USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 792 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.0922 (180deg=-0.796) USER MOD Single : A 3 ASN :FLIP amide:sc= -1.34 F(o=-2.3,f=-1.3) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 93:sc= -0.518 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.448 F(o=-1.6,f=-0.45) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.897 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 37:sc= 0.44 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.18) USER MOD Single : A 36 SER OG : rot -50:sc= 0.0389 USER MOD Single : A 38 THR OG1 : rot 11:sc= -0.585 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 35:sc= 0.282 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -7.38! C(o=-7.4!,f=-11!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0269) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.573! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.035) USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= 1.49 (180deg=0.196) USER MOD Single : A 82 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.56) USER MOD Single : A 83 TYR OH : rot -92:sc= 0.684 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-2.7e-05) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -1.24 F(o=-2.1,f=-1.2) USER MOD Single : A 92 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.035) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -0.112 F(o=-0.78,f=-0.11) USER MOD Single : A 95 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.0385 F(o=-0.54,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.854 -12.256 0.170 1.00 0.00 N ATOM 2 CA MET A 1 -0.469 -11.251 1.146 1.00 0.00 C ATOM 3 C MET A 1 0.229 -11.891 2.347 1.00 0.00 C ATOM 4 O MET A 1 0.128 -11.392 3.467 1.00 0.00 O ATOM 5 CB MET A 1 -1.712 -10.496 1.620 1.00 0.00 C ATOM 6 CG MET A 1 -2.736 -11.455 2.231 1.00 0.00 C ATOM 7 SD MET A 1 -4.211 -11.495 1.225 1.00 0.00 S ATOM 8 CE MET A 1 -4.471 -13.257 1.127 1.00 0.00 C ATOM 0 H1 MET A 1 -1.634 -11.892 -0.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.040 -12.479 -0.438 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.164 -13.118 0.663 1.00 0.00 H new ATOM 0 HA MET A 1 0.227 -10.560 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.427 -9.745 2.357 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.161 -9.965 0.781 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.310 -12.455 2.306 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.985 -11.138 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.359 -13.461 0.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.605 -13.727 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.608 -13.661 2.130 1.00 0.00 H new ATOM 18 N GLU A 2 0.918 -12.990 2.075 1.00 0.00 N ATOM 19 CA GLU A 2 1.631 -13.704 3.119 1.00 0.00 C ATOM 20 C GLU A 2 2.741 -14.566 2.511 1.00 0.00 C ATOM 21 O GLU A 2 2.466 -15.597 1.899 1.00 0.00 O ATOM 22 CB GLU A 2 0.673 -14.555 3.955 1.00 0.00 C ATOM 23 CG GLU A 2 -0.517 -15.023 3.116 1.00 0.00 C ATOM 24 CD GLU A 2 -1.096 -16.328 3.664 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.494 -16.855 4.626 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.125 -16.772 3.110 1.00 0.00 O ATOM 0 H GLU A 2 0.997 -13.403 1.146 1.00 0.00 H new ATOM 0 HA GLU A 2 2.089 -12.972 3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.203 -15.419 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.317 -13.977 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.288 -14.253 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.203 -15.166 2.082 1.00 0.00 H new ATOM 33 N ASN A 3 3.970 -14.111 2.700 1.00 0.00 N ATOM 34 CA ASN A 3 5.122 -14.827 2.178 1.00 0.00 C ATOM 35 C ASN A 3 4.998 -14.944 0.658 1.00 0.00 C ATOM 36 O ASN A 3 4.169 -15.701 0.155 1.00 0.00 O ATOM 37 CB ASN A 3 5.198 -16.241 2.755 1.00 0.00 C ATOM 38 CG ASN A 3 5.537 -16.207 4.248 1.00 0.00 C ATOM 39 OD1 ASN A 3 4.523 -15.835 5.024 1.00 0.00 O flip ATOM 40 ND2 ASN A 3 6.644 -16.499 4.665 1.00 0.00 N flip ATOM 0 H ASN A 3 4.194 -13.255 3.208 1.00 0.00 H new ATOM 0 HA ASN A 3 6.018 -14.274 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.246 -16.750 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.954 -16.816 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.378 -16.776 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.837 -16.466 5.666 1.00 0.00 H new ATOM 47 N LYS A 4 5.835 -14.182 -0.032 1.00 0.00 N ATOM 48 CA LYS A 4 5.829 -14.189 -1.485 1.00 0.00 C ATOM 49 C LYS A 4 7.015 -13.371 -1.999 1.00 0.00 C ATOM 50 O LYS A 4 7.225 -12.238 -1.570 1.00 0.00 O ATOM 51 CB LYS A 4 4.476 -13.716 -2.018 1.00 0.00 C ATOM 52 CG LYS A 4 4.361 -13.968 -3.523 1.00 0.00 C ATOM 53 CD LYS A 4 3.909 -15.402 -3.805 1.00 0.00 C ATOM 54 CE LYS A 4 4.836 -16.080 -4.815 1.00 0.00 C ATOM 55 NZ LYS A 4 4.491 -17.513 -4.956 1.00 0.00 N ATOM 0 H LYS A 4 6.522 -13.556 0.389 1.00 0.00 H new ATOM 0 HA LYS A 4 5.955 -15.204 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.673 -14.237 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.352 -12.653 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.650 -13.266 -3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.324 -13.786 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.897 -15.973 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.889 -15.397 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.755 -15.584 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.872 -15.980 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.130 -17.958 -5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.591 -17.986 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.509 -17.603 -5.286 1.00 0.00 H new ATOM 69 N LYS A 5 7.759 -13.977 -2.913 1.00 0.00 N ATOM 70 CA LYS A 5 8.918 -13.318 -3.490 1.00 0.00 C ATOM 71 C LYS A 5 8.502 -11.950 -4.035 1.00 0.00 C ATOM 72 O LYS A 5 7.313 -11.672 -4.186 1.00 0.00 O ATOM 73 CB LYS A 5 9.583 -14.220 -4.533 1.00 0.00 C ATOM 74 CG LYS A 5 8.723 -14.327 -5.793 1.00 0.00 C ATOM 75 CD LYS A 5 8.736 -15.752 -6.346 1.00 0.00 C ATOM 76 CE LYS A 5 7.562 -15.982 -7.301 1.00 0.00 C ATOM 77 NZ LYS A 5 7.571 -17.372 -7.810 1.00 0.00 N ATOM 0 H LYS A 5 7.582 -14.917 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 5 9.675 -13.141 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.564 -13.822 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.743 -15.213 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.699 -14.031 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.093 -13.636 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.675 -15.934 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.685 -16.465 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.622 -15.784 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.622 -15.283 -8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.768 -17.510 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.460 -17.549 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.491 -18.034 -7.012 1.00 0.00 H new ATOM 91 N SER A 6 9.505 -11.131 -4.319 1.00 0.00 N ATOM 92 CA SER A 6 9.259 -9.800 -4.845 1.00 0.00 C ATOM 93 C SER A 6 8.867 -8.852 -3.708 1.00 0.00 C ATOM 94 O SER A 6 9.045 -9.177 -2.535 1.00 0.00 O ATOM 95 CB SER A 6 8.168 -9.824 -5.915 1.00 0.00 C ATOM 96 OG SER A 6 8.099 -11.082 -6.580 1.00 0.00 O ATOM 0 H SER A 6 10.490 -11.365 -4.194 1.00 0.00 H new ATOM 0 HA SER A 6 10.177 -9.441 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.205 -9.604 -5.455 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.360 -9.038 -6.645 1.00 0.00 H new ATOM 0 HG SER A 6 7.446 -11.656 -6.128 1.00 0.00 H new ATOM 102 N HIS A 7 8.340 -7.700 -4.096 1.00 0.00 N ATOM 103 CA HIS A 7 7.921 -6.704 -3.125 1.00 0.00 C ATOM 104 C HIS A 7 6.412 -6.478 -3.240 1.00 0.00 C ATOM 105 O HIS A 7 5.898 -6.236 -4.330 1.00 0.00 O ATOM 106 CB HIS A 7 8.728 -5.415 -3.286 1.00 0.00 C ATOM 107 CG HIS A 7 10.210 -5.637 -3.471 1.00 0.00 C ATOM 108 ND1 HIS A 7 10.889 -6.430 -4.349 1.00 0.00 N flip ATOM 109 CD2 HIS A 7 11.165 -5.002 -2.697 1.00 0.00 C flip ATOM 110 CE1 HIS A 7 12.189 -6.286 -4.124 1.00 0.00 C flip ATOM 111 NE2 HIS A 7 12.363 -5.402 -3.100 1.00 0.00 N flip ATOM 0 H HIS A 7 8.194 -7.434 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 7 8.123 -7.066 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.344 -4.863 -4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.572 -4.789 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.968 -4.300 -1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.979 -6.787 -4.663 1.00 0.00 H new ATOM 0 HE2 HIS A 7 13.257 -5.102 -2.712 1.00 0.00 H new ATOM 119 N TYR A 8 5.744 -6.565 -2.098 1.00 0.00 N ATOM 120 CA TYR A 8 4.304 -6.373 -2.058 1.00 0.00 C ATOM 121 C TYR A 8 3.946 -5.051 -1.375 1.00 0.00 C ATOM 122 O TYR A 8 4.247 -4.855 -0.198 1.00 0.00 O ATOM 123 CB TYR A 8 3.748 -7.529 -1.225 1.00 0.00 C ATOM 124 CG TYR A 8 3.249 -8.712 -2.057 1.00 0.00 C ATOM 125 CD1 TYR A 8 4.060 -9.262 -3.029 1.00 0.00 C ATOM 126 CD2 TYR A 8 1.989 -9.229 -1.837 1.00 0.00 C ATOM 127 CE1 TYR A 8 3.591 -10.375 -3.812 1.00 0.00 C ATOM 128 CE2 TYR A 8 1.519 -10.342 -2.620 1.00 0.00 C ATOM 129 CZ TYR A 8 2.343 -10.860 -3.569 1.00 0.00 C ATOM 130 OH TYR A 8 1.900 -11.912 -4.309 1.00 0.00 O ATOM 0 H TYR A 8 6.173 -6.766 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 