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.910 2.489 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.342 2.168 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 27 1.964 3.880 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.736 2.227 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.627 1.466 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.124 1.326 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.110 4.247 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.557 3.428 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.011 4.960 0.475 1.00 0.00 H new ATOM 394 N GLY A 28 5.704 3.767 -3.930 1.00 0.00 N ATOM 395 CA GLY A 28 6.925 3.391 -4.617 1.00 0.00 C ATOM 396 C GLY A 28 8.093 4.277 -4.230 1.00 0.00 C ATOM 397 O GLY A 28 9.237 3.826 -4.187 1.00 0.00 O ATOM 0 H GLY A 28 4.947 4.080 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.166 2.353 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.767 3.450 -5.694 1.00 0.00 H new ATOM 401 N LYS A 29 7.800 5.543 -3.945 1.00 0.00 N ATOM 402 CA LYS A 29 8.833 6.498 -3.556 1.00 0.00 C ATOM 403 C LYS A 29 9.258 6.298 -2.102 1.00 0.00 C ATOM 404 O LYS A 29 10.233 6.892 -1.644 1.00 0.00 O ATOM 405 CB LYS A 29 8.347 7.937 -3.767 1.00 0.00 C ATOM 406 CG LYS A 29 7.286 8.400 -2.775 1.00 0.00 C ATOM 407 CD LYS A 29 7.617 9.770 -2.202 1.00 0.00 C ATOM 408 CE LYS A 29 7.363 9.825 -0.704 1.00 0.00 C ATOM 409 NZ LYS A 29 8.479 9.216 0.072 1.00 0.00 N ATOM 0 H LYS A 29 6.857 5.931 -3.976 1.00 0.00 H new ATOM 0 HA LYS A 29 9.700 6.320 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.203 8.609 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.946 8.027 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.315 8.436 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.204 7.676 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.662 10.007 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.016 10.529 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.231 10.862 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.434 9.303 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.095 8.723 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.989 8.537 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.133 9.962 0.384 1.00 0.00 H new ATOM 423 N TRP A 30 8.524 5.456 -1.381 1.00 0.00 N ATOM 424 CA TRP A 30 8.827 5.176 0.014 1.00 0.00 C ATOM 425 C TRP A 30 9.959 4.161 0.121 1.00 0.00 C ATOM 426 O TRP A 30 9.717 2.960 0.042 1.00 0.00 O ATOM 427 CB TRP A 30 7.578 4.652 0.722 1.00 0.00 C ATOM 428 CG TRP A 30 6.721 5.738 1.298 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.751 6.453 0.656 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.765 6.234 2.636 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.186 7.362 1.520 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.795 7.245 2.743 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.533 5.917 3.755 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.574 7.942 3.929 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.316 6.608 4.930 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.342 7.611 5.009 1.00 0.00 C ATOM 0 H TRP A 30 7.713 4.955 -1.744 1.00 0.00 H new ATOM 0 HA TRP A 30 9.147 6.100 0.496 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.987 4.069 0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.879 3.975 1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.469 6.324 -0.378 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.438 8.015 1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.285 5.144 3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.823 8.716 3.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.907 6.371 5.802 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.195 8.133 5.943 1.00 0.00 H new ATOM 447 N GLN A 31 11.195 4.661 0.284 1.00 0.00 N ATOM 448 CA GLN A 31 12.395 3.816 0.388 1.00 0.00 C ATOM 449 C GLN A 31 12.078 2.414 0.908 1.00 0.00 C ATOM 450 O GLN A 31 12.290 2.105 2.080 1.00 0.00 O ATOM 451 CB GLN A 31 13.443 4.483 1.288 1.00 0.00 C ATOM 452 CG GLN A 31 12.928 4.863 2.668 1.00 0.00 C ATOM 453 CD GLN A 31 11.977 6.043 2.633 1.00 0.00 C ATOM 454 OE1 GLN A 31 10.865 5.975 3.158 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.410 7.133 2.011 1.00 0.00 N ATOM 0 H GLN A 31 11.390 5.660 0.347 1.00 0.00 H new ATOM 0 HA GLN A 31 12.795 3.708 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.291 3.807 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.815 5.379 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.421 4.006 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.773 5.102 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.339 7.145 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.814 7.959 1.954 1.00 0.00 H new ATOM 462 N THR A 32 11.555 1.577 0.019 1.00 0.00 N ATOM 463 CA THR A 32 11.188 0.220 0.361 1.00 0.00 C ATOM 464 C THR A 32 10.963 -0.597 -0.912 1.00 0.00 C ATOM 465 O THR A 32 10.834 -0.039 -2.001 1.00 0.00 O ATOM 466 CB THR A 32 9.920 0.244 1.225 1.00 0.00 C ATOM 467 OG1 THR A 32 10.215 0.717 2.527 1.00 0.00 O ATOM 468 CG2 THR A 32 9.250 -1.102 1.375 1.00 0.00 C ATOM 0 H THR A 32 11.376 1.825 -0.954 1.00 0.00 H new ATOM 0 HA THR A 32 11.993 -0.249 0.927 1.00 0.00 H new ATOM 0 HB THR A 32 9.235 0.907 0.697 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.161 0.968 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.362 -0.999 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.961 -1.476 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.942 -1.803 1.841 1.00 0.00 H new ATOM 473 N GLN A 33 10.899 -1.911 -0.762 1.00 0.00 N ATOM 474 CA GLN A 33 10.669 -2.803 -1.885 1.00 0.00 C ATOM 475 C GLN A 33 9.483 -3.684 -1.569 1.00 0.00 C ATOM 476 O GLN A 33 9.609 -4.710 -0.900 1.00 0.00 O ATOM 477 CB GLN A 33 11.899 -3.659 -2.181 1.00 0.00 C ATOM 478 CG GLN A 33 12.663 -4.097 -0.942 1.00 0.00 C ATOM 479 CD GLN A 33 13.654 -3.045 -0.471 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.437 -1.848 -0.651 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.752 -3.486 0.133 1.00 0.00 N ATOM 0 H GLN A 33 11.004 -2.385 0.135 1.00 0.00 H new ATOM 0 HA GLN A 33 10.468 -2.206 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.587 -4.545 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.571 -3.098 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.957 -4.312 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.195 -5.024 -1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.895 -4.487 0.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.452 -2.823 0.466 1.00 0.00 H new ATOM 488 N LEU A 34 8.326 -3.249 -2.021 1.00 0.00 N ATOM 489 CA LEU A 34 7.096 -3.960 -1.758 1.00 0.00 C ATOM 490 C LEU A 34 7.157 -5.405 -2.233 1.00 0.00 C ATOM 491 O LEU A 34 6.893 -5.703 -3.399 1.00 0.00 O ATOM 492 CB LEU A 34 5.919 -3.234 -2.405 1.00 0.00 C ATOM 493 CG LEU A 34 5.693 -1.795 -1.923 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.126 -1.629 -0.471 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.438 -0.816 -2.818 1.00 0.00 C ATOM 0 H LEU A 34 8.213 -2.401 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 34 6.954 -3.982 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.071 -3.219 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.012 -3.809 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 34 4.626 -1.580 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.955 -0.600 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.547 -2.303 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.186 -1.865 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.269 0.201 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.505 -1.037 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.075 -0.910 -3.841 1.00 0.00 H new ATOM 501 N ILE A 35 7.491 -6.298 -1.311 1.00 0.00 N ATOM 502 CA ILE A 35 7.574 -7.716 -1.608 1.00 0.00 C ATOM 503 C ILE A 35 6.179 -8.298 -1.815 1.00 0.00 C ATOM 504 O ILE A 35 5.498 -8.657 -0.855 1.00 0.00 O ATOM 505 CB ILE A 35 8.285 -8.473 -0.475 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.747 -8.023 -0.394 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.186 -9.982 -0.691 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.617 -8.943 0.424 1.00 0.00 C ATOM 0 H ILE A 35 7.710 -6.059 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 35 8.153 -7.833 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 35 7.796 -8.242 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.154 -7.954 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.787 -7.022 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.695 -10.500 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.137 -10.279 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.655 -10.245 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.638 -8.562 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.235 -8.993 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.608 -9.940 -0.017 1.00 0.00 H new ATOM 512 N SER A 36 5.758 -8.381 -3.071 1.00 0.00 N ATOM 513 CA SER A 36 4.440 -8.914 -3.397 1.00 0.00 C ATOM 514 C SER A 36 3.348 -8.130 -2.673 1.00 0.00 C ATOM 515 O SER A 36 3.028 -8.406 -1.517 1.00 0.00 O ATOM 516 CB SER A 36 4.369 -10.395 -3.022 1.00 0.00 C ATOM 517 OG SER A 36 3.650 -11.136 -3.993 1.00 0.00 O ATOM 0 H SER A 36 6.308 -8.087 -3.879 1.00 0.00 H new ATOM 0 HA SER A 36 4.278 -8.812 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.378 -10.797 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.889 -10.504 -2.049 1.00 0.00 H new ATOM 0 HG SER A 36 3.621 -12.079 -3.729 1.00 0.00 H new ATOM 523 N PRO A 37 2.781 -7.121 -3.351 1.00 0.00 N ATOM 524 CA PRO A 37 1.746 -6.256 -2.809 1.00 0.00 C ATOM 525 C PRO A 37 0.330 -6.689 -3.188 1.00 0.00 C ATOM 526 O PRO A 37 0.069 -7.078 -4.328 1.00 0.00 O ATOM 527 CB PRO A 37 2.077 -4.910 -3.462 1.00 0.00 C ATOM 528 CG PRO A 37 2.913 -5.227 -4.674 1.00 0.00 C ATOM 529 CD PRO A 37 3.123 -6.713 -4.710 1.00 0.00 C ATOM 0 HA PRO A 37 1.744 -6.256 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.167 -4.380 -3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.621 -4.265 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.413 -4.890 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.870 -4.707 -4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.483 -7.194 -5.450 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.152 -6.970 -4.963 1.00 0.00 H new ATOM 537 N HIS A 38 -0.586 -6.592 -2.226 1.00 0.00 N ATOM 538 CA HIS A 38 -1.982 -6.947 -2.449 1.00 0.00 C ATOM 539 C HIS A 38 -2.903 -5.897 -1.860 1.00 0.00 C ATOM 540 O HIS A 38 -2.473 -5.019 -1.112 1.00 0.00 O ATOM 541 CB HIS A 38 -2.319 -8.290 -1.813 1.00 0.00 C ATOM 542 CG HIS A 38 -2.501 -9.401 -2.792 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.431 -9.588 -3.758 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.684 -10.506 -2.827 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.162 -10.796 -4.350 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.103 -11.330 -3.770 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.382 -6.268 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.127 -7.009 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.524 -8.560 -1.118 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.232 -8.183 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.833 -10.674 -2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.725 -11.238 -5.159 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.680 -12.227 -4.010 1.00 0.00 H new ATOM 555 N PHE A 39 -4.178 -6.018 -2.182 1.00 0.00 N ATOM 556 CA PHE A 39 -5.180 -5.103 -1.668 1.00 0.00 C ATOM 557 C PHE A 39 -6.545 -5.777 -1.573 1.00 0.00 C ATOM 558 O PHE A 39 -7.264 -5.886 -2.561 1.00 0.00 O ATOM 559 CB PHE A 39 -5.256 -3.845 -2.526 1.00 0.00 C ATOM 560 CG PHE A 39 -4.698 -2.629 -1.844 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.331 -2.415 -1.778 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.546 -1.702 -1.259 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.821 -1.298 -1.144 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.043 -0.584 -0.624 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.678 -0.382 -0.566 1.00 0.00 C ATOM 0 H PHE A 39 -4.545 -6.743 -2.799 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.881 -4.812 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.712 -4.014 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.296 -3.658 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.656 -3.129 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.614 -1.856 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.753 -1.141 -1.101 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.715 0.131 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.281 0.491 -0.069 1.00 0.00 H new ATOM 575 N VAL A 40 -6.902 -6.217 -0.372 1.00 0.00 N ATOM 576 CA VAL A 40 -8.178 -6.860 -0.143 1.00 0.00 C ATOM 577 C VAL A 40 -9.221 -5.811 0.223 1.00 0.00 C ATOM 578 O VAL A 40 -9.245 -5.307 1.345 1.00 0.00 O ATOM 579 CB VAL A 40 -8.064 -7.906 0.978 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.385 -8.620 1.176 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.952 -8.900 0.667 1.00 0.00 C ATOM 0 H VAL A 40 -6.317 -6.136 0.460 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.484 -7.370 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.814 -7.393 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.285 -9.356 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.153 -7.895 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.669 -9.123 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.885 -9.634 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.171 -9.409 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.004 -8.370 0.580 1.00 0.00 H new ATOM 585 N LEU A 41 -10.061 -5.463 -0.745 1.00 0.00 N ATOM 586 CA LEU A 41 -11.084 -4.443 -0.540 1.00 0.00 C ATOM 587 C LEU A 41 -12.490 -5.027 -0.502 1.00 0.00 C ATOM 588 O LEU A 41 -12.803 -5.970 -1.224 1.00 0.00 O ATOM 589 CB LEU A 41 -11.009 -3.387 -1.647 1.00 0.00 C ATOM 590 CG LEU A 41 -11.408 -3.856 -3.045 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.619 -2.663 -3.963 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.355 -4.787 -3.624 1.00 0.00 C ATOM 0 H LEU A 41 -10.054 -5.872 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.884 -3.988 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.650 -2.551 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.989 -3.006 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.345 -4.407 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.903 -3.013 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.411 -2.030 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.695 -2.089 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.661 -5.108 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.402 -4.263 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.246 -5.659 -2.979 1.00 0.00 H new ATOM 598 N ASN A 42 -13.341 -4.442 0.337 1.00 0.00 N ATOM 599 CA ASN A 42 -14.723 -4.891 0.447 1.00 0.00 C ATOM 600 C ASN A 42 -15.653 -3.755 0.867 1.00 0.00 C ATOM 601 O ASN A 42 -15.212 -2.686 1.290 1.00 0.00 O ATOM 602 CB ASN A 42 -14.850 -6.052 1.432 1.00 0.00 C ATOM 603 CG ASN A 42 -13.791 -7.110 1.216 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.766 -7.780 0.183 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.911 -7.270 2.193 1.00 0.00 N ATOM 0 H ASN A 42 -13.099 -3.661 0.946 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.023 -5.234 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.776 -5.671 2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.837 -6.504 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.175 -7.971 2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.969 -6.692 3.032 1.00 0.00 H new ATOM 610 N LYS A 43 -16.949 -4.010 0.754 1.00 0.00 N ATOM 611 CA LYS A 43 -17.969 -3.034 1.119 1.00 0.00 C ATOM 612 C LYS A 43 -18.975 -3.650 2.081 1.00 0.00 C ATOM 613 O LYS A 43 -19.030 -4.868 2.245 1.00 0.00 O ATOM 614 CB LYS A 43 -18.716 -2.550 -0.134 1.00 0.00 C ATOM 615 CG LYS A 43 -20.215 -2.325 0.085 1.00 0.00 C ATOM 616 CD LYS A 43 -20.909 -1.897 -1.198 1.00 0.00 C ATOM 617 CE LYS A 43 -22.039 -0.917 -0.923 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.376 -1.563 -1.039 1.00 0.00 N ATOM 0 H LYS A 43 -17.323 -4.894 0.409 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.472 -2.191 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.265 -1.619 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.581 -3.282 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.671 -3.242 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.361 -1.563 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.183 -1.437 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.304 -2.775 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.923 -0.501 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.976 -0.085 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.119 -0.861 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.498 -1.938 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.446 -2.341 -0.353 1.00 0.00 H new ATOM 632 N VAL A 44 -19.796 -2.797 2.672 1.00 0.00 N ATOM 633 CA VAL A 44 -20.835 -3.242 3.572 1.00 0.00 C ATOM 634 C VAL A 44 -21.891 -2.154 3.769 1.00 0.00 C ATOM 635 O VAL A 44 -21.635 -0.975 3.535 1.00 0.00 O ATOM 636 CB VAL A 44 -20.279 -3.660 4.933 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.694 -5.063 4.868 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.247 -2.667 5.447 1.00 0.00 C ATOM 0 H VAL A 44 -19.758 -1.786 2.540 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.294 -4.115 3.108 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.109 -3.665 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.304 -5.340 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.471 -5.768 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.887 -5.087 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.875 -2.998 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.418 -2.606 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.708 -1.685 5.551 1.00 0.00 H new ATOM 642 N PRO A 45 -23.104 -2.536 4.196 1.00 0.00 N ATOM 643 CA PRO A 45 -24.197 -1.584 4.412 1.00 0.00 C ATOM 644 C PRO A 45 -23.777 -0.386 5.259 1.00 0.00 C ATOM 645 O PRO A 45 -24.136 0.754 4.961 1.00 0.00 O ATOM 646 CB PRO A 45 -25.248 -2.415 5.148 1.00 0.00 C ATOM 647 CG PRO A 45 -24.995 -3.816 4.709 1.00 0.00 C ATOM 648 CD PRO A 45 -23.509 -3.923 4.495 1.00 0.00 C ATOM 0 HA PRO A 45 -24.549 -1.154 3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.148 -2.314 6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.258 -2.095 4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.333 -4.528 5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.538 -4.041 3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -23.002 -4.307 5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.269 -4.597 3.673 1.00 0.00 H new ATOM 656 N ASN A 46 -23.029 -0.654 6.321 1.00 0.00 N ATOM 657 CA ASN A 46 -22.571 0.398 7.225 1.00 0.00 C ATOM 658 C ASN A 46 -21.335 1.130 6.691 1.00 0.00 C ATOM 659 O ASN A 46 -20.766 1.970 7.389 1.00 0.00 O ATOM 660 CB ASN A 46 -22.267 -0.192 8.604 1.00 0.00 C ATOM 661 CG ASN A 46 -23.287 0.221 9.647 