8 3.892 -6.348 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.524 -7.879 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.928 -7.159 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.046 -8.857 -3.202 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.354 -8.798 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.216 -10.815 -4.575 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.535 -10.756 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 8 0.993 -12.153 -4.026 1.00 0.00 H new ATOM 140 N PHE A 9 3.313 -4.178 -2.143 1.00 0.00 N ATOM 141 CA PHE A 9 2.912 -2.880 -1.628 1.00 0.00 C ATOM 142 C PHE A 9 1.480 -2.923 -1.091 1.00 0.00 C ATOM 143 O PHE A 9 0.560 -3.338 -1.795 1.00 0.00 O ATOM 144 CB PHE A 9 2.975 -1.895 -2.797 1.00 0.00 C ATOM 145 CG PHE A 9 2.868 -0.427 -2.380 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.648 0.122 -2.136 1.00 0.00 C ATOM 147 CD2 PHE A 9 3.992 0.329 -2.255 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.547 1.485 -1.749 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.892 1.691 -1.868 1.00 0.00 C ATOM 150 CZ PHE A 9 2.671 2.241 -1.623 1.00 0.00 C ATOM 0 H PHE A 9 3.067 -4.344 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 9 3.570 -2.584 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.913 -2.042 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.170 -2.123 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.756 -0.478 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.961 -0.107 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.578 1.921 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.784 2.291 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.595 3.277 -1.329 1.00 0.00 H new ATOM 160 N TYR A 10 1.335 -2.487 0.153 1.00 0.00 N ATOM 161 CA TYR A 10 0.031 -2.470 0.792 1.00 0.00 C ATOM 162 C TYR A 10 -0.176 -1.176 1.582 1.00 0.00 C ATOM 163 O TYR A 10 0.740 -0.364 1.700 1.00 0.00 O ATOM 164 CB TYR A 10 0.022 -3.653 1.763 1.00 0.00 C ATOM 165 CG TYR A 10 1.182 -3.649 2.760 1.00 0.00 C ATOM 166 CD1 TYR A 10 2.450 -4.004 2.344 1.00 0.00 C ATOM 167 CD2 TYR A 10 0.963 -3.289 4.073 1.00 0.00 C ATOM 168 CE1 TYR A 10 3.542 -3.999 3.282 1.00 0.00 C ATOM 169 CE2 TYR A 10 2.056 -3.285 5.011 1.00 0.00 C ATOM 170 CZ TYR A 10 3.291 -3.641 4.570 1.00 0.00 C ATOM 171 OH TYR A 10 4.324 -3.637 5.457 1.00 0.00 O ATOM 0 H TYR A 10 2.099 -2.143 0.734 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.762 -2.534 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.918 -3.649 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.052 -4.580 1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.622 -4.285 1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.028 -3.010 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.539 -4.274 2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.898 -3.005 6.042 1.00 0.00 H new ATOM 0 HH TYR A 10 3.997 -3.360 6.338 1.00 0.00 H new ATOM 181 N VAL A 11 -1.385 -1.025 2.103 1.00 0.00 N ATOM 182 CA VAL A 11 -1.723 0.156 2.878 1.00 0.00 C ATOM 183 C VAL A 11 -2.576 -0.254 4.080 1.00 0.00 C ATOM 184 O VAL A 11 -3.587 -0.939 3.922 1.00 0.00 O ATOM 185 CB VAL A 11 -2.408 1.192 1.983 1.00 0.00 C ATOM 186 CG1 VAL A 11 -3.120 2.256 2.821 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.407 1.831 1.020 1.00 0.00 C ATOM 0 H VAL A 11 -2.142 -1.701 2.003 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.821 0.628 3.266 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.162 0.675 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.598 2.979 2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.876 1.781 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.394 2.767 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.919 2.563 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.620 2.326 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.967 1.060 0.388 1.00 0.00 H new ATOM 197 N LEU A 12 -2.140 0.182 5.252 1.00 0.00 N ATOM 198 CA LEU A 12 -2.851 -0.133 6.479 1.00 0.00 C ATOM 199 C LEU A 12 -3.731 1.057 6.871 1.00 0.00 C ATOM 200 O LEU A 12 -3.316 2.209 6.749 1.00 0.00 O ATOM 201 CB LEU A 12 -1.871 -0.560 7.573 1.00 0.00 C ATOM 202 CG LEU A 12 -1.840 -2.054 7.897 1.00 0.00 C ATOM 203 CD1 LEU A 12 -1.070 -2.832 6.829 1.00 0.00 C ATOM 204 CD2 LEU A 12 -1.279 -2.298 9.300 1.00 0.00 C ATOM 0 H LEU A 12 -1.303 0.751 5.378 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.513 -0.985 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.869 -0.252 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.115 -0.015 8.485 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.864 -2.426 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.064 -3.892 7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.552 -2.695 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.045 -2.465 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.267 -3.368 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.264 -1.906 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.906 -1.794 10.035 1.00 0.00 H new ATOM 216 N LEU A 13 -4.930 0.738 7.338 1.00 0.00 N ATOM 217 CA LEU A 13 -5.871 1.765 7.748 1.00 0.00 C ATOM 218 C LEU A 13 -6.351 1.471 9.171 1.00 0.00 C ATOM 219 O LEU A 13 -6.681 0.331 9.495 1.00 0.00 O ATOM 220 CB LEU A 13 -7.006 1.892 6.730 1.00 0.00 C ATOM 221 CG LEU A 13 -8.356 2.349 7.285 1.00 0.00 C ATOM 222 CD1 LEU A 13 -9.303 2.758 6.154 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.970 1.277 8.188 1.00 0.00 C ATOM 0 H LEU A 13 -5.271 -0.218 7.441 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.384 2.740 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.697 2.595 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.143 0.925 6.246 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.190 3.232 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.256 3.079 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.862 3.579 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.467 1.908 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.929 1.628 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.120 0.361 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.299 1.077 9.023 1.00 0.00 H new ATOM 235 N CYS A 14 -6.376 2.518 9.983 1.00 0.00 N ATOM 236 CA CYS A 14 -6.810 2.387 11.363 1.00 0.00 C ATOM 237 C CYS A 14 -8.197 3.018 11.492 1.00 0.00 C ATOM 238 O CYS A 14 -8.651 3.720 10.590 1.00 0.00 O ATOM 239 CB CYS A 14 -5.806 3.011 12.334 1.00 0.00 C ATOM 240 SG CYS A 14 -4.200 2.142 12.220 1.00 0.00 S ATOM 0 H CYS A 14 -6.102 3.462 9.711 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.866 1.332 11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.674 4.068 12.103 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.189 2.952 13.353 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.355 2.682 13.047 1.00 0.00 H new ATOM 246 N GLN A 15 -8.835 2.742 12.620 1.00 0.00 N ATOM 247 CA GLN A 15 -10.162 3.274 12.880 1.00 0.00 C ATOM 248 C GLN A 15 -10.179 4.787 12.662 1.00 0.00 C ATOM 249 O GLN A 15 -11.182 5.343 12.216 1.00 0.00 O ATOM 250 CB GLN A 15 -10.628 2.919 14.293 1.00 0.00 C ATOM 251 CG GLN A 15 -11.014 1.441 14.389 1.00 0.00 C ATOM 252 CD GLN A 15 -12.500 1.240 14.085 1.00 0.00 C ATOM 253 OE1 GLN A 15 -13.006 1.636 13.048 1.00 0.00 O ATOM 254 NE2 GLN A 15 -13.166 0.606 15.044 1.00 0.00 N ATOM 0 H GLN A 15 -8.457 2.156 13.365 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.859 2.817 12.177 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.834 3.138 15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.482 3.540 14.565 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.414 0.859 13.689 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.790 1.067 15.388 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.679 0.302 15.887 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.164 0.424 14.937 1.00 0.00 H new ATOM 263 N ASP A 16 -9.057 5.414 12.985 1.00 0.00 N ATOM 264 CA ASP A 16 -8.931 6.852 12.829 1.00 0.00 C ATOM 265 C ASP A 16 -8.996 7.208 11.344 1.00 0.00 C ATOM 266 O ASP A 16 -9.677 8.158 10.959 1.00 0.00 O ATOM 267 CB ASP A 16 -7.591 7.350 13.375 1.00 0.00 C ATOM 268 CG ASP A 16 -7.687 8.241 14.615 1.00 0.00 C ATOM 269 OD1 ASP A 16 -8.588 7.971 15.440 1.00 0.00 O ATOM 270 OD2 ASP A 16 -6.860 9.172 14.710 1.00 0.00 O ATOM 0 H ASP A 16 -8.227 4.951 13.354 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.744 7.323 13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.970 6.487 13.614 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.078 7.903 12.588 1.00 0.00 H new ATOM 275 N GLY A 17 -8.281 6.427 10.547 1.00 0.00 N ATOM 276 CA GLY A 17 -8.250 6.648 9.113 1.00 0.00 C ATOM 277 C GLY A 17 -6.847 7.044 8.648 1.00 0.00 C ATOM 278 O GLY A 17 -6.692 7.950 7.831 1.00 0.00 O ATOM 0 H GLY A 17 -7.718 5.640 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.566 5.742 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.960 7.432 8.847 1.00 0.00 H new ATOM 282 N SER A 18 -5.859 6.345 9.190 1.00 0.00 N ATOM 283 CA SER A 18 -4.475 6.612 8.841 1.00 0.00 C ATOM 284 C SER A 18 -3.987 5.589 7.813 1.00 0.00 C ATOM 285 O SER A 18 -3.952 4.393 8.090 1.00 0.00 O ATOM 286 CB SER A 18 -3.580 6.585 10.083 1.00 0.00 C ATOM 287 OG SER A 18 -2.920 7.829 10.292 1.00 0.00 O ATOM 0 H SER A 18 -5.991 5.594 9.868 1.00 0.00 H new ATOM 0 HA SER A 18 -4.418 7.610 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.182 6.343 10.959 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.838 5.794 9.978 1.00 0.00 H new ATOM 0 HG SER A 18 -2.360 7.772 11.094 1.00 0.00 H new ATOM 293 N PHE A 19 -3.623 6.101 6.646 1.00 0.00 N ATOM 294 CA PHE A 19 -3.139 5.248 5.574 1.00 0.00 C ATOM 295 C PHE A 19 -1.609 5.250 5.520 1.00 0.00 C ATOM 296 O PHE A 19 -0.992 6.303 5.367 1.00 0.00 O ATOM 297 CB PHE A 19 -3.684 5.820 4.265 1.00 0.00 C ATOM 298 CG PHE A 19 -5.212 5.810 4.171 1.00 0.00 C ATOM 299 CD1 PHE A 19 -5.872 4.644 3.938 1.00 0.00 C ATOM 300 CD2 PHE A 19 -5.910 6.968 4.320 1.00 0.00 C ATOM 301 CE1 PHE A 19 -7.290 4.636 3.851 1.00 0.00 C ATOM 302 CE2 PHE A 19 -7.327 6.960 4.232 1.00 0.00 C ATOM 303 CZ PHE A 19 -7.987 5.794 3.999 1.00 0.00 C ATOM 0 H PHE A 19 -3.654 7.095 6.420 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.469 4.222 5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.330 6.845 4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.275 5.248 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.318 3.724 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.386 7.894 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.814 3.710 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.881 7.880 4.350 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.065 5.788 3.932 1.00 0.00 H new ATOM 313 N TYR A 20 -1.044 4.059 5.646 1.00 0.00 N ATOM 314 CA TYR A 20 0.402 3.910 5.613 1.00 0.00 C ATOM 315 C TYR A 20 0.823 2.876 4.567 1.00 0.00 C ATOM 316 O TYR A 20 0.550 1.686 4.720 1.00 0.00 O ATOM 317 CB TYR A 20 0.807 3.410 7.001 1.00 0.00 C ATOM 318 CG TYR A 20 1.928 4.220 7.653 1.00 0.00 C ATOM 319 CD1 TYR A 20 1.787 5.582 7.823 1.00 0.00 C ATOM 320 CD2 TYR A 20 3.083 3.590 8.071 1.00 0.00 C ATOM 321 CE1 TYR A 20 2.843 6.346 8.436 1.00 0.00 C ATOM 322 CE2 TYR A 20 4.140 4.352 8.684 1.00 0.00 C ATOM 323 CZ TYR A 20 3.966 5.694 8.836 1.00 0.00 C ATOM 324 OH TYR A 20 4.964 6.414 9.416 1.00 0.00 O ATOM 0 H TYR A 20 -1.560 3.188 5.771 1.00 0.00 H new ATOM 0 HA TYR A 20 0.879 4.855 5.354 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.067 3.430 7.652 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.123 2.370 6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.884 6.076 7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.194 2.524 7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.744 7.413 8.575 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.048 3.871 9.015 1.00 0.00 H new ATOM 0 HH TYR A 20 5.704 5.816 9.652 1.00 0.00 H new ATOM 334 N GLY A 21 1.482 3.367 3.528 1.00 0.00 N ATOM 335 CA GLY A 21 1.944 2.500 2.457 1.00 0.00 C ATOM 336 C GLY A 21 3.313 1.904 2.787 1.00 0.00 C ATOM 337 O GLY A 21 4.128 2.541 3.451 1.00 0.00 O ATOM 0 H GLY A 21 1.707 4.354 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.223 1.698 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.004 3.065 1.527 1.00 0.00 H new ATOM 341 N GLY A 22 3.525 0.687 2.306 1.00 0.00 N ATOM 342 CA GLY A 22 4.782 -0.003 2.541 1.00 0.00 C ATOM 343 C GLY A 22 4.963 -1.165 1.562 1.00 0.00 C ATOM 344 O GLY A 22 3.996 -1.837 1.207 1.00 0.00 O ATOM 0 H GLY A 22 2.847 0.161 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.610 0.698 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.809 -0.378 3.564 1.00 0.00 H new ATOM 348 N TYR A 23 6.206 -1.365 1.154 1.00 0.00 N ATOM 349 CA TYR A 23 6.525 -2.433 0.222 1.00 0.00 C ATOM 350 C TYR A 23 7.458 -3.462 0.866 1.00 0.00 C ATOM 351 O TYR A 23 8.629 -3.175 1.112 1.00 0.00 O ATOM 352 CB TYR A 23 7.250 -1.769 -0.950 1.00 0.00 C ATOM 353 CG TYR A 23 8.355 -0.800 -0.529 1.00 0.00 C ATOM 354 CD1 TYR A 23 8.036 0.485 -0.141 1.00 0.00 C ATOM 355 CD2 TYR A 23 9.674 -1.210 -0.538 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.077 1.397 0.257 1.00 0.00 C ATOM 357 CE2 TYR A 23 10.714 -0.298 -0.142 1.00 0.00 C ATOM 358 CZ TYR A 23 10.365 0.961 0.235 1.00 0.00 C ATOM 359 OH TYR A 23 11.348 1.823 0.610 1.00 0.00 O ATOM 0 H TYR A 23 7.005 -0.806 1.451 1.00 0.00 H new ATOM 0 HA TYR A 23 5.619 -2.954 -0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.682 -2.544 -1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.521 -1.232 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.005 0.807 -0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.925 -2.215 -0.842 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.840 2.404 0.566 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.749 -0.607 -0.144 1.00 0.00 H new ATOM 0 HH TYR A 23 12.217 1.375 0.546 1.00 0.00 H new ATOM 369 N THR A 24 6.903 -4.638 1.122 1.00 0.00 N ATOM 370 CA THR A 24 7.671 -5.710 1.732 1.00 0.00 C ATOM 371 C THR A 24 6.925 -7.040 1.602 1.00 0.00 C ATOM 372 O THR A 24 5.833 -7.090 1.039 1.00 0.00 O ATOM 373 CB THR A 24 7.963 -5.316 3.181 1.00 0.00 C ATOM 374 OG1 THR A 24 9.222 -5.924 3.460 1.00 0.00 O ATOM 375 CG2 THR A 24 7.003 -5.977 4.173 1.00 0.00 C ATOM 0 H THR A 24 5.931 -4.872 0.918 1.00 0.00 H new ATOM 0 HA THR A 24 8.623 -5.856 1.222 1.00 0.00 H new ATOM 0 HB THR A 24 7.900 -4.232 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.488 -5.718 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.254 -5.664 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.980 -5.678 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.090 -7.061 4.096 1.00 0.00 H new ATOM 383 N THR A 25 7.545 -8.083 2.134 1.00 0.00 N ATOM 384 CA THR A 25 6.954 -9.410 2.083 1.00 0.00 C ATOM 385 C THR A 25 6.682 -9.925 3.498 1.00 0.00 C ATOM 386 O THR A 25 7.600 -10.049 4.306 1.00 0.00 O ATOM 387 CB THR A 25 7.889 -10.314 1.277 1.00 0.00 C ATOM 388 OG1 THR A 25 9.144 -10.198 1.943 1.00 0.00 O ATOM 389 CG2 THR A 25 8.161 -9.772 -0.127 1.00 0.00 C ATOM 0 H THR A 25 8.450 -8.036 2.602 1.00 0.00 H new ATOM 0 HA THR A 25 5.985 -9.393 1.584 1.00 0.00 H new ATOM 0 HB THR A 25 7.455 -11.311 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.996 -10.130 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.830 -10.451 -0.656 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.221 -9.689 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.626 -8.789 -0.054 1.00 0.00 H new ATOM 397 N GLU A 26 5.413 -10.211 3.755 1.00 0.00 N ATOM 398 CA GLU A 26 5.007 -10.711 5.058 1.00 0.00 C ATOM 399 C GLU A 26 4.959 -9.566 6.073 1.00 0.00 C ATOM 400 O GLU A 26 5.813 -9.475 6.953 1.00 0.00 O ATOM 401 CB GLU A 26 5.942 -11.826 5.532 1.00 0.00 C ATOM 402 CG GLU A 26 6.203 -12.835 4.414 1.00 0.00 C ATOM 403 CD GLU A 26 7.680 -13.235 4.371 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.150 -13.783 5.391 1.00 0.00 O ATOM 405 OE2 GLU A 26 8.305 -12.983 3.318 1.00 0.00 O ATOM 0 H GLU A 26 4.653 -10.106 3.083 1.00 0.00 H new ATOM 0 HA GLU A 26 4.006 -11.134 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.886 -11.396 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.502 -12.334 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.587 -13.721 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.911 -12.405 3.456 1.00 0.00 H new ATOM 412 N PRO A 27 3.922 -8.700 5.913 1.00 0.00 N ATOM 413 CA PRO A 27 3.751 -7.566 6.803 1.00 0.00 C ATOM 414 C PRO A 27 3.212 -8.013 8.164 1.00 0.00 C ATOM 415 O PRO A 27 3.012 -7.194 9.058 1.00 0.00 O ATOM 416 CB PRO A 27 2.807 -6.627 6.070 1.00 0.00 C ATOM 417 CG PRO A 27 2.121 -7.473 5.009 1.00 0.00 C ATOM 418 CD PRO A 27 2.891 -8.777 4.882 1.00 0.00 C ATOM 0 HA PRO A 27 4.692 -7.065 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.079 -6.192 6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.353 -5.799 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.085 -7.667 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.102 -6.947 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.240 -9.638 5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.330 -8.883 3.890 1.00 0.00 H new ATOM 426 N GLU A 28 2.990 -9.315 8.277 1.00 0.00 N ATOM 427 CA GLU A 28 2.478 -9.883 9.512 1.00 0.00 C ATOM 428 C GLU A 28 3.540 -9.812 10.611 1.00 0.00 C ATOM 429 O GLU A 28 3.322 -9.192 11.650 1.00 0.00 O ATOM 430 CB GLU A 28 2.003 -11.322 9.299 1.00 0.00 C ATOM 431 CG GLU A 28 0.695 -11.357 8.507 1.00 0.00 C ATOM 432 CD GLU A 28 -0.506 -11.091 9.417 1.00 0.00 C ATOM 433 OE1 GLU A 28 -0.591 -9.952 9.925 1.00 0.00 O ATOM 434 OE2 GLU A 28 -1.311 -12.032 9.585 1.00 0.00 O ATOM 0 H GLU A 28 3.156 -9.993 7.533 1.00 0.00 H new ATOM 0 HA GLU A 28 1.617 -9.295 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.769 -11.886 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.861 -11.808 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.726 -10.610 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.583 -12.329 8.026 1.00 0.00 H new ATOM 441 N ARG A 29 4.667 -10.455 10.341 1.00 0.00 N ATOM 442 CA ARG A 29 5.764 -10.472 11.293 1.00 0.00 C ATOM 443 C ARG A 29 6.305 -9.056 11.506 1.00 0.00 C ATOM 444 O ARG A 29 6.680 -8.692 12.619 1.00 0.00 O ATOM 445 CB ARG A 29 6.899 -11.377 10.810 1.00 0.00 C ATOM 446 CG ARG A 29 7.565 -10.800 9.559 1.00 0.00 C ATOM 447 CD ARG A 29 8.706 -11.699 9.082 1.00 0.00 C ATOM 448 NE ARG A 29 9.919 -11.452 9.894 1.00 0.00 N ATOM 449 CZ ARG A 29 11.165 -11.732 9.489 1.00 0.00 C ATOM 450 NH1 ARG A 29 11.372 -12.271 8.281 1.00 0.00 N ATOM 451 NH2 ARG A 29 12.206 -11.474 10.293 1.00 0.00 N ATOM 0 H ARG A 29 4.844 -10.968 9.477 1.00 0.00 H new ATOM 0 HA ARG A 29 