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.782 -0.607 10.411 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.605 1.510 9.684 1.00 0.00 N ATOM 0 H ASN A 46 -22.725 -1.593 6.580 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.376 1.129 7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.243 -1.279 8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.275 0.129 8.923 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.285 1.848 10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.170 2.162 9.031 1.00 0.00 H new ATOM 668 N GLY A 47 -20.914 0.815 5.467 1.00 0.00 N ATOM 669 CA GLY A 47 -19.751 1.465 4.908 1.00 0.00 C ATOM 670 C GLY A 47 -18.943 0.548 4.021 1.00 0.00 C ATOM 671 O GLY A 47 -19.460 -0.400 3.438 1.00 0.00 O ATOM 0 H GLY A 47 -21.358 0.125 4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.067 2.335 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.119 1.831 5.718 1.00 0.00 H new ATOM 675 N PHE A 48 -17.669 0.845 3.926 1.00 0.00 N ATOM 676 CA PHE A 48 -16.748 0.069 3.119 1.00 0.00 C ATOM 677 C PHE A 48 -15.642 -0.513 3.983 1.00 0.00 C ATOM 678 O PHE A 48 -14.947 0.223 4.689 1.00 0.00 O ATOM 679 CB PHE A 48 -16.117 0.946 2.040 1.00 0.00 C ATOM 680 CG PHE A 48 -16.995 1.230 0.858 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.835 2.331 0.846 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.961 0.405 -0.251 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.626 2.600 -0.254 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.751 0.666 -1.351 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.583 1.764 -1.355 1.00 0.00 C ATOM 0 H PHE A 48 -17.237 1.634 4.407 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.311 -0.740 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.822 1.894 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.205 0.463 1.688 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.872 2.985 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.307 -0.455 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.277 3.462 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.717 0.010 -2.208 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.201 1.972 -2.216 1.00 0.00 H new ATOM 695 N SER A 49 -15.457 -1.826 3.899 1.00 0.00 N ATOM 696 CA SER A 49 -14.402 -2.485 4.642 1.00 0.00 C ATOM 697 C SER A 49 -13.262 -2.778 3.696 1.00 0.00 C ATOM 698 O SER A 49 -13.431 -3.448 2.681 1.00 0.00 O ATOM 699 CB SER A 49 -14.875 -3.770 5.307 1.00 0.00 C ATOM 700 OG SER A 49 -16.215 -4.071 4.959 1.00 0.00 O ATOM 0 H SER A 49 -16.025 -2.449 3.324 1.00 0.00 H new ATOM 0 HA SER A 49 -14.078 -1.820 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.227 -4.595 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.792 -3.673 6.389 1.00 0.00 H new ATOM 0 HG SER A 49 -16.489 -4.902 5.400 1.00 0.00 H new ATOM 706 N VAL A 50 -12.116 -2.239 4.019 1.00 0.00 N ATOM 707 CA VAL A 50 -10.943 -2.398 3.180 1.00 0.00 C ATOM 708 C VAL A 50 -9.746 -2.903 3.977 1.00 0.00 C ATOM 709 O VAL A 50 -9.605 -2.599 5.159 1.00 0.00 O ATOM 710 CB VAL A 50 -10.592 -1.060 2.507 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.138 -0.043 3.543 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.542 -1.254 1.427 1.00 0.00 C ATOM 0 H VAL A 50 -11.963 -1.682 4.860 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.178 -3.142 2.419 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.490 -0.672 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.894 0.897 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.938 0.124 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.256 -0.420 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.312 -0.293 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.637 -1.671 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.923 -1.938 0.668 1.00 0.00 H new ATOM 716 N GLU A 51 -8.889 -3.675 3.317 1.00 0.00 N ATOM 717 CA GLU A 51 -7.696 -4.224 3.954 1.00 0.00 C ATOM 718 C GLU A 51 -6.587 -4.416 2.927 1.00 0.00 C ATOM 719 O GLU A 51 -6.791 -5.038 1.885 1.00 0.00 O ATOM 720 CB GLU A 51 -8.031 -5.550 4.644 1.00 0.00 C ATOM 721 CG GLU A 51 -6.818 -6.327 5.140 1.00 0.00 C ATOM 722 CD GLU A 51 -7.119 -7.797 5.352 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.630 -8.148 6.437 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.843 -8.598 4.435 1.00 0.00 O ATOM 0 H GLU A 51 -8.999 -3.936 2.337 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.344 -3.521 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.689 -5.349 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.589 -6.177 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.006 -6.226 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.470 -5.892 6.077 1.00 0.00 H new ATOM 731 N ALA A 52 -5.415 -3.879 3.232 1.00 0.00 N ATOM 732 CA ALA A 52 -4.268 -3.987 2.338 1.00 0.00 C ATOM 733 C ALA A 52 -3.209 -4.913 2.922 1.00 0.00 C ATOM 734 O ALA A 52 -3.117 -5.073 4.139 1.00 0.00 O ATOM 735 CB ALA A 52 -3.677 -2.611 2.068 1.00 0.00 C ATOM 0 H ALA A 52 -5.232 -3.363 4.093 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.610 -4.413 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.822 -2.707 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.431 -1.976 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.354 -2.163 3.008 1.00 0.00 H new ATOM 741 N SER A 53 -2.413 -5.524 2.050 1.00 0.00 N ATOM 742 CA SER A 53 -1.366 -6.436 2.490 1.00 0.00 C ATOM 743 C SER A 53 -0.177 -6.429 1.533 1.00 0.00 C ATOM 744 O SER A 53 -0.238 -6.998 0.443 1.00 0.00 O ATOM 745 CB SER A 53 -1.919 -7.855 2.618 1.00 0.00 C ATOM 746 OG SER A 53 -3.134 -7.868 3.346 1.00 0.00 O ATOM 0 H SER A 53 -2.473 -5.404 1.039 1.00 0.00 H new ATOM 0 HA SER A 53 -1.018 -6.093 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.082 -8.275 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.187 -8.490 3.117 1.00 0.00 H new ATOM 0 HG SER A 53 -3.466 -8.788 3.411 1.00 0.00 H new ATOM 752 N ILE A 54 0.908 -5.794 1.962 1.00 0.00 N ATOM 753 CA ILE A 54 2.129 -5.724 1.165 1.00 0.00 C ATOM 754 C ILE A 54 3.281 -6.368 1.933 1.00 0.00 C ATOM 755 O ILE A 54 3.102 -6.804 3.068 1.00 0.00 O ATOM 756 CB ILE A 54 2.495 -4.265 0.799 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.230 -3.443 0.519 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.423 -4.238 -0.407 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.509 -2.019 0.075 1.00 0.00 C ATOM 0 H ILE A 54 0.967 -5.318 2.862 1.00 0.00 H new ATOM 0 HA ILE A 54 1.952 -6.265 0.235 1.00 0.00 H new ATOM 0 HB ILE A 54 3.013 -3.818 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.645 -3.945 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.617 -3.419 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.671 -3.205 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.337 -4.786 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.927 -4.704 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.566 -1.502 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.067 -1.498 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.095 -2.033 -0.844 1.00 0.00 H new ATOM 763 N GLY A 55 4.459 -6.435 1.319 1.00 0.00 N ATOM 764 CA GLY A 55 5.598 -7.031 1.979 1.00 0.00 C ATOM 765 C GLY A 55 6.820 -6.152 1.922 1.00 0.00 C ATOM 766 O GLY A 55 6.989 -5.357 1.000 1.00 0.00 O ATOM 0 H GLY A 55 4.641 -6.087 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.347 -7.232 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.822 -7.991 1.514 1.00 0.00 H new ATOM 770 N THR A 56 7.672 -6.305 2.914 1.00 0.00 N ATOM 771 CA THR A 56 8.905 -5.531 2.993 1.00 0.00 C ATOM 772 C THR A 56 10.007 -6.345 3.656 1.00 0.00 C ATOM 773 O THR A 56 9.756 -7.046 4.637 1.00 0.00 O ATOM 774 CB THR A 56 8.705 -4.235 3.786 1.00 0.00 C ATOM 775 OG1 THR A 56 9.147 -4.396 5.131 1.00 0.00 O ATOM 776 CG2 THR A 56 7.271 -3.753 3.804 1.00 0.00 C ATOM 0 H THR A 56 7.537 -6.961 3.684 1.00 0.00 H new ATOM 0 HA THR A 56 9.192 -5.281 1.972 1.00 0.00 H new ATOM 0 HB THR A 56 9.301 -3.482 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.381 -4.610 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.204 -2.832 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.937 -3.565 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.637 -4.514 4.259 1.00 0.00 H new ATOM 781 N PRO A 57 11.254 -6.251 3.163 1.00 0.00 N ATOM 782 CA PRO A 57 12.367 -6.976 3.770 1.00 0.00 C ATOM 783 C PRO A 57 12.469 -6.700 5.268 1.00 0.00 C ATOM 784 O PRO A 57 13.145 -7.428 5.996 1.00 0.00 O ATOM 785 CB PRO A 57 13.603 -6.429 3.055 1.00 0.00 C ATOM 786 CG PRO A 57 13.101 -5.862 1.773 1.00 0.00 C ATOM 787 CD PRO A 57 11.683 -5.426 2.014 1.00 0.00 C ATOM 0 HA PRO A 57 12.249 -8.055 3.668 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.098 -5.665 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.334 -7.217 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.716 -5.019 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.146 -6.606 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.624 -4.362 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.056 -5.600 1.139 1.00 0.00 H new ATOM 795 N LEU A 58 11.804 -5.634 5.726 1.00 0.00 N ATOM 796 CA LEU A 58 11.844 -5.267 7.136 1.00 0.00 C ATOM 797 C LEU A 58 10.633 -5.821 7.883 1.00 0.00 C ATOM 798 O LEU A 58 10.684 -6.034 9.095 1.00 0.00 O ATOM 799 CB LEU A 58 11.914 -3.745 7.290 1.00 0.00 C ATOM 800 CG LEU A 58 12.475 -2.985 6.081 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.443 -1.485 6.331 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.894 -3.444 5.765 1.00 0.00 C ATOM 0 H LEU A 58 11.238 -5.018 5.143 1.00 0.00 H new ATOM 0 HA LEU A 58 12.741 -5.706 7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.911 -3.372 