5.379 -10.863 12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.640 -11.491 11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.509 -12.371 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.825 -10.693 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.949 -9.803 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.412 -12.746 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.917 -11.506 8.030 1.00 0.00 H new ATOM 0 HE ARG A 29 9.798 -11.043 10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.581 -12.469 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.321 -12.484 7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.050 -11.064 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.154 -11.687 9.984 1.00 0.00 H new ATOM 465 N ARG A 30 6.329 -8.297 10.420 1.00 0.00 N ATOM 466 CA ARG A 30 6.818 -6.930 10.473 1.00 0.00 C ATOM 467 C ARG A 30 5.842 -6.047 11.253 1.00 0.00 C ATOM 468 O ARG A 30 6.258 -5.150 11.985 1.00 0.00 O ATOM 469 CB ARG A 30 7.004 -6.356 9.068 1.00 0.00 C ATOM 470 CG ARG A 30 7.770 -5.032 9.112 1.00 0.00 C ATOM 471 CD ARG A 30 7.027 -3.943 8.336 1.00 0.00 C ATOM 472 NE ARG A 30 6.535 -2.904 9.268 1.00 0.00 N ATOM 473 CZ ARG A 30 5.879 -1.800 8.885 1.00 0.00 C ATOM 474 NH1 ARG A 30 5.634 -1.585 7.586 1.00 0.00 N ATOM 475 NH2 ARG A 30 5.469 -0.912 9.801 1.00 0.00 N ATOM 0 H ARG A 30 6.018 -8.603 9.498 1.00 0.00 H new ATOM 0 HA ARG A 30 7.784 -6.943 10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.544 -7.072 8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.030 -6.201 8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.903 -4.719 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.766 -5.169 8.690 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.690 -3.495 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.190 -4.380 7.791 1.00 0.00 H new ATOM 0 HE ARG A 30 6.706 -3.037 10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.947 -2.261 6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.135 -0.745 7.293 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.656 -1.076 10.790 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.970 -0.072 9.509 1.00 0.00 H new ATOM 489 N LEU A 31 4.561 -6.333 11.072 1.00 0.00 N ATOM 490 CA LEU A 31 3.523 -5.576 11.749 1.00 0.00 C ATOM 491 C LEU A 31 3.575 -5.874 13.248 1.00 0.00 C ATOM 492 O LEU A 31 3.854 -4.985 14.052 1.00 0.00 O ATOM 493 CB LEU A 31 2.158 -5.853 11.115 1.00 0.00 C ATOM 494 CG LEU A 31 0.945 -5.301 11.866 1.00 0.00 C ATOM 495 CD1 LEU A 31 0.756 -3.810 11.581 1.00 0.00 C ATOM 496 CD2 LEU A 31 -0.314 -6.110 11.545 1.00 0.00 C ATOM 0 H LEU A 31 4.219 -7.079 10.466 1.00 0.00 H new ATOM 0 HA LEU A 31 3.694 -4.506 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.157 -5.437 10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.038 -6.932 11.015 1.00 0.00 H new ATOM 0 HG LEU A 31 1.130 -5.404 12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.113 -3.443 12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.643 -3.263 11.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.603 -3.660 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.161 -5.697 12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.514 -6.062 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.164 -7.149 11.840 1.00 0.00 H new ATOM 508 N THR A 32 3.306 -7.128 13.580 1.00 0.00 N ATOM 509 CA THR A 32 3.320 -7.553 14.969 1.00 0.00 C ATOM 510 C THR A 32 4.561 -7.011 15.681 1.00 0.00 C ATOM 511 O THR A 32 4.493 -6.620 16.845 1.00 0.00 O ATOM 512 CB THR A 32 3.223 -9.079 14.996 1.00 0.00 C ATOM 513 OG1 THR A 32 2.717 -9.372 16.296 1.00 0.00 O ATOM 514 CG2 THR A 32 4.595 -9.756 14.970 1.00 0.00 C ATOM 0 H THR A 32 3.077 -7.863 12.911 1.00 0.00 H new ATOM 0 HA THR A 32 2.468 -7.148 15.515 1.00 0.00 H new ATOM 0 HB THR A 32 2.635 -9.419 14.143 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.621 -10.342 16.399 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.467 -10.838 14.991 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.124 -9.471 14.061 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.172 -9.442 15.840 1.00 0.00 H new ATOM 522 N GLU A 33 5.667 -7.005 14.952 1.00 0.00 N ATOM 523 CA GLU A 33 6.921 -6.517 15.499 1.00 0.00 C ATOM 524 C GLU A 33 6.697 -5.206 16.255 1.00 0.00 C ATOM 525 O GLU A 33 7.113 -5.070 17.405 1.00 0.00 O ATOM 526 CB GLU A 33 7.969 -6.341 14.397 1.00 0.00 C ATOM 527 CG GLU A 33 9.241 -7.126 14.720 1.00 0.00 C ATOM 528 CD GLU A 33 10.276 -6.977 13.602 1.00 0.00 C ATOM 529 OE1 GLU A 33 10.032 -7.556 12.522 1.00 0.00 O ATOM 530 OE2 GLU A 33 11.288 -6.287 13.855 1.00 0.00 O ATOM 0 H GLU A 33 5.721 -7.330 13.987 1.00 0.00 H new ATOM 0 HA GLU A 33 7.300 -7.259 16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.561 -6.679 13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.209 -5.284 14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.663 -6.771 15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.998 -8.180 14.857 1.00 0.00 H new ATOM 537 N HIS A 34 6.038 -4.276 15.580 1.00 0.00 N ATOM 538 CA HIS A 34 5.753 -2.981 16.175 1.00 0.00 C ATOM 539 C HIS A 34 4.791 -3.157 17.351 1.00 0.00 C ATOM 540 O HIS A 34 5.035 -2.639 18.440 1.00 0.00 O ATOM 541 CB HIS A 34 5.229 -2.003 15.121 1.00 0.00 C ATOM 542 CG HIS A 34 4.438 -0.850 15.692 1.00 0.00 C ATOM 543 ND1 HIS A 34 3.055 -0.845 15.747 1.00 0.00 N ATOM 544 CD2 HIS A 34 4.850 0.333 16.230 1.00 0.00 C ATOM 545 CE1 HIS A 34 2.663 0.295 16.298 1.00 0.00 C ATOM 546 NE2 HIS A 34 3.777 1.024 16.596 1.00 0.00 N ATOM 0 H HIS A 34 5.693 -4.393 14.627 1.00 0.00 H new ATOM 0 HA HIS A 34 6.673 -2.546 16.566 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.073 -1.607 14.556 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.601 -2.547 14.416 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.875 0.654 16.340 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.641 0.594 16.479 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.784 1.948 17.029 1.00 0.00 H new ATOM 554 N ASN A 35 3.717 -3.888 17.090 1.00 0.00 N ATOM 555 CA ASN A 35 2.716 -4.139 18.114 1.00 0.00 C ATOM 556 C ASN A 35 3.387 -4.788 19.328 1.00 0.00 C ATOM 557 O ASN A 35 2.853 -4.740 20.435 1.00 0.00 O ATOM 558 CB ASN A 35 1.634 -5.093 17.606 1.00 0.00 C ATOM 559 CG ASN A 35 0.562 -4.335 16.821 1.00 0.00 C ATOM 560 OD1 ASN A 35 0.001 -3.350 17.275 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.307 -4.846 15.619 1.00 0.00 N ATOM 0 H ASN A 35 3.518 -4.314 16.185 1.00 0.00 H new ATOM 0 HA ASN A 35 2.259 -3.186 18.380 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.085 -5.855 16.971 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.175 -5.611 18.448 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.393 -4.411 15.018 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.812 -5.672 15.299 1.00 0.00 H new ATOM 568 N SER A 36 4.545 -5.380 19.077 1.00 0.00 N ATOM 569 CA SER A 36 5.293 -6.038 20.135 1.00 0.00 C ATOM 570 C SER A 36 6.547 -5.228 20.471 1.00 0.00 C ATOM 571 O SER A 36 7.511 -5.767 21.012 1.00 0.00 O ATOM 572 CB SER A 36 5.674 -7.465 19.735 1.00 0.00 C ATOM 573 OG SER A 36 5.954 -8.281 20.869 1.00 0.00 O ATOM 0 H SER A 36 4.984 -5.418 18.157 1.00 0.00 H new ATOM 0 HA SER A 36 4.657 -6.095 21.019 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.861 -7.910 19.160 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.547 -7.438 19.083 1.00 0.00 H new ATOM 0 HG SER A 36 6.591 -7.821 21.454 1.00 0.00 H new ATOM 579 N GLY A 37 6.492 -3.948 20.137 1.00 0.00 N ATOM 580 CA GLY A 37 7.612 -3.058 20.396 1.00 0.00 C ATOM 581 C GLY A 37 8.637 -3.123 19.263 1.00 0.00 C ATOM 582 O GLY A 37 9.027 -4.209 18.834 1.00 0.00 O ATOM 0 H GLY A 37 5.690 -3.505 19.689 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.251 -2.036 20.506 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.088 -3.331 21.338 1.00 0.00 H new ATOM 586 N THR A 38 9.048 -1.947 18.811 1.00 0.00 N ATOM 587 CA THR A 38 10.022 -1.857 17.736 1.00 0.00 C ATOM 588 C THR A 38 10.923 -0.637 17.934 1.00 0.00 C ATOM 589 O THR A 38 10.660 0.430 17.384 1.00 0.00 O ATOM 590 CB THR A 38 9.261 -1.840 16.409 1.00 0.00 C ATOM 591 OG1 THR A 38 8.855 -3.194 16.224 1.00 0.00 O ATOM 592 CG2 THR A 38 10.173 -1.559 15.214 1.00 0.00 C ATOM 0 H THR A 38 8.724 -1.049 19.170 1.00 0.00 H new ATOM 0 HA THR A 38 10.690 -2.719 17.734 1.00 0.00 H new ATOM 0 HB THR A 38 8.476 -1.085 16.451 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.013 -3.698 17.049 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.582 -1.558 14.298 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.649 -0.586 15.340 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.939 -2.332 15.151 1.00 0.00 H new ATOM 600 N GLY A 39 11.969 -0.836 18.724 1.00 0.00 N ATOM 601 CA GLY A 39 12.912 0.233 19.002 1.00 0.00 C ATOM 602 C GLY A 39 12.183 1.504 19.446 1.00 0.00 C ATOM 603 O GLY A 39 12.369 2.568 18.860 1.00 0.00 O ATOM 0 H GLY A 39 12.183 -1.723 19.180 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.607 -0.083 19.780 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.504 0.441 18.111 1.00 0.00 H new ATOM 607 N ALA A 40 11.370 1.349 20.482 1.00 0.00 N ATOM 608 CA ALA A 40 10.615 2.470 21.013 1.00 0.00 C ATOM 609 C ALA A 40 10.348 2.242 22.503 1.00 0.00 C ATOM 610 O ALA A 40 10.642 1.171 23.031 1.00 0.00 O ATOM 611 CB ALA A 40 9.323 2.640 20.210 1.00 0.00 C ATOM 0 H ALA A 40 11.219 0.464 20.967 1.00 0.00 H new ATOM 0 HA ALA A 40 11.184 3.395 20.