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.528 -3.513 8.160 1.00 0.00 H new ATOM 0 HG LEU A 58 11.845 -3.205 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.845 -0.963 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.415 -1.167 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.047 -1.249 7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.272 -2.892 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.537 -3.259 6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.890 -4.510 5.539 1.00 0.00 H new ATOM 808 N GLY A 59 9.547 -6.056 7.153 1.00 0.00 N ATOM 809 CA GLY A 59 8.342 -6.587 7.763 1.00 0.00 C ATOM 810 C GLY A 59 7.136 -6.489 6.853 1.00 0.00 C ATOM 811 O GLY A 59 6.936 -5.478 6.187 1.00 0.00 O ATOM 0 H GLY A 59 9.480 -5.888 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.505 -7.631 8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.139 -6.047 8.688 1.00 0.00 H new ATOM 815 N ASN A 60 6.331 -7.547 6.822 1.00 0.00 N ATOM 816 CA ASN A 60 5.141 -7.578 5.986 1.00 0.00 C ATOM 817 C ASN A 60 4.194 -6.436 6.339 1.00 0.00 C ATOM 818 O ASN A 60 3.978 -6.137 7.514 1.00 0.00 O ATOM 819 CB ASN A 60 4.420 -8.914 6.146 1.00 0.00 C ATOM 820 CG ASN A 60 5.270 -10.090 5.704 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.447 -9.932 5.378 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.677 -11.279 5.693 1.00 0.00 N ATOM 0 H ASN A 60 6.484 -8.395 7.368 1.00 0.00 H new ATOM 0 HA ASN A 60 5.454 -7.458 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.136 -9.047 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.498 -8.897 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.199 -12.107 5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.699 -11.364 5.971 1.00 0.00 H new ATOM 827 N LEU A 61 3.627 -5.808 5.316 1.00 0.00 N ATOM 828 CA LEU A 61 2.697 -4.705 5.521 1.00 0.00 C ATOM 829 C LEU A 61 1.256 -5.186 5.443 1.00 0.00 C ATOM 830 O LEU A 61 0.893 -5.955 4.554 1.00 0.00 O ATOM 831 CB LEU A 61 2.900 -3.613 4.468 1.00 0.00 C ATOM 832 CG LEU A 61 4.231 -2.859 4.521 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.720 -2.561 3.111 1.00 0.00 C ATOM 834 CD2 LEU A 61 4.083 -1.566 5.314 1.00 0.00 C ATOM 0 H LEU A 61 3.795 -6.043 4.338 1.00 0.00 H new ATOM 0 HA LEU A 61 2.896 -4.300 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.803 -4.067 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.092 -2.888 4.567 1.00 0.00 H new ATOM 0 HG LEU A 61 4.966 -3.488 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.667 -2.024 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.860 -3.496 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.983 -1.948 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.040 -1.044 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.336 -0.931 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.767 -1.797 6.331 1.00 0.00 H new ATOM 840 N LEU A 62 0.432 -4.704 6.364 1.00 0.00 N ATOM 841 CA LEU A 62 -0.978 -5.052 6.391 1.00 0.00 C ATOM 842 C LEU A 62 -1.778 -3.920 7.006 1.00 0.00 C ATOM 843 O LEU A 62 -1.303 -3.219 7.897 1.00 0.00 O ATOM 844 CB LEU A 62 -1.224 -6.338 7.175 1.00 0.00 C ATOM 845 CG LEU A 62 -0.251 -7.481 6.880 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.358 -8.563 7.943 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.521 -8.058 5.498 1.00 0.00 C ATOM 0 H LEU A 62 0.721 -4.067 7.106 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.300 -5.216 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.178 -6.109 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.237 -6.683 6.967 1.00 0.00 H new ATOM 0 HG LEU A 62 0.765 -7.086 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.342 -9.367 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.119 -8.139 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.373 -8.959 7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.178 -8.871 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.541 -8.439 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.393 -7.278 4.747 1.00 0.00 H new ATOM 853 N ALA A 63 -2.993 -3.750 6.524 1.00 0.00 N ATOM 854 CA ALA A 63 -3.870 -2.702 7.021 1.00 0.00 C ATOM 855 C ALA A 63 -5.326 -3.056 6.775 1.00 0.00 C ATOM 856 O ALA A 63 -5.633 -3.914 5.949 1.00 0.00 O ATOM 857 CB ALA A 63 -3.528 -1.371 6.367 1.00 0.00 C ATOM 0 H ALA A 63 -3.399 -4.325 5.786 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.719 -2.611 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.193 -0.596 6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.495 -1.108 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.651 -1.454 5.287 1.00 0.00 H new ATOM 863 N SER A 64 -6.220 -2.392 7.495 1.00 0.00 N ATOM 864 CA SER A 64 -7.649 -2.644 7.351 1.00 0.00 C ATOM 865 C SER A 64 -8.466 -1.531 7.995 1.00 0.00 C ATOM 866 O SER A 64 -8.198 -1.127 9.128 1.00 0.00 O ATOM 867 CB SER A 64 -8.016 -3.991 7.974 1.00 0.00 C ATOM 868 OG SER A 64 -7.154 -4.308 9.053 1.00 0.00 O ATOM 0 H SER A 64 -5.983 -1.677 8.183 1.00 0.00 H new ATOM 0 HA SER A 64 -7.882 -2.670 6.287 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.048 -3.963 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.958 -4.773 7.217 1.00 0.00 H new ATOM 0 HG SER A 64 -7.412 -5.173 9.434 1.00 0.00 H new ATOM 874 N ALA A 65 -9.461 -1.036 7.268 1.00 0.00 N ATOM 875 CA ALA A 65 -10.312 0.033 7.775 1.00 0.00 C ATOM 876 C ALA A 65 -11.734 -0.080 7.236 1.00 0.00 C ATOM 877 O ALA A 65 -11.950 -0.484 6.093 1.00 0.00 O ATOM 878 CB ALA A 65 -9.720 1.388 7.420 1.00 0.00 C ATOM 0 H ALA A 65 -9.698 -1.357 6.329 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.359 -0.064 8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.365 2.179 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.729 1.480 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.641 1.478 6.337 1.00 0.00 H new ATOM 884 N THR A 66 -12.701 0.290 8.072 1.00 0.00 N ATOM 885 CA THR A 66 -14.109 0.246 7.694 1.00 0.00 C ATOM 886 C THR A 66 -14.738 1.624 7.853 1.00 0.00 C ATOM 887 O THR A 66 -14.709 2.201 8.940 1.00 0.00 O ATOM 888 CB THR A 66 -14.860 -0.770 8.556 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.311 -2.067 8.400 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.338 -0.853 8.233 1.00 0.00 C ATOM 0 H THR A 66 -12.533 0.625 9.020 1.00 0.00 H new ATOM 0 HA THR A 66 -14.178 -0.059 6.650 1.00 0.00 H new ATOM 0 HB THR A 66 -14.748 -0.417 9.581 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.805 -2.701 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.811 -1.592 8.880 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.801 0.120 8.395 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.467 -1.147 7.191 1.00 0.00 H new ATOM 895 N SER A 67 -15.301 2.158 6.772 1.00 0.00 N ATOM 896 CA SER A 67 -15.921 3.475 6.829 1.00 0.00 C ATOM 897 C SER A 67 -16.857 3.696 5.651 1.00 0.00 C ATOM 898 O SER A 67 -16.744 3.034 4.624 1.00 0.00 O ATOM 899 CB SER A 67 -14.845 4.561 6.841 1.00 0.00 C ATOM 900 OG SER A 67 -14.862 5.286 8.058 1.00 0.00 O ATOM 0 H SER A 67 -15.340 1.705 5.859 1.00 0.00 H new ATOM 0 HA SER A 67 -16.506 3.530 7.747 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.864 4.107 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.004 5.243 6.006 1.00 0.00 H new ATOM 0 HG SER A 67 -14.163 5.973 8.039 1.00 0.00 H new ATOM 906 N ASP A 68 -17.768 4.649 5.802 1.00 0.00 N ATOM 907 CA ASP A 68 -18.712 4.972 4.741 1.00 0.00 C ATOM 908 C ASP A 68 -18.034 5.783 3.641 1.00 0.00 C ATOM 909 O ASP A 68 -18.672 6.172 2.662 1.00 0.00 O ATOM 910 CB ASP A 68 -19.901 5.750 5.308 1.00 0.00 C ATOM 911 CG ASP A 68 -21.222 5.304 4.711 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.467 5.603 3.524 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.010 4.656 5.430 1.00 0.00 O ATOM 0 H ASP A 68 -17.873 5.210 6.647 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.072 4.038 4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.933 5.622 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.760 6.814 5.117 1.00 0.00 H new ATOM 918 N ASP A 69 -16.736 6.041 3.806 1.00 0.00 N ATOM 919 CA ASP A 69 -15.982 6.808 2.829 1.00 0.00 C ATOM 920 C ASP A 69 -14.905 5.947 2.172 1.00 0.00 C ATOM 921 O ASP A 69 -13.791 5.828 2.677 1.00 0.00 O ATOM 922 CB ASP A 69 -15.349 8.024 3.501 1.00 0.00 C ATOM 923 CG ASP A 69 -16.337 9.158 3.692 1.00 0.00 C ATOM 924 OD1 ASP A 69 -16.784 9.735 2.678 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.665 9.470 4.857 1.00 0.00 O ATOM 0 H ASP A 69 -16.190 5.728 4.609 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.667 7.144 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.945 7.731 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.511 8.374 2.898 1.00 0.00 H new ATOM 930 N MET A 70 -15.267 5.346 1.044 1.00 0.00 N ATOM 931 CA MET A 70 -14.377 4.477 0.280 1.00 0.00 C ATOM 932 C MET A 70 -12.934 4.978 0.246 1.00 0.00 C ATOM 933 O MET A 70 -12.039 4.383 0.857 1.00 0.00 O ATOM 934 CB MET A 70 -14.933 4.373 -1.149 1.00 0.00 C ATOM 935 CG MET A 70 -13.898 4.088 -2.230 1.00 0.00 C ATOM 936 SD MET A 70 -14.346 2.683 -3.259 1.00 0.00 S ATOM 937 CE MET A 70 -13.332 1.423 -2.502 1.00 0.00 C ATOM 0 H MET A 70 -16.194 5.449 0.630 1.00 0.00 H new ATOM 0 HA MET A 70 -14.346 3.503 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.685 3.585 -1.172 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.441 5.306 -1.392 1.00 0.00 H new ATOM 0 HG2 MET A 70 -13.780 4.971 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.932 3.898 -1.762 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.843 0.462 -2.558 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.379 1.358 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.154 1.678 -1.457 1.00 0.00 H new ATOM 947 N TYR A 71 -12.710 6.050 -0.493 1.00 0.00 N ATOM 948 CA TYR A 71 -11.370 6.600 -0.638 1.00 0.00 C ATOM 949 C TYR A 71 -10.798 7.058 0.688 1.00 0.00 C ATOM 950 O TYR A 71 -9.583 7.165 0.828 1.00 0.00 O ATOM 951 CB TYR A 71 -11.347 7.701 -1.696 1.00 0.00 C ATOM 952 CG TYR A 71 -11.100 7.136 -3.082 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.310 5.783 -3.338 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.647 7.935 -4.123 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.082 5.243 -4.581 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.416 7.402 -5.378 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.636 6.056 -5.603 1.00 0.00 C ATOM 958 OH TYR A 71 -10.409 5.524 -6.852 1.00 0.00 O ATOM 0 H TYR A 71 -13.435 6.557 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.716 5.801 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.296 8.238 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.569 8.424 -1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.660 5.144 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.473 8.987 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.251 4.191 -4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.065 8.035 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.099 6.230 -7.457 1.00 0.00 H new ATOM 968 N LYS A 72 -11.660 7.267 1.678 1.00 0.00 N ATOM 969 CA LYS A 72 -11.194 7.639 3.003 1.00 0.00 C ATOM 970 C LYS A 72 -10.715 6.379 3.709 1.00 0.00 C ATOM 971 O LYS A 72 -9.697 6.381 4.397 1.00 0.00 O ATOM 972 CB LYS A 72 -12.288 8.289 3.809 1.00 0.00 C ATOM 973 CG LYS A 72 -11.814 8.864 5.136 1.00 0.00 C ATOM 974 CD LYS A 72 -12.048 10.365 5.211 1.00 0.00 C ATOM 975 CE LYS A 72 -11.232 11.001 6.324 1.00 0.00 C ATOM 976 NZ LYS A 72 -9.779 11.035 5.998 1.00 0.00 N ATOM 0 H LYS A 72 -12.673 7.186 1.587 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.383 8.361 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.737 9.087 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.071 7.555 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.339 8.372 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.752 8.654 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.785 10.823 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.107 10.561 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.588 12.016 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.384 10.444 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.296 11.702 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.374 10.085 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.651 11.342 5.013 1.00 0.00 H new ATOM 990 N ALA A 73 -11.446 5.280 3.487 1.00 0.00 N ATOM 991 CA ALA A 73 -11.072 3.992 4.051 1.00 0.00 C ATOM 992 C ALA A 73 -9.712 3.636 3.486 1.00 0.00 C ATOM 993 O ALA A 73 -8.782 3.275 4.212 1.00 0.00 O ATOM 994 CB ALA A 73 -12.107 2.925 3.708 1.00 0.00 C ATOM 0 H ALA A 73 -12.295 5.264 2.922 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.030 4.046 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.804 1.972 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.077 3.215 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.181 2.824 2.625 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.596 3.832 2.174 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.340 3.628 1.474 1.00 0.00 C ATOM 1002 C ILE A 74 -7.360 4.668 1.994 1.00 0.00 C ATOM 1003 O ILE A 74 -6.176 4.394 2.212 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.551 3.761 -0.051 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.134 2.461 -0.599 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.259 4.113 -0.777 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.506 2.615 -1.208 1.00 0.00 C ATOM 0 H ILE A 74 -10.365 4.134 1.576 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.948 2.627 1.653 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.249 4.579 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.456 2.059 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.185 1.729 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.454 4.197 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.878 5.063 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.519 3.332 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.852 1.649 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.199 2.986 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.459 3.322 -2.037 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.906 5.855 2.247 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.164 6.961 2.806 1.00 0.00 C ATOM 1013 C ASN A 75 -6.552 6.531 4.132 1.00 0.00 C ATOM 1014 O ASN A 75 -5.416 6.876 4.457 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.130 8.130 2.992 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.475 9.467 2.783 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.735 9.959 3.634 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.752 10.059 1.634 1.00 0.00 N ATOM 0 H ASN A 75 -8.886 6.069 2.065 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.353 7.269 2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.960 8.024 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.552 8.090 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.345 10.969 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.373 9.606 0.963 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.324 5.748 4.880 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.886 5.221 6.165 1.00 0.00 C ATOM 1025 C GLU A 76 -5.846 4.119 5.958 1.00 0.00 C ATOM 1026 O GLU A 76 -4.734 4.191 6.491 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.087 4.679 6.944 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.288 5.350 8.293 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.424 4.742 9.382 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -7.289 3.501 9.408 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -6.882 5.508 10.207 1.00 0.00 O ATOM 0 H GLU A 76 -8.266 5.463 4.613 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.428 6.026 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.988 4.810 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.958 3.607 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.060 6.412 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.337 5.272 8.581 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.206 3.101 5.169 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.295 1.996 4.881 1.00 0.00 C ATOM 1040 C VAL A 77 -3.928 2.522 4.493 1.00 0.00 C ATOM 1041 O VAL A 77 -2.911 2.125 5.061 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.805 1.108 3.734 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.009 -0.185 3.665 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.283 0.824 3.898 1.00 0.00 C ATOM 0 H VAL A 77 -7.119 3.022 4.721 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.235 1.401 5.792 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.665 1.643 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.384 -0.800 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.957 0.044 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.114 -0.727 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.626 0.194 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.452 0.310 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.837 1.763 3.891 1.00 0.00 H new ATOM 1048 N GLU A 78 -3.912 3.426 3.521 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.666 4.012 3.061 1.00 0.00 C ATOM 1050 C GLU A 78 -1.903 4.605 4.238 1.00 0.00 C ATOM 1051 O GLU A 78 -0.672 4.583 4.273 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.933 5.086 2.005 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.846 5.186 0.948 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.586 5.851 1.467 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -0.673 6.583 2.475 1.00 0.00 O ATOM 1056 OE2 GLU A 78 0.489 5.640 0.866 1.00 0.00 O ATOM 0 H GLU A 78 -4.745 3.766 3.040 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.060 3.228 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.884 4.874 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.037 6.052 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.603 4.187 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.225 5.749 0.095 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.650 5.119 5.210 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.054 5.702 6.402 1.00 0.00 C ATOM 1065 C GLU A 79 -1.447 4.608 7.266 1.00 0.00 C ATOM 1066 O GLU A 79 -0.321 4.736 7.748 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.098 6.486 7.197 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.553 7.755 7.833 1.00 0.00 C ATOM 1069 CD GLU A 79 -1.362 7.490 8.734 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -0.235 7.371 8.209 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -1.558 7.402 9.965 1.00 0.00 O ATOM 0 H GLU A 79 -3.670 5.143 5.193 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.267 6.391 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.925 6.747 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.505 5.844 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.262 8.454 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.342 8.235 8.412 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.190 3.517 7.444 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.698 2.396 8.235 1.00 0.00 C ATOM 1080 C LYS A 80 -0.508 1.753 7.532 1.00 0.00 C ATOM 1081 O LYS A 80 0.536 1.511 8.142 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.806 1.362 8.460 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.038 1.030 9.925 