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.755 3.481 20.608 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.567 2.829 19.164 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.726 1.731 20.285 1.00 0.00 H new ATOM 617 N LYS A 41 9.797 3.266 23.137 1.00 0.00 N ATOM 618 CA LYS A 41 9.488 3.190 24.555 1.00 0.00 C ATOM 619 C LYS A 41 8.364 2.177 24.774 1.00 0.00 C ATOM 620 O LYS A 41 7.659 1.813 23.834 1.00 0.00 O ATOM 621 CB LYS A 41 9.181 4.581 25.111 1.00 0.00 C ATOM 622 CG LYS A 41 7.818 5.076 24.624 1.00 0.00 C ATOM 623 CD LYS A 41 7.329 6.255 25.468 1.00 0.00 C ATOM 624 CE LYS A 41 6.074 6.884 24.860 1.00 0.00 C ATOM 625 NZ LYS A 41 5.660 8.074 25.636 1.00 0.00 N ATOM 0 H LYS A 41 9.556 4.153 22.695 1.00 0.00 H new ATOM 0 HA LYS A 41 10.352 2.832 25.115 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.194 4.552 26.201 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.958 5.280 24.802 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.889 5.377 23.579 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.093 4.263 24.673 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.115 5.917 26.482 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.116 7.005 25.542 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.267 7.167 23.825 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.265 6.153 24.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.807 8.488 25.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.456 7.795 26.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.426 8.777 25.629 1.00 0.00 H new ATOM 639 N TYR A 42 8.231 1.749 26.021 1.00 0.00 N ATOM 640 CA TYR A 42 7.203 0.785 26.376 1.00 0.00 C ATOM 641 C TYR A 42 5.867 1.480 26.643 1.00 0.00 C ATOM 642 O TYR A 42 5.831 2.681 26.905 1.00 0.00 O ATOM 643 CB TYR A 42 7.682 0.113 27.663 1.00 0.00 C ATOM 644 CG TYR A 42 7.423 0.936 28.928 1.00 0.00 C ATOM 645 CD1 TYR A 42 8.313 1.921 29.305 1.00 0.00 C ATOM 646 CD2 TYR A 42 6.298 0.692 29.691 1.00 0.00 C ATOM 647 CE1 TYR A 42 8.069 2.695 30.494 1.00 0.00 C ATOM 648 CE2 TYR A 42 6.055 1.466 30.881 1.00 0.00 C ATOM 649 CZ TYR A 42 6.952 2.429 31.223 1.00 0.00 C ATOM 650 OH TYR A 42 6.722 3.160 32.346 1.00 0.00 O ATOM 0 H TYR A 42 8.818 2.052 26.798 1.00 0.00 H new ATOM 0 HA TYR A 42 7.049 0.073 25.565 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.187 -0.853 27.763 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.751 -0.084 27.582 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.193 2.111 28.708 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.601 -0.078 29.396 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.757 3.469 30.800 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.180 1.286 31.488 1.00 0.00 H new ATOM 0 HH TYR A 42 5.888 2.862 32.765 1.00 0.00 H new ATOM 660 N THR A 43 4.803 0.695 26.568 1.00 0.00 N ATOM 661 CA THR A 43 3.468 1.221 26.800 1.00 0.00 C ATOM 662 C THR A 43 2.626 0.213 27.584 1.00 0.00 C ATOM 663 O THR A 43 2.545 -0.957 27.212 1.00 0.00 O ATOM 664 CB THR A 43 2.865 1.591 25.443 1.00 0.00 C ATOM 665 OG1 THR A 43 2.980 0.398 24.673 1.00 0.00 O ATOM 666 CG2 THR A 43 3.716 2.609 24.681 1.00 0.00 C ATOM 0 H THR A 43 4.838 -0.301 26.350 1.00 0.00 H new ATOM 0 HA THR A 43 3.498 2.120 27.416 1.00 0.00 H new ATOM 0 HB THR A 43 1.863 1.993 25.591 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.861 -0.381 25.256 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.243 2.836 23.726 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.804 3.523 25.269 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.708 2.194 24.505 1.00 0.00 H new ATOM 674 N ARG A 44 2.020 0.703 28.655 1.00 0.00 N ATOM 675 CA ARG A 44 1.187 -0.141 29.494 1.00 0.00 C ATOM 676 C ARG A 44 -0.282 -0.013 29.085 1.00 0.00 C ATOM 677 O ARG A 44 -1.097 -0.879 29.403 1.00 0.00 O ATOM 678 CB ARG A 44 1.332 0.237 30.970 1.00 0.00 C ATOM 679 CG ARG A 44 0.575 1.530 31.282 1.00 0.00 C ATOM 680 CD ARG A 44 1.096 2.173 32.569 1.00 0.00 C ATOM 681 NE ARG A 44 0.028 2.983 33.198 1.00 0.00 N ATOM 682 CZ ARG A 44 0.196 3.714 34.309 1.00 0.00 C ATOM 683 NH1 ARG A 44 1.388 3.740 34.920 1.00 0.00 N ATOM 684 NH2 ARG A 44 -0.829 4.417 34.808 1.00 0.00 N ATOM 0 H ARG A 44 2.089 1.674 28.961 1.00 0.00 H new ATOM 0 HA ARG A 44 1.517 -1.171 29.359 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.952 -0.571 31.595 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.387 0.361 31.216 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.684 2.229 30.452 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.489 1.317 31.382 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.433 1.401 33.260 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.958 2.802 32.348 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.893 2.985 32.759 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.168 3.204 34.540 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.516 4.296 35.765 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.736 4.396 34.343 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.702 4.974 35.653 1.00 0.00 H new ATOM 698 N LEU A 45 -0.576 1.073 28.385 1.00 0.00 N ATOM 699 CA LEU A 45 -1.932 1.325 27.928 1.00 0.00 C ATOM 700 C LEU A 45 -2.251 0.399 26.753 1.00 0.00 C ATOM 701 O LEU A 45 -3.385 -0.048 26.600 1.00 0.00 O ATOM 702 CB LEU A 45 -2.124 2.809 27.611 1.00 0.00 C ATOM 703 CG LEU A 45 -1.689 3.259 26.214 1.00 0.00 C ATOM 704 CD1 LEU A 45 -2.888 3.346 25.268 1.00 0.00 C ATOM 705 CD2 LEU A 45 -0.913 4.576 26.280 1.00 0.00 C ATOM 0 H LEU A 45 0.102 1.789 28.123 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.648 1.096 28.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.179 3.054 27.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.571 3.392 28.347 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.013 2.507 25.807 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.551 3.668 24.283 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.360 2.367 25.188 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.608 4.065 25.658 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.615 4.874 25.275 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.546 5.350 26.715 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.024 4.444 26.897 1.00 0.00 H new ATOM 717 N ALA A 46 -1.227 0.140 25.952 1.00 0.00 N ATOM 718 CA ALA A 46 -1.383 -0.724 24.794 1.00 0.00 C ATOM 719 C ALA A 46 -2.696 -0.388 24.084 1.00 0.00 C ATOM 720 O ALA A 46 -3.716 -1.035 24.317 1.00 0.00 O ATOM 721 CB ALA A 46 -1.319 -2.188 25.237 1.00 0.00 C ATOM 0 H ALA A 46 -0.287 0.513 26.082 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.573 -0.562 24.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.436 -2.836 24.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.356 -2.384 25.709 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.119 -2.388 25.949 1.00 0.00 H new ATOM 727 N LYS A 47 -2.628 0.626 23.233 1.00 0.00 N ATOM 728 CA LYS A 47 -3.799 1.056 22.488 1.00 0.00 C ATOM 729 C LYS A 47 -4.324 -0.113 21.651 1.00 0.00 C ATOM 730 O LYS A 47 -5.495 -0.476 21.753 1.00 0.00 O ATOM 731 CB LYS A 47 -3.481 2.307 21.665 1.00 0.00 C ATOM 732 CG LYS A 47 -4.567 3.370 21.843 1.00 0.00 C ATOM 733 CD LYS A 47 -5.023 3.917 20.488 1.00 0.00 C ATOM 734 CE LYS A 47 -4.983 5.446 20.472 1.00 0.00 C ATOM 735 NZ LYS A 47 -5.954 5.980 19.491 1.00 0.00 N ATOM 0 H LYS A 47 -1.781 1.162 23.043 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.599 1.345 23.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.516 2.712 21.971 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.396 2.042 20.611 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.418 2.941 22.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.187 4.185 22.459 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.381 3.525 19.699 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.036 3.574 20.276 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.211 5.832 21.465 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.979 5.787 20.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.914 7.019 19.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.719 5.626 18.