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.135 -0.008 10.094 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.219 -0.500 11.530 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.016 -1.753 11.642 1.00 0.00 N ATOM 0 H LYS A 80 -3.124 3.388 7.055 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.380 2.768 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.735 1.737 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.552 0.447 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.113 0.658 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.307 1.937 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.092 0.421 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.945 -0.851 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.214 -0.674 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.669 0.273 12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.049 -2.056 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.983 -1.581 11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.573 -2.499 11.068 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.671 1.496 6.238 1.00 0.00 N ATOM 1101 CA LEU A 81 0.390 0.897 5.436 1.00 0.00 C ATOM 1102 C LEU A 81 1.620 1.805 5.423 1.00 0.00 C ATOM 1103 O LEU A 81 2.748 1.338 5.603 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.105 0.629 4.005 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.060 -0.835 3.549 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.329 -1.190 3.048 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.483 -1.771 4.673 1.00 0.00 C ATOM 0 H LEU A 81 -1.528 1.693 5.722 1.00 0.00 H new ATOM 0 HA LEU A 81 0.671 -0.057 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.132 0.985 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.494 1.224 3.316 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.767 -0.958 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.345 -2.232 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.587 -0.548 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.053 -1.046 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.442 -2.802 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.191 -1.649 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.501 -1.533 4.981 1.00 0.00 H new ATOM 1113 N GLU A 82 1.401 3.107 5.232 1.00 0.00 N ATOM 1114 CA GLU A 82 2.503 4.062 5.223 1.00 0.00 C ATOM 1115 C GLU A 82 3.140 4.126 6.602 1.00 0.00 C ATOM 1116 O GLU A 82 4.346 3.914 6.756 1.00 0.00 O ATOM 1117 CB GLU A 82 2.007 5.444 4.813 1.00 0.00 C ATOM 1118 CG GLU A 82 3.123 6.450 4.600 1.00 0.00 C ATOM 1119 CD GLU A 82 3.318 7.365 5.793 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.933 6.923 6.786 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.855 8.523 5.734 1.00 0.00 O ATOM 0 H GLU A 82 0.480 3.518 5.083 1.00 0.00 H new ATOM 0 HA GLU A 82 3.247 3.732 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.428 5.355 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.331 5.821 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.053 5.918 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.902 7.051 3.718 1.00 0.00 H new ATOM 1128 N ARG A 83 2.316 4.398 7.609 1.00 0.00 N ATOM 1129 CA ARG A 83 2.793 4.464 8.985 1.00 0.00 C ATOM 1130 C ARG A 83 3.635 3.232 9.292 1.00 0.00 C ATOM 1131 O ARG A 83 4.727 3.329 9.860 1.00 0.00 O ATOM 1132 CB ARG A 83 1.615 4.554 9.959 1.00 0.00 C ATOM 1133 CG ARG A 83 2.035 4.712 11.411 1.00 0.00 C ATOM 1134 CD ARG A 83 1.097 5.639 12.166 1.00 0.00 C ATOM 1135 NE ARG A 83 -0.269 5.121 12.208 1.00 0.00 N ATOM 1136 CZ ARG A 83 -1.280 5.744 12.808 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.084 6.907 13.418 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -2.491 5.204 12.798 1.00 0.00 N ATOM 0 H ARG A 83 1.318 4.576 7.498 1.00 0.00 H new ATOM 0 HA ARG A 83 3.405 5.358 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.986 5.399 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.005 3.656 9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.050 3.735 11.895 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.051 5.105 11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.464 5.776 13.183 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.098 6.620 11.692 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.458 4.229 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.155 7.327 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.863 7.380 13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.647 4.311 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.266 5.681 13.258 1.00 0.00 H new ATOM 1152 N GLN A 84 3.131 2.073 8.876 1.00 0.00 N ATOM 1153 CA GLN A 84 3.845 0.823 9.069 1.00 0.00 C ATOM 1154 C GLN A 84 5.156 0.868 8.296 1.00 0.00 C ATOM 1155 O GLN A 84 6.200 0.445 8.796 1.00 0.00 O ATOM 1156 CB GLN A 84 2.993 -0.357 8.603 1.00 0.00 C ATOM 1157 CG GLN A 84 1.819 -0.653 9.515 1.00 0.00 C ATOM 1158 CD GLN A 84 0.766 -1.517 8.851 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.052 -2.627 8.400 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.460 -1.012 8.788 1.00 0.00 N ATOM 0 H GLN A 84 2.232 1.978 8.404 1.00 0.00 H new ATOM 0 HA GLN A 84 4.056 0.691 10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.620 -0.152 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.622 -1.244 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.180 -1.153 10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.365 0.286 9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.651 -0.088 9.175 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.211 -1.548 8.353 1.00 0.00 H new ATOM 1167 N LEU A 85 5.101 1.422 7.082 1.00 0.00 N ATOM 1168 CA LEU A 85 6.295 1.562 6.257 1.00 0.00 C ATOM 1169 C LEU A 85 7.352 2.331 7.040 1.00 0.00 C ATOM 1170 O LEU A 85 8.496 1.886 7.191 1.00 0.00 O ATOM 1171 CB LEU A 85 5.967 2.302 4.954 1.00 0.00 C ATOM 1172 CG LEU A 85 5.996 1.446 3.686 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.970 1.959 2.683 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.394 1.437 3.074 1.00 0.00 C ATOM 0 H LEU A 85 4.246 1.778 6.654 1.00 0.00 H new ATOM 0 HA LEU A 85 6.672 0.572 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.976 2.747 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.675 3.122 4.834 1.00 0.00 H new ATOM 0 HG LEU A 85 5.738 0.421 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.000 1.342 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.974 1.910 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.201 2.992 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.393 0.823 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.686 2.456 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.103 1.026 3.793 1.00 0.00 H new ATOM 1180 N ASN A 86 6.939 3.485 7.561 1.00 0.00 N ATOM 1181 CA ASN A 86 7.820 4.323 8.358 1.00 0.00 C ATOM 1182 C ASN A 86 8.319 3.542 9.564 1.00 0.00 C ATOM 1183 O ASN A 86 9.484 3.641 9.939 1.00 0.00 O ATOM 1184 CB ASN A 86 7.092 5.591 8.807 1.00 0.00 C ATOM 1185 CG ASN A 86 8.029 6.775 8.947 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.242 6.644 8.788 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.468 7.941 9.249 1.00 0.00 N ATOM 0 H ASN A 86 5.997 3.858 7.443 1.00 0.00 H new ATOM 0 HA ASN A 86 8.674 4.618 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.310 5.833 8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.600 5.406 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.048 8.773 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.457 8.004 9.372 1.00 0.00 H new ATOM 1192 N LYS A 87 7.433 2.738 10.151 1.00 0.00 N ATOM 1193 CA LYS A 87 7.803 1.915 11.297 1.00 0.00 C ATOM 1194 C LYS A 87 8.930 0.974 10.909 1.00 0.00 C ATOM 1195 O LYS A 87 9.971 0.928 11.563 1.00 0.00 O ATOM 1196 CB LYS A 87 6.606 1.098 11.785 1.00 0.00 C ATOM 1197 CG LYS A 87 6.272 1.321 13.250 1.00 0.00 C ATOM 1198 CD LYS A 87 5.650 0.082 13.874 1.00 0.00 C ATOM 1199 CE LYS A 87 4.531 0.445 14.838 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.444 1.209 14.165 1.00 0.00 N ATOM 0 H LYS A 87 6.462 2.641 9.853 1.00 0.00 H new ATOM 0 HA LYS A 87 8.131 2.572 12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.735 1.350 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.810 0.039 11.625 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.178 1.588 13.794 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.584 2.161 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.259 -0.565 13.089 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.417 -0.485 14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.119 -0.465 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.936 1.037 15.