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.913 5.670 19.748 1.00 0.00 H new ATOM 749 N ARG A 48 -3.433 -0.668 20.843 1.00 0.00 N ATOM 750 CA ARG A 48 -3.793 -1.787 19.989 1.00 0.00 C ATOM 751 C ARG A 48 -5.010 -1.433 19.133 1.00 0.00 C ATOM 752 O ARG A 48 -6.146 -1.517 19.599 1.00 0.00 O ATOM 753 CB ARG A 48 -4.105 -3.034 20.818 1.00 0.00 C ATOM 754 CG ARG A 48 -3.132 -4.168 20.492 1.00 0.00 C ATOM 755 CD ARG A 48 -3.455 -5.421 21.310 1.00 0.00 C ATOM 756 NE ARG A 48 -4.362 -6.304 20.545 1.00 0.00 N ATOM 757 CZ ARG A 48 -5.084 -7.292 21.089 1.00 0.00 C ATOM 758 NH1 ARG A 48 -5.010 -7.529 22.407 1.00 0.00 N ATOM 759 NH2 ARG A 48 -5.883 -8.044 20.319 1.00 0.00 N ATOM 0 H ARG A 48 -2.463 -0.364 20.762 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.941 -1.998 19.343 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.046 -2.793 21.879 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.127 -3.359 20.622 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.183 -4.401 19.428 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.111 -3.847 20.700 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.536 -5.953 21.554 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.920 -5.139 22.255 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.443 -6.151 19.540 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.404 -6.957 22.995 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.560 -8.281 22.822 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.942 -7.864 19.317 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.432 -8.796 20.735 1.00 0.00 H new ATOM 773 N ARG A 49 -4.733 -1.046 17.897 1.00 0.00 N ATOM 774 CA ARG A 49 -5.793 -0.680 16.972 1.00 0.00 C ATOM 775 C ARG A 49 -5.833 -1.657 15.797 1.00 0.00 C ATOM 776 O ARG A 49 -4.816 -2.251 15.443 1.00 0.00 O ATOM 777 CB ARG A 49 -5.592 0.740 16.441 1.00 0.00 C ATOM 778 CG ARG A 49 -4.280 0.853 15.660 1.00 0.00 C ATOM 779 CD ARG A 49 -3.386 1.948 16.245 1.00 0.00 C ATOM 780 NE ARG A 49 -2.078 1.956 15.552 1.00 0.00 N ATOM 781 CZ ARG A 49 -1.224 2.989 15.572 1.00 0.00 C ATOM 782 NH1 ARG A 49 -1.536 4.103 16.248 1.00 0.00 N ATOM 783 NH2 ARG A 49 -0.059 2.908 14.915 1.00 0.00 N ATOM 0 H ARG A 49 -3.790 -0.978 17.514 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.737 -0.723 17.515 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.428 1.013 15.797 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.587 1.445 17.272 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.755 -0.102 15.684 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.493 1.073 14.614 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.869 2.919 16.139 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.241 1.779 17.312 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.810 1.124 15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.423 4.165 16.747 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.886 4.889 16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.178 2.060 14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.591 3.694 14.930 1.00 0.00 H new ATOM 797 N PRO A 50 -7.052 -1.799 15.208 1.00 0.00 N ATOM 798 CA PRO A 50 -7.238 -2.694 14.079 1.00 0.00 C ATOM 799 C PRO A 50 -6.650 -2.093 12.800 1.00 0.00 C ATOM 800 O PRO A 50 -6.575 -0.873 12.661 1.00 0.00 O ATOM 801 CB PRO A 50 -8.738 -2.916 13.996 1.00 0.00 C ATOM 802 CG PRO A 50 -9.372 -1.779 14.781 1.00 0.00 C ATOM 803 CD PRO A 50 -8.279 -1.112 15.600 1.00 0.00 C ATOM 0 HA PRO A 50 -6.715 -3.642 14.203 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.077 -2.912 12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.014 -3.883 14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.835 -1.060 14.105 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.160 -2.158 15.432 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.220 -0.044 15.388 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.466 -1.215 16.669 1.00 0.00 H new ATOM 811 N VAL A 51 -6.250 -2.977 11.898 1.00 0.00 N ATOM 812 CA VAL A 51 -5.671 -2.551 10.636 1.00 0.00 C ATOM 813 C VAL A 51 -6.256 -3.393 9.502 1.00 0.00 C ATOM 814 O VAL A 51 -6.280 -4.620 9.582 1.00 0.00 O ATOM 815 CB VAL A 51 -4.144 -2.622 10.709 1.00 0.00 C ATOM 816 CG1 VAL A 51 -3.593 -1.588 11.692 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.678 -4.032 11.077 1.00 0.00 C ATOM 0 H VAL A 51 -6.316 -3.988 12.017 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.924 -1.511 10.432 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.750 -2.386 9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.506 -1.660 11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.881 -0.588 11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.999 -1.778 12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.589 -4.055 11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.087 -4.309 12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.025 -4.738 10.323 1.00 0.00 H new ATOM 827 N ILE A 52 -6.715 -2.701 8.469 1.00 0.00 N ATOM 828 CA ILE A 52 -7.299 -3.370 7.318 1.00 0.00 C ATOM 829 C ILE A 52 -6.545 -2.953 6.053 1.00 0.00 C ATOM 830 O ILE A 52 -5.855 -1.934 6.046 1.00 0.00 O ATOM 831 CB ILE A 52 -8.805 -3.106 7.252 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.092 -1.688 6.754 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.470 -3.386 8.602 1.00 0.00 C ATOM 834 CD1 ILE A 52 -9.952 -1.715 5.489 1.00 0.00 C ATOM 0 H ILE A 52 -6.694 -1.683 8.405 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.192 -4.451 7.411 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.242 -3.795 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.602 -1.121 7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.153 -1.174 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.540 -3.191 8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.310 -4.428 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.035 -2.739 9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.141 -0.695 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.428 -2.261 4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.900 -2.208 5.704 1.00 0.00 H new ATOM 846 N MET A 53 -6.702 -3.761 5.015 1.00 0.00 N ATOM 847 CA MET A 53 -6.046 -3.487 3.749 1.00 0.00 C ATOM 848 C MET A 53 -7.020 -2.861 2.749 1.00 0.00 C ATOM 849 O MET A 53 -8.087 -3.415 2.488 1.00 0.00 O ATOM 850 CB MET A 53 -5.489 -4.790 3.172 1.00 0.00 C ATOM 851 CG MET A 53 -3.959 -4.760 3.127 1.00 0.00 C ATOM 852 SD MET A 53 -3.309 -6.402 3.383 1.00 0.00 S ATOM 853 CE MET A 53 -2.468 -6.163 4.941 1.00 0.00 C ATOM 0 H MET A 53 -7.274 -4.605 5.025 1.00 0.00 H new ATOM 0 HA MET A 53 -5.235 -2.781 3.927 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.822 -5.632 3.778 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.883 -4.945 2.168 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.623 -4.373 2.165 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.578 -4.085 3.893 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.002 -7.099 5.250 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.702 -5.396 4.827 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.187 -5.848 5.698 1.00 0.00 H new ATOM 863 N ILE A 54 -6.619 -1.716 2.218 1.00 0.00 N ATOM 864 CA ILE A 54 -7.444 -1.008 1.254 1.00 0.00 C ATOM 865 C ILE A 54 -6.655 -0.818 -0.043 1.00 0.00 C ATOM 866 O ILE A 54 -7.206 -0.952 -1.134 1.00 0.00 O ATOM 867 CB ILE A 54 -7.967 0.298 1.852 1.00 0.00 C ATOM 868 CG1 ILE A 54 -6.819 1.266 2.145 1.00 0.00 C ATOM 869 CG2 ILE A 54 -8.821 0.030 3.094 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.039 0.833 3.388 1.00 0.00 C ATOM 0 H ILE A 54 -5.733 -1.260 2.437 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.329 -1.594 1.007 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.612 0.776 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.148 1.310 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.215 2.271 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.180 0.976 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.672 -0.595 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.220 -0.482 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.229 1.538 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.708 0.814 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.624 -0.162 3.229 1.00 0.00 H new ATOM 882 N HIS A 55 -5.376 -0.509 0.121 1.00 0.00 N ATOM 883 CA HIS A 55 -4.505 -0.299 -1.025 1.00 0.00 C ATOM 884 C HIS A 55 -3.547 -1.483 -1.163 1.00 0.00 C ATOM 885 O HIS A 55 -2.778 -1.775 -0.250 1.00 0.00 O ATOM 886 CB HIS A 55 -3.779 1.043 -0.914 1.00 0.00 C ATOM 887 CG HIS A 55 -3.905 1.911 -2.144 1.00 0.00 C ATOM 888 ND1 HIS A 55 -4.568 3.125 -2.139 1.00 0.00 N ATOM 889 CD2 HIS A 55 -3.444 1.729 -3.414 1.00 0.00 C ATOM 890 CE1 HIS A 55 -4.505 3.641 -3.357 1.00 0.00 C ATOM 891 NE2 HIS A 55 -3.807 2.774 -4.147 1.00 0.00 N ATOM 0 H HIS A 55 -4.923 -0.399 1.028 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.100 -0.250 -1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.172 1.587 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.723 0.858 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.879 0.878 -3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.931 4.583 -3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.599 2.907 -5.137 1.00 0.00 H new ATOM 899 N THR A 56 -3.624 -2.134 -2.316 1.00 0.00 N ATOM 900 CA THR A 56 -2.773 -3.279 -2.587 1.00 0.00 C ATOM 901 C THR A 56 -2.064 -3.110 -3.933 1.00 0.00 C ATOM 902 O THR A 56 -2.609 -2.505 -4.853 1.00 0.00 O ATOM 903 CB THR A 56 -3.637 -4.539 -2.509 1.00 0.00 C ATOM 904 OG1 THR A 56 -4.780 -4.226 -3.300 1.00 0.00 O ATOM 905 CG2 THR A 56 -4.205 -4.773 -1.108 1.00 0.00 C ATOM 0 H THR A 56 -4.263 -1.889 -3.072 1.00 0.00 H new ATOM 0 HA THR A 56 -1.979 -3.366 -1.846 1.00 0.00 H new ATOM 0 HB THR A 56 -3.046 -5.404 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.393 -4.990 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.810 -5.679 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.386 -4.883 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.824 -3.923 -0.820 1.00 0.00 H new ATOM 913 N GLU A 57 -0.859 -3.656 -4.003 1.00 0.00 N ATOM 914 CA GLU A 57 -0.070 -3.574 -5.220 1.00 0.00 C ATOM 915 C GLU A 57 1.126 -4.528 -5.144 1.00 0.00 C ATOM 916 O GLU A 57 1.834 -4.561 -4.138 1.00 0.00 O ATOM 917 CB GLU A 57 0.389 -2.138 -5.480 1.00 0.00 C ATOM 918 CG GLU A 57 -0.280 -1.567 -6.732 1.00 0.00 C ATOM 919 CD GLU A 57 0.110 -2.368 -7.976 1.00 0.00 C ATOM 920 OE1 GLU A 57 -0.507 -3.435 -8.179 1.00 0.00 O ATOM 921 OE2 GLU A 57 1.016 -1.893 -8.696 1.00 0.00 O ATOM 0 H GLU A 57 -0.410 -4.157 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.698 -3.877 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.150 -1.514 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.472 -2.115 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.363 -1.583 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.011 -0.524 -6.861 1.00 0.00 H new ATOM 928 N LYS A 58 1.313 -5.278 -6.219 1.00 0.00 N ATOM 929 CA LYS A 58 2.411 -6.227 -6.287 1.00 0.00 C ATOM 930 C LYS A 58 3.402 -5.781 -7.364 1.00 0.00 C ATOM 931 O LYS A 58 3.019 -5.117 -8.325 1.00 0.00 O ATOM 932 CB LYS A 58 1.878 -7.646 -6.492 1.00 0.00 C ATOM 933 CG LYS A 58 1.086 -8.118 -5.271 1.00 0.00 C ATOM 934 CD LYS A 58 -0.397 -8.287 -5.610 1.00 0.00 C ATOM 935 CE LYS A 58 -1.280 -7.856 -4.437 1.00 0.00 C ATOM 936 NZ LYS A 58 -2.711 -7.971 -4.799 1.00 0.00 N ATOM 0 H LYS A 58 0.723 -5.248 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 58 2.956 -6.247 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.241 -7.674 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.709 -8.327 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.491 -9.065 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.198 -7.398 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.642 -7.694 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.600 -9.328 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.068 -8.476 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.050 -6.827 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.298 -7.675 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.912 -7.361 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.929 -8.958 -5.042 1.00 0.00 H new ATOM 950 N PHE A 59 4.654 -6.163 -7.166 1.00 0.00 N ATOM 951 CA PHE A 59 5.702 -5.810 -8.107 1.00 0.00 C ATOM 952 C PHE A 59 6.795 -6.882 -8.140 1.00 0.00 C ATOM 953 O PHE A 59 7.508 -7.075 -7.157 1.00 0.00 O ATOM 954 CB PHE A 59 6.313 -4.492 -7.625 1.00 0.00 C ATOM 955 CG PHE A 59 5.301 -3.353 -7.483 1.00 0.00 C ATOM 956 CD1 PHE A 59 4.607 -2.921 -8.570 1.00 0.00 C ATOM 957 CD2 PHE A 59 5.095 -2.773 -6.272 1.00 0.00 C ATOM 958 CE1 PHE A 59 3.668 -1.864 -8.439 1.00 0.00 C ATOM 959 CE2 PHE A 59 4.156 -1.717 -6.140 1.00 0.00 C ATOM 960 CZ PHE A 59 3.462 -1.283 -7.227 1.00 0.00 C ATOM 0 H PHE A 59 4.967 -6.714 -6.367 1.00 0.00 H new ATOM 0 HA PHE A 59 5.285 -5.723 -9.110 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.796 -4.658 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.092 -4.187 -8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.770 -3.382 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.646 -3.116 -5.409 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.117 -1.521 -9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.992 -1.258 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.749 -0.478 -7.127 1.00 0.00 H new ATOM 970 N GLU A 60 6.888 -7.549 -9.280 1.00 0.00 N ATOM 971 CA GLU A 60 7.881 -8.597 -9.453 1.00 0.00 C ATOM 972 C GLU A 60 9.282 -7.990 -9.549 1.00 0.00 C ATOM 973 O GLU A 60 10.213 -8.465 -8.901 1.00 0.00 O ATOM 974 CB GLU A 60 7.567 -9.451 -10.683 1.00 0.00 C ATOM 975 CG GLU A 60 8.323 -10.781 -10.635 1.00 0.00 C ATOM 976 CD GLU A 60 8.040 -11.618 -11.884 1.00 0.00 C ATOM 977 OE1 GLU A 60 6.887 -12.083 -12.006 1.00 0.00 O ATOM 978 OE2 GLU A 60 8.985 -11.773 -12.688 1.00 0.00 O ATOM 0 H GLU A 60 6.294 -7.385 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 60 7.849 -9.250 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.495 -9.640 -10.735 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.839 -8.906 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.393 -10.592 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.030 -11.338 -9.745 1.00 0.00 H new ATOM 985 N THR A 61 9.387 -6.949 -10.363 1.00 0.00 N ATOM 986 CA THR A 61 10.659 -6.272 -10.552 1.00 0.00 C ATOM 987 C THR A 61 10.712 -4.994 -9.713 1.00 0.00 C ATOM 988 O THR A 61 9.678 -4.487 -9.281 1.00 0.00 O ATOM 989 CB THR A 61 10.844 -6.024 -12.050 1.00 0.00 C ATOM 990 OG1 THR A 61 9.697 -5.264 -12.421 1.00 0.00 O ATOM 991 CG2 THR A 61 10.724 -7.306 -12.876 1.00 0.00 C ATOM 0 H THR A 61 8.612 -6.558 -10.899 1.00 0.00 H new ATOM 0 HA THR A 61 11.490 -6.886 -10.205 1.00 0.00 H new ATOM 0 HB THR A 61 11.820 -5.570 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.737 -5.058 -13.378 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.863 -7.073 -13.932 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.486 -8.017 -12.557 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.736 -7.743 -12.728 1.00 0.00 H new ATOM 999 N ARG A 62 11.929 -4.511 -9.506 1.00 0.00 N ATOM 1000 CA ARG A 62 12.131 -3.302 -8.726 1.00 0.00 C ATOM 1001 C ARG A 62 11.831 -2.066 -9.576 1.00 0.00 C ATOM 1002 O ARG A 62 11.331 -1.063 -9.066 1.00 0.00 O ATOM 1003 CB ARG A 62 13.566 -3.217 -8.204 1.00 0.00 C ATOM 1004 CG ARG A 62 13.688 -2.162 -7.103 1.00 0.00 C ATOM 1005 CD ARG A 62 15.146 -1.981 -6.674 1.00 0.00 C ATOM 1006 NE ARG A 62 15.505 -2.998 -5.661 1.00 0.00 N ATOM 1007 CZ ARG A 62 16.584 -2.920 -4.868 1.00 0.00 C ATOM 1008 NH1 ARG A 62 17.416 -1.875 -4.969 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.830 -3.889 -3.976 1.00 0.00 N ATOM 0 H ARG A 62 12.784 -4.935 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 62 11.449 -3.338 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.874 -4.188 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.241 -2.972 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.290 -1.212 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.087 -2.457 -6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.802 -2.070 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.292 -0.981 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 62 14.894 -3.809 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.229 -1.138 -5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.236 -1.816 -4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.197 -4.685 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.650 -3.830 -3.373 1.00 0.00 H new ATOM 1023 N SER A 63 12.147 -2.177 -10.858 1.00 0.00 N ATOM 1024 CA SER A 63 11.917 -1.081 -11.784 1.00 0.00 C ATOM 1025 C SER A 63 10.462 -0.616 -11.692 1.00 0.00 C ATOM 1026 O SER A 63 10.196 0.555 -11.426 1.00 0.00 O ATOM 1027 CB SER A 63 12.254 -1.490 -13.218 1.00 0.00 C ATOM 1028 OG SER A 63 13.616 -1.886 -13.354 1.00 0.00 O ATOM 0 H SER A 63 12.561 -3.010 -11.277 1.00 0.00 H new ATOM 0 HA SER A 63 12.574 -0.256 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.605 -2.311 -13.523 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.050 -0.657 -13.890 1.00 0.00 H new ATOM 0 HG SER A 63 13.791 -2.141 -14.284 1.00 0.00 H new ATOM 1034 N GLU A 64 9.557 -1.558 -11.919 1.00 0.00 N ATOM 1035 CA GLU A 64 8.136 -1.260 -11.867 1.00 0.00 C ATOM 1036 C GLU A 64 7.727 -0.878 -10.443 1.00 0.00 C ATOM 1037 O GLU A 64 6.725 -0.191 -10.244 1.00 0.00 O ATOM 1038 CB GLU A 64 7.309 -2.440 -12.378 1.00 0.00 C ATOM 1039 CG GLU A 64 6.733 -2.148 -13.765 1.00 0.00 C ATOM 1040 CD GLU A 64 5.543 -1.189 -13.673 1.00 0.00 C ATOM 1041 OE1 GLU A 64 4.424 -1.693 -13.444 1.00 0.00 O ATOM 1042 OE2 GLU A 64 5.782 0.027 -13.836 1.00 0.00 O ATOM 0 H GLU A 64 9.781 -2.528 -12.139 1.00 0.00 H new ATOM 0 HA GLU A 64 7.938 -0.411 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.932 -3.334 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.498 -2.649 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.506 -1.715 -14.400 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.419 -3.079 -14.236 1.00 0.00 H new ATOM 1049 N ALA A 65 8.521 -1.340 -9.488 1.00 0.00 N ATOM 1050 CA ALA A 65 8.254 -1.056 -8.089 1.00 0.00 C ATOM 1051 C ALA A 65 8.527 0.423 -7.812 1.00 0.00 C ATOM 1052 O ALA A 65 7.600 1.192 -7.561 1.00 0.00 O ATOM 1053 CB ALA A 65 9.099 -1.980 -7.210 1.00 0.00 C ATOM 0 H ALA A 65 9.350 -1.910 -9.656 1.00 0.00 H new ATOM 0 HA ALA A 65 7.208 -1.248 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.899 -1.767 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.845 -3.018 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.156 -1.814 -7.419 1.00 0.00 H new ATOM 1059 N THR A 66 9.802 0.776 -7.867 1.00 0.00 N ATOM 1060 CA THR A 66 10.209 2.151 -7.625 1.00 0.00 C ATOM 1061 C THR A 66 9.361 3.113 -8.461 1.00 0.00 C ATOM 1062 O THR A 66 9.212 4.282 -8.109 1.00 0.00 O ATOM 1063 CB THR A 66 11.709 2.259 -7.909 1.00 0.00 C ATOM 1064 OG1 THR A 66 12.037 3.594 -7.541 1.00 0.00 O ATOM 1065 CG2 THR A 66 12.026 2.195 -9.405 1.00 0.00 C ATOM 0 H THR A 66 10.567 0.135 -8.075 1.00 0.00 H new ATOM 0 HA THR A 66 10.040 2.436 -6.587 1.00 0.00 H new ATOM 0 HB THR A 66 12.236 1.457 -7.391 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.993 3.749 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.103 2.276 -9.553 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.674 1.247 -9.811 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.527 3.017 -9.918 1.00 0.00 H new ATOM 1073 N LYS A 67 8.828 2.585 -9.553 1.00 0.00 N ATOM 1074 CA LYS A 67 8.000 3.381 -10.442 1.00 0.00 C ATOM 1075 C LYS A 67 6.624 3.584 -9.805 1.00 0.00 C ATOM 1076 O LYS A 67 6.098 4.696 -9.795 1.00 0.00 O ATOM 1077 CB LYS A 67 7.946 2.749 -11.834 1.00 0.00 C ATOM 1078 CG LYS A 67 7.675 3.806 -12.907 1.00 0.00 C ATOM 1079 CD LYS A 67 7.883 3.231 -14.309 1.00 0.00 C ATOM 1080 CE LYS A 67 9.262 3.601 -14.856 1.00 0.00 C ATOM 1081 NZ LYS A 67 9.161 4.030 -16.269 1.00 0.00 N ATOM 0 H LYS A 67 8.954 1.615 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 67 8.435 4.370 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.889 2.245 -12.045 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.165 1.989 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.654 4.175 -12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.338 4.659 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.779 2.146 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.110 3.608 -14.978 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.695 4.402 -14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.933 2.746 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.106 4.278 -16.