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.533 0.984 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.631 2.228 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.408 0.949 13.159 1.00 0.00 H new ATOM 1214 N LEU A 88 8.721 0.233 9.824 1.00 0.00 N ATOM 1215 CA LEU A 88 9.735 -0.693 9.340 1.00 0.00 C ATOM 1216 C LEU A 88 11.047 0.050 9.143 1.00 0.00 C ATOM 1217 O LEU A 88 12.101 -0.385 9.607 1.00 0.00 O ATOM 1218 CB LEU A 88 9.310 -1.326 8.010 1.00 0.00 C ATOM 1219 CG LEU A 88 8.422 -2.579 8.081 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.625 -2.654 9.377 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.483 -2.608 6.889 1.00 0.00 C ATOM 0 H LEU A 88 7.866 0.256 9.269 1.00 0.00 H new ATOM 0 HA LEU A 88 9.858 -1.485 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.782 -0.570 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.212 -1.582 7.454 1.00 0.00 H new ATOM 0 HG LEU A 88 9.079 -3.448 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.015 -3.557 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.310 -2.679 10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.979 -1.780 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.855 -3.497 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.854 -1.718 6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.065 -2.629 5.968 1.00 0.00 H new ATOM 1227 N GLN A 89 10.964 1.189 8.461 1.00 0.00 N ATOM 1228 CA GLN A 89 12.140 2.014 8.213 1.00 0.00 C ATOM 1229 C GLN A 89 12.688 2.559 9.529 1.00 0.00 C ATOM 1230 O GLN A 89 13.887 2.805 9.663 1.00 0.00 O ATOM 1231 CB GLN A 89 11.797 3.169 7.269 1.00 0.00 C ATOM 1232 CG GLN A 89 11.359 2.721 5.885 1.00 0.00 C ATOM 1233 CD GLN A 89 10.834 3.859 5.046 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.866 5.020 5.457 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.345 3.531 3.861 1.00 0.00 N ATOM 0 H GLN A 89 10.097 1.560 8.072 1.00 0.00 H new ATOM 0 HA GLN A 89 12.903 1.394 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.002 3.767 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.668 3.817 7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.202 2.257 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.586 1.959 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.340 2.555 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.973 4.254 3.245 1.00 0.00 H new ATOM 1242 N HIS A 90 11.795 2.740 10.498 1.00 0.00 N ATOM 1243 CA HIS A 90 12.170 3.248 11.811 1.00 0.00 C ATOM 1244 C HIS A 90 12.913 2.186 12.605 1.00 0.00 C ATOM 1245 O HIS A 90 14.018 2.417 13.098 1.00 0.00 O ATOM 1246 CB HIS A 90 10.922 3.670 12.586 1.00 0.00 C ATOM 1247 CG HIS A 90 10.336 4.970 12.125 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.096 5.995 11.603 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.054 5.409 12.112 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.308 7.009 11.290 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.065 6.679 11.588 1.00 0.00 N ATOM 0 H HIS A 90 10.800 2.540 10.396 1.00 0.00 H new ATOM 0 HA HIS A 90 12.823 4.109 11.668 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.167 2.889 12.495 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.172 3.749 13.644 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.108 5.974 11.478 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.186 4.863 12.450 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.627 7.948 10.863 1.00 0.00 H new ATOM 1260 N LYS A 91 12.289 1.021 12.735 1.00 0.00 N ATOM 1261 CA LYS A 91 12.874 -0.085 13.478 1.00 0.00 C ATOM 1262 C LYS A 91 14.297 -0.374 13.008 1.00 0.00 C ATOM 1263 O LYS A 91 15.267 0.008 13.663 1.00 0.00 O ATOM 1264 CB LYS A 91 12.008 -1.339 13.333 1.00 0.00 C ATOM 1265 CG LYS A 91 11.010 -1.522 14.466 1.00 0.00 C ATOM 1266 CD LYS A 91 11.244 -2.824 15.216 1.00 0.00 C ATOM 1267 CE LYS A 91 11.116 -2.633 16.720 1.00 0.00 C ATOM 1268 NZ LYS A 91 11.874 -3.666 17.479 1.00 0.00 N ATOM 0 H LYS A 91 11.374 0.819 12.333 1.00 0.00 H new ATOM 0 HA LYS A 91 12.915 0.201 14.529 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.467 -1.290 12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.656 -2.214 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.088 -0.684 15.159 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.997 -1.510 14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.526 -3.572 14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.237 -3.207 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.481 -1.643 16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.064 -2.674 17.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.761 -3.500 18.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.510 -4.610 17.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.882 -3.610 17.229 1.00 0.00 H new ATOM 1282 N SER A 92 14.415 -1.052 11.870 1.00 0.00 N ATOM 1283 CA SER A 92 15.719 -1.392 11.312 1.00 0.00 C ATOM 1284 C SER A 92 16.540 -2.212 12.303 1.00 0.00 C ATOM 1285 O SER A 92 16.095 -2.484 13.418 1.00 0.00 O ATOM 1286 CB SER A 92 16.479 -0.122 10.926 1.00 0.00 C ATOM 1287 OG SER A 92 16.976 -0.206 9.601 1.00 0.00 O ATOM 0 H SER A 92 13.622 -1.377 11.316 1.00 0.00 H new ATOM 0 HA SER A 92 15.558 -1.995 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.820 0.741 11.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.306 0.035 11.618 1.00 0.00 H new ATOM 0 HG SER A 92 17.456 0.619 9.379 1.00 0.00 H new ATOM 1293 N GLU A 93 17.741 -2.603 11.888 1.00 0.00 N ATOM 1294 CA GLU A 93 18.624 -3.392 12.738 1.00 0.00 C ATOM 1295 C GLU A 93 19.977 -3.604 12.068 1.00 0.00 C ATOM 1296 O GLU A 93 21.000 -3.107 12.539 1.00 0.00 O ATOM 1297 CB GLU A 93 17.984 -4.743 13.061 1.00 0.00 C ATOM 1298 CG GLU A 93 18.796 -5.585 14.032 1.00 0.00 C ATOM 1299 CD GLU A 93 18.462 -7.061 13.945 1.00 0.00 C ATOM 1300 OE1 GLU A 93 17.359 -7.447 14.389 1.00 0.00 O ATOM 1301 OE2 GLU A 93 19.301 -7.832 13.435 1.00 0.00 O ATOM 0 H GLU A 93 18.124 -2.386 10.968 1.00 0.00 H new ATOM 0 HA GLU A 93 18.780 -2.842 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.992 -4.575 13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.848 -5.302 12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.858 -5.444 13.829 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.616 -5.235 15.049 1.00 0.00 H new ATOM 1308 N SER A 94 19.975 -4.346 10.965 1.00 0.00 N ATOM 1309 CA SER A 94 21.203 -4.625 10.229 1.00 0.00 C ATOM 1310 C SER A 94 20.898 -5.326 8.909 1.00 0.00 C ATOM 1311 O SER A 94 20.063 -6.229 8.852 1.00 0.00 O ATOM 1312 CB SER A 94 22.144 -5.487 11.072 1.00 0.00 C ATOM 1313 OG SER A 94 21.589 -6.769 11.308 1.00 0.00 O ATOM 0 H SER A 94 19.137 -4.765 10.561 1.00 0.00 H new ATOM 0 HA SER A 94 21.690 -3.675 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.102 -5.590 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 94 22.341 -4.992 12.023 1.00 0.00 H new ATOM 0 HG SER A 94 22.211 -7.300 11.848 1.00 0.00 H new ATOM 1319 N ARG A 95 21.581 -4.905 7.849 1.00 0.00 N ATOM 1320 CA ARG A 95 21.383 -5.493 6.530 1.00 0.00 C ATOM 1321 C ARG A 95 21.713 -6.983 6.544 1.00 0.00 C ATOM 1322 O ARG A 95 20.846 -7.822 6.299 1.00 0.00 O ATOM 1323 CB ARG A 95 22.250 -4.776 5.493 1.00 0.00 C ATOM 1324 CG ARG A 95 21.714 -3.412 5.092 1.00 0.00 C ATOM 1325 CD ARG A 95 22.664 -2.693 4.146 1.00 0.00 C ATOM 1326 NE ARG A 95 21.962 -2.105 3.007 1.00 0.00 N ATOM 1327 CZ ARG A 95 22.530 -1.280 2.132 1.00 0.00 C ATOM 1328 NH1 ARG A 95 23.807 -0.941 2.261 1.00 0.00 N ATOM 1329 NH2 ARG A 95 21.821 -0.791 1.125 1.00 0.00 N ATOM 0 H ARG A 95 22.276 -4.159 7.878 1.00 0.00 H new ATOM 0 HA ARG A 95 20.334 -5.374 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 95 23.257 -4.658 5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 95 22.331 -5.401 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 95 20.742 -3.529 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 95 21.559 -2.805 5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.193 -1.910 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.416 -3.395 3.785 1.00 0.00 H new ATOM 0 HE ARG A 95 20.979 -2.341 2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 95 24.358 -1.314 3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 95 24.237 -0.308 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.839 -1.047 1.021 1.00 0.00 H new ATOM 0 HH22 ARG A 95 22.257 -0.158 0.454 1.00 0.00 H new ATOM 1343 N ARG A 96 22.971 -7.303 6.833 1.00 0.00 N ATOM 1344 CA ARG A 96 23.415 -8.692 6.879 1.00 0.00 C ATOM 1345 C ARG A 96 23.266 -9.356 5.514 1.00 0.00 C ATOM 1346 O ARG A 96 22.358 -9.030 4.750 1.00 0.00 O ATOM 1347 CB ARG A 96 22.621 -9.471 7.929 1.00 0.00 C ATOM 1348 CG ARG A 96 23.427 -10.562 8.614 1.00 0.00 C ATOM 1349 CD ARG A 96 23.930 -10.114 9.978 1.00 0.00 C ATOM 1350 NE ARG A 96 25.204 -10.739 10.325 1.00 0.00 N ATOM 1351 CZ ARG A 96 26.384 -10.318 9.874 1.00 0.00 C ATOM 1352 NH1 ARG A 96 26.457 -9.274 9.057 1.00 0.00 N ATOM 1353 NH2 ARG A 96 27.495 -10.943 10.240 1.00 0.00 N ATOM 0 H ARG A 96 23.700 -6.620 7.039 1.00 0.00 H new ATOM 0 HA ARG A 96 24.470 -8.701 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 96 22.252 -8.776 8.683 1.00 0.00 H new ATOM 0 HB3 ARG A 96 21.748 -9.919 7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 96 22.810 -11.454 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 96 24.274 -10.838 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 96 24.045 -9.030 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 96 23.187 -10.360 10.737 1.00 0.00 H new ATOM 0 HE ARG A 96 25.189 -11.545 10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 96 25.606 -8.789 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 96 27.364 -8.956 8.715 1.00 0.00 H new ATOM 0 HH21 ARG A 96 27.445 -11.746 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 96 28.399 -10.621 9.895 1.00 0.00 H new ATOM 1367 N ALA A 97 24.165 -10.288 5.212 1.00 0.00 N ATOM 1368 CA ALA A 97 24.133 -10.995 3.937 1.00 0.00 C ATOM 1369 C ALA A 97 24.103 -12.508 4.137 1.00 0.00 C ATOM 1370 O ALA A 97 23.450 -13.228 3.383 1.00 0.00 O ATOM 1371 CB ALA A 97 25.327 -10.594 3.083 1.00 0.00 C ATOM 0 H ALA A 97 24.924 -10.571 5.832 1.00 0.00 H new ATOM 0 HA ALA A 97 23.216 -10.712 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.291 -11.129 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 97 25.297 -9.521 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 97 26.249 -10.845 3.607 1.00 0.00 H new ATOM 1377 N ASP A 98 24.815 -12.985 5.152 1.00 0.00 N ATOM 1378 CA ASP A 98 24.867 -14.417 5.439 1.00 0.00 C ATOM 1379 C ASP A 98 23.556 -14.905 6.049 1.00 0.00 C ATOM 1380 O ASP A 98 22.825 -15.677 5.429 1.00 0.00 O ATOM 1381 CB ASP A 98 26.041 -14.750 6.370 1.00 0.00 C ATOM 1382 CG ASP A 98 26.265 -13.703 7.445 1.00 0.00 C ATOM 1383 OD1 ASP A 98 26.668 -12.573 7.099 1.00 0.00 O ATOM 1384 OD2 ASP A 98 26.036 -14.013 8.633 1.00 0.00 O ATOM 0 H ASP A 98 25.362 -12.405 5.788 1.00 0.00 H new ATOM 0 HA ASP A 98 25.019 -14.935 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.859 -15.715 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.949 -14.853 5.777 1.00 0.00 H new ATOM 1389 N GLU A 99 23.265 -14.451 7.262 1.00 0.00 N ATOM 1390 CA GLU A 99 22.040 -14.843 7.955 1.00 0.00 C ATOM 1391 C GLU A 99 21.986 -14.232 9.352 1.00 0.00 C ATOM 1392 O GLU A 99 22.966 -13.656 9.826 1.00 0.00 O ATOM 1393 CB GLU A 99 21.944 -16.369 8.050 1.00 0.00 C ATOM 1394 CG GLU A 99 20.556 -16.911 7.749 1.00 0.00 C ATOM 1395 CD GLU A 99 20.434 -18.396 8.034 1.00 0.00 C ATOM 1396 OE1 GLU A 99 21.150 -19.186 7.382 1.00 0.00 O ATOM 1397 OE2 GLU A 99 19.626 -18.768 8.909 1.00 0.00 O ATOM 0 H GLU A 99 23.860 -13.811 7.788 1.00 0.00 H new ATOM 0 HA GLU A 99 21.193 -14.469 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 99 22.657 -16.814 7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.238 -16.682 9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.822 -16.369 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 99 20.317 -16.725 6.702 1.00 0.00 H new ATOM 1404 N ARG A 100 20.837 -14.363 10.006 1.00 0.00 N ATOM 1405 CA ARG A 100 20.655 -13.827 11.350 1.00 0.00 C ATOM 1406 C ARG A 100 20.454 -14.950 12.362 1.00 0.00 C ATOM 1407 O ARG A 100 19.767 -14.776 13.368 1.00 0.00 O ATOM 1408 CB ARG A 100 19.458 -12.874 11.383 1.00 0.00 C ATOM 1409 CG ARG A 100 18.159 -13.512 10.915 1.00 0.00 C ATOM 1410 CD ARG A 100 16.967 -13.004 11.710 1.00 0.00 C ATOM 1411 NE ARG A 100 16.286 -14.080 12.425 1.00 0.00 N ATOM 1412 CZ ARG A 100 15.457 -13.884 13.447 1.00 0.00 C ATOM 1413 NH1 ARG A 100 15.200 -12.654 13.876 1.00 0.00 N ATOM 1414 NH2 ARG A 100 14.880 -14.919 14.042 1.00 0.00 N ATOM 0 H ARG A 100 20.017 -14.836 9.627 1.00 0.00 H new ATOM 0 HA ARG A 100 21.557 -13.277 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 100 19.326 -12.505 12.400 1.00 0.00 H new ATOM 0 HB3 ARG A 100 19.675 -12.009 10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 100 18.009 -13.298 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 100 18.229 -14.595 11.015 1.00 0.00 H new ATOM 0 HD2 ARG A 100 17.302 -12.250 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.264 -12.515 11.036 1.00 0.00 H new ATOM 0 HE ARG A 100 16.456 -15.039 12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.639 -11.853 13.422 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.564 -12.510 14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.072 -15.866 13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.245 -14.768 14.825 1.00 0.00 H new ATOM 1428 N LEU A 101 21.058 -16.103 12.089 1.00 0.00 N ATOM 1429 CA LEU A 101 20.946 -17.255 12.975 1.00 0.00 C ATOM 1430 C LEU A 101 19.496 -17.716 13.090 1.00 0.00 C ATOM 1431 O LEU A 101 18.640 -16.984 13.589 1.00 0.00 O ATOM 1432 CB LEU A 101 21.496 -16.915 14.361 1.00 0.00 C ATOM 1433 CG LEU A 101 22.135 -18.086 15.110 1.00 0.00 C ATOM 1434 CD1 LEU A 101 21.157 -19.246 15.219 1.00 0.00 C ATOM 1435 CD2 LEU A 101 23.413 -18.528 14.415 1.00 0.00 C ATOM 0 H LEU A 101 21.630 -16.263 11.260 1.00 0.00 H new ATOM 0 HA LEU A 101 21.534 -18.068 12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 101 22.237 -16.123 14.257 1.00 0.00 H new ATOM 0 HB3 LEU A 101 20.685 -16.514 14.969 1.00 0.00 H new ATOM 0 HG LEU A 101 22.388 -17.755 16.117 1.00 0.00 H new ATOM 0 HD11 LEU A 101 21.628 -20.070 15.755 1.00 0.00 H new ATOM 0 HD12 LEU A 101 20.268 -18.923 15.760 1.00 0.00 H new ATOM 0 HD13 LEU A 101 20.873 -19.578 14.220 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.854 -19.362 14.961 1.00 0.00 H new ATOM 0 HD22 LEU A 101 23.184 -18.842 13.397 1.00 0.00 H new ATOM 0 HD23 LEU A 101 24.119 -17.698 14.388 1.00 0.00 H new ATOM 1441 N LYS A 102 19.228 -18.931 12.626 1.00 0.00 N ATOM 1442 CA LYS A 102 17.882 -19.489 12.676 1.00 0.00 C ATOM 1443 C LYS A 102 17.923 -21.014 12.656 1.00 0.00 C ATOM 1444 O LYS A 102 18.561 -21.616 11.793 1.00 0.00 O ATOM 1445 CB LYS A 102 17.049 -18.974 11.501 1.00 0.00 C ATOM 1446 CG LYS A 102 16.299 -17.688 11.804 1.00 0.00 C ATOM 1447 CD LYS A 102 15.475 -17.230 10.612 1.00 0.00 C ATOM 1448 CE LYS A 102 14.189 -16.550 11.052 1.00 0.00 C ATOM 1449 NZ LYS A 102 13.459 -15.945 9.904 1.00 0.00 N ATOM 0 H LYS A 102 19.925 -19.549 12.211 1.00 0.00 H new ATOM 0 HA LYS A 102 17.418 -19.169 13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.705 -18.809 10.646 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.333 -19.742 11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.645 -17.841 12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.009 -16.908 12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.063 -16.541 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.237 -18.087 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.546 -17.277 11.549 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.420 -15.776 11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.588 -15.491 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.063 -15.233 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.216 -16.687 9.217 1.00 0.00 H new ATOM 1463 N ASP A 103 17.237 -21.633 13.612 1.00 0.00 N ATOM 1464 CA ASP A 103 17.194 -23.088 13.704 1.00 0.00 C ATOM 1465 C ASP A 103 15.756 -23.595 13.628 1.00 0.00 C ATOM 1466 O ASP A 103 15.418 -24.622 14.214 1.00 0.00 O ATOM 1467 CB ASP A 103 17.849 -23.557 15.006 1.00 0.00 C ATOM 1468 CG ASP A 103 19.232 -24.137 14.781 1.00 0.00 C ATOM 1469 OD1 ASP A 103 19.349 -25.103 13.998 1.00 0.00 O ATOM 1470 OD2 ASP A 103 20.196 -23.625 15.387 1.00 0.00 O ATOM 0 H ASP A 103 16.703 -21.149 14.334 1.00 0.00 H new ATOM 0 HA ASP A 103 17.748 -23.499 12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 103 17.918 -22.717 15.698 1.00 0.00 H new ATOM 0 HB3 ASP A 103 17.216 -24.308 15.478 1.00 0.00 H new ATOM 1475 N SER A 104 14.916 -22.868 12.899 1.00 0.00 N ATOM 1476 CA SER A 104 13.514 -23.244 12.744 1.00 0.00 C ATOM 1477 C SER A 104 12.801 -23.250 14.092 1.00 0.00 C ATOM 1478 O SER A 104 13.423 -23.453 15.134 1.00 0.00 O ATOM 1479 CB SER A 104 13.403 -24.623 12.089 1.00 0.00 C ATOM 1480 OG SER A 104 12.306 -24.675 11.195 1.00 0.00 O ATOM 0 H SER A 104 15.181 -22.015 12.406 1.00 0.00 H new ATOM 0 HA SER A 104 13.034 -22.505 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.324 -24.850 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.286 -25.386 12.858 1.00 0.00 H new ATOM 0 HG SER A 104 12.257 -25.565 10.788 1.00 0.00 H new ATOM 1486 N PHE A 105 11.492 -23.025 14.064 1.00 0.00 N ATOM 1487 CA PHE A 105 10.693 -23.004 15.283 1.00 0.00 C ATOM 1488 C PHE A 105 9.207 -23.132 14.962 1.00 0.00 C ATOM 1489 O PHE A 105 8.698 -22.476 14.053 1.00 0.00 O ATOM 1490 CB PHE A 105 10.948 -21.713 16.062 1.00 0.00 C ATOM 1491 CG PHE A 105 10.732 -20.469 15.249 1.00 0.00 C ATOM 1492 CD1 PHE A 105 11.603 -20.134 14.225 1.00 0.00 C ATOM 1493 CD2 PHE A 105 9.658 -19.633 15.510 1.00 0.00 C ATOM 1494 CE1 PHE A 105 11.408 -18.990 13.475 1.00 0.00 C ATOM 1495 CE2 PHE A 105 9.456 -18.487 14.763 1.00 0.00 C ATOM 1496 CZ PHE A 105 10.332 -18.165 13.745 1.00 0.00 C ATOM 0 H PHE A 105 10.962 -22.854 13.210 1.00 0.00 H new ATOM 0 HA PHE A 105 10.989 -23.855 15.896 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.292 -21.687 16.932 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.972 -21.720 16.436 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.445 -20.775 14.010 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.971 -19.879 16.306 1.00 0.00 H new ATOM 0 HE1 PHE A 105 12.095 -18.741 12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.614 -17.845 14.975 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.177 -17.270 13.161 1.00 0.00 H new ATOM 1506 N GLU A 106 8.516 -23.983 15.715 1.00 0.00 N ATOM 1507 CA GLU A 106 7.088 -24.197 15.511 1.00 0.00 C ATOM 1508 C GLU A 106 6.271 -23.112 16.206 1.00 0.00 C ATOM 1509 O GLU A 106 5.192 -22.740 15.741 1.00 0.00 O ATOM 1510 CB GLU A 106 6.677 -25.576 16.034 1.00 0.00 C ATOM 1511 CG GLU A 106 6.589 -26.636 14.948 1.00 0.00 C ATOM 1512 CD GLU A 106 7.857 -27.459 14.832 1.00 0.00 C ATOM 1513 OE1 GLU A 106 8.932 -26.863 14.607 1.00 0.00 O ATOM 1514 OE2 GLU A 106 7.776 -28.697 14.966 1.00 0.00 O ATOM 0 H GLU A 106 8.922 -24.535 16.471 1.00 0.00 H new ATOM 0 HA GLU A 106 6.888 -24.148 14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.395 -25.899 16.788 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.710 -25.494 16.530 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.749 -27.298 15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.384 -26.155 13.992 1.00 0.00 H new ATOM 1521 N ASN A 107 6.791 -22.608 17.319 1.00 0.00 N ATOM 1522 CA ASN A 107 6.110 -21.564 18.077 1.00 0.00 C ATOM 1523 C ASN A 107 7.115 -20.672 18.798 1.00 0.00 C ATOM 1524 O ASN A 107 7.043 -19.449 18.701 1.00 99.99 O ATOM 1525 CB ASN A 107 5.146 -22.187 19.089 1.00 0.00 C ATOM 1526 CG ASN A 107 3.885 -21.366 19.265 1.00 0.00 C ATOM 1527 OD1 ASN A 107 3.848 -20.425 20.058 1.00 0.00 O ATOM 1528 ND2 ASN A 107 2.840 -21.717 18.524 1.00 0.00 N ATOM 0 H ASN A 107 7.682 -22.905 17.717 1.00 0.00 H new ATOM 0 HA ASN A 107 5.544 -20.950 17.376 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.879 -23.192 18.762 1.00 0.00 H new ATOM 0 HB3 ASN A 107 5.648 -22.288 20.051 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.964 -21.200 18.600 1.00 0.00 H new ATOM 0 HD22 ASN A 107 2.913 -22.504 17.879 1.00 0.00 H new TER 1533 ASN A 107