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.768 3.255 -16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.537 4.860 -16.336 1.00 0.00 H new ATOM 1095 N ALA A 68 6.080 2.492 -9.289 1.00 0.00 N ATOM 1096 CA ALA A 68 4.774 2.536 -8.651 1.00 0.00 C ATOM 1097 C ALA A 68 4.864 3.369 -7.371 1.00 0.00 C ATOM 1098 O ALA A 68 3.901 4.029 -6.987 1.00 0.00 O ATOM 1099 CB ALA A 68 4.288 1.110 -8.386 1.00 0.00 C ATOM 0 H ALA A 68 6.519 1.571 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 68 4.043 3.014 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.309 1.142 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.213 0.570 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.995 0.600 -7.731 1.00 0.00 H new ATOM 1105 N GLU A 69 6.032 3.313 -6.748 1.00 0.00 N ATOM 1106 CA GLU A 69 6.260 4.054 -5.519 1.00 0.00 C ATOM 1107 C GLU A 69 6.315 5.555 -5.808 1.00 0.00 C ATOM 1108 O GLU A 69 5.642 6.344 -5.146 1.00 0.00 O ATOM 1109 CB GLU A 69 7.539 3.583 -4.824 1.00 0.00 C ATOM 1110 CG GLU A 69 7.426 3.733 -3.305 1.00 0.00 C ATOM 1111 CD GLU A 69 7.405 5.208 -2.900 1.00 0.00 C ATOM 1112 OE1 GLU A 69 8.483 5.835 -2.984 1.00 0.00 O ATOM 1113 OE2 GLU A 69 6.312 5.676 -2.517 1.00 0.00 O ATOM 0 H GLU A 69 6.830 2.766 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 69 5.427 3.863 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.731 2.540 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.389 4.161 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.518 3.243 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.265 3.232 -2.823 1.00 0.00 H new ATOM 1120 N ALA A 70 7.123 5.907 -6.797 1.00 0.00 N ATOM 1121 CA ALA A 70 7.274 7.300 -7.182 1.00 0.00 C ATOM 1122 C ALA A 70 5.892 7.912 -7.419 1.00 0.00 C ATOM 1123 O ALA A 70 5.624 9.032 -6.988 1.00 0.00 O ATOM 1124 CB ALA A 70 8.175 7.394 -8.416 1.00 0.00 C ATOM 0 H ALA A 70 7.681 5.251 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 70 7.753 7.869 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.288 8.439 -8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.154 6.973 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.725 6.837 -9.238 1.00 0.00 H new ATOM 1130 N ALA A 71 5.054 7.151 -8.106 1.00 0.00 N ATOM 1131 CA ALA A 71 3.706 7.604 -8.406 1.00 0.00 C ATOM 1132 C ALA A 71 2.922 7.756 -7.102 1.00 0.00 C ATOM 1133 O ALA A 71 2.386 8.826 -6.817 1.00 0.00 O ATOM 1134 CB ALA A 71 3.042 6.623 -9.375 1.00 0.00 C ATOM 0 H ALA A 71 5.282 6.223 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 71 3.728 8.579 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.031 6.962 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.622 6.573 -10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.000 5.634 -8.919 1.00 0.00 H new ATOM 1140 N PHE A 72 2.879 6.671 -6.344 1.00 0.00 N ATOM 1141 CA PHE A 72 2.169 6.671 -5.075 1.00 0.00 C ATOM 1142 C PHE A 72 2.654 7.807 -4.176 1.00 0.00 C ATOM 1143 O PHE A 72 1.917 8.277 -3.310 1.00 0.00 O ATOM 1144 CB PHE A 72 2.468 5.333 -4.395 1.00 0.00 C ATOM 1145 CG PHE A 72 1.989 5.252 -2.944 1.00 0.00 C ATOM 1146 CD1 PHE A 72 2.767 5.746 -1.943 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.787 4.689 -2.655 1.00 0.00 C ATOM 1148 CE1 PHE A 72 2.324 5.671 -0.597 1.00 0.00 C ATOM 1149 CE2 PHE A 72 0.342 4.614 -1.307 1.00 0.00 C ATOM 1150 CZ PHE A 72 1.119 5.107 -0.308 1.00 0.00 C ATOM 0 H PHE A 72 3.324 5.785 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 72 1.102 6.810 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.998 4.533 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.543 5.155 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.722 6.195 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.169 4.298 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.942 6.061 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.613 4.165 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.781 5.052 0.716 1.00 0.00 H new ATOM 1160 N LYS A 73 3.893 8.217 -4.409 1.00 0.00 N ATOM 1161 CA LYS A 73 4.486 9.291 -3.630 1.00 0.00 C ATOM 1162 C LYS A 73 4.006 10.637 -4.175 1.00 0.00 C ATOM 1163 O LYS A 73 4.134 11.662 -3.508 1.00 0.00 O ATOM 1164 CB LYS A 73 6.009 9.149 -3.595 1.00 0.00 C ATOM 1165 CG LYS A 73 6.661 10.392 -2.987 1.00 0.00 C ATOM 1166 CD LYS A 73 7.821 10.007 -2.067 1.00 0.00 C ATOM 1167 CE LYS A 73 7.306 9.471 -0.729 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.416 9.341 0.240 1.00 0.00 N ATOM 0 H LYS A 73 4.502 7.824 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 73 4.159 9.233 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.283 8.269 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.387 8.993 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.024 11.043 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.919 10.959 -2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.439 9.251 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.457 10.876 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.545 10.142 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.830 8.502 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.049 8.976 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.129 8.683 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.852 10.272 0.395 1.00 0.00 H new ATOM 1182 N LYS A 74 3.462 10.590 -5.383 1.00 0.00 N ATOM 1183 CA LYS A 74 2.963 11.794 -6.026 1.00 0.00 C ATOM 1184 C LYS A 74 1.444 11.871 -5.846 1.00 0.00 C ATOM 1185 O LYS A 74 0.821 12.866 -6.211 1.00 0.00 O ATOM 1186 CB LYS A 74 3.411 11.847 -7.488 1.00 0.00 C ATOM 1187 CG LYS A 74 4.236 13.106 -7.762 1.00 0.00 C ATOM 1188 CD LYS A 74 5.097 12.936 -9.015 1.00 0.00 C ATOM 1189 CE LYS A 74 6.369 12.145 -8.702 1.00 0.00 C ATOM 1190 NZ LYS A 74 7.369 13.013 -8.041 1.00 0.00 N ATOM 0 H LYS A 74 3.356 9.737 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 74 3.387 12.681 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.002 10.962 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.538 11.830 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.571 13.961 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.874 13.321 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.525 12.421 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.362 13.915 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.129 11.300 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.786 11.736 -9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.266 12.496 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.522 13.866 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.022 13.287 -7.100 1.00 0.00 H new ATOM 1204 N LEU A 75 0.894 10.806 -5.282 1.00 0.00 N ATOM 1205 CA LEU A 75 -0.539 10.738 -5.049 1.00 0.00 C ATOM 1206 C LEU A 75 -0.852 11.300 -3.661 1.00 0.00 C ATOM 1207 O LEU A 75 0.029 11.380 -2.807 1.00 0.00 O ATOM 1208 CB LEU A 75 -1.052 9.313 -5.266 1.00 0.00 C ATOM 1209 CG LEU A 75 -0.785 8.708 -6.647 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.700 7.508 -6.905 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -0.907 9.767 -7.743 1.00 0.00 C ATOM 0 H LEU A 75 1.415 9.983 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.072 11.356 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.600 8.666 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.127 9.304 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 75 0.241 8.342 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.491 7.096 -7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.521 6.744 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.741 7.828 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.713 9.310 -8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.913 10.186 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.182 10.561 -7.564 1.00 0.00 H new ATOM 1223 N THR A 76 -2.110 11.673 -3.478 1.00 0.00 N ATOM 1224 CA THR A 76 -2.550 12.224 -2.208 1.00 0.00 C ATOM 1225 C THR A 76 -3.835 11.536 -1.744 1.00 0.00 C ATOM 1226 O THR A 76 -4.311 10.602 -2.389 1.00 0.00 O ATOM 1227 CB THR A 76 -2.699 13.737 -2.376 1.00 0.00 C ATOM 1228 OG1 THR A 76 -3.348 14.158 -1.178 1.00 0.00 O ATOM 1229 CG2 THR A 76 -3.685 14.110 -3.484 1.00 0.00 C ATOM 0 H THR A 76 -2.839 11.604 -4.188 1.00 0.00 H new ATOM 0 HA THR A 76 -1.818 12.039 -1.422 1.00 0.00 H new ATOM 0 HB THR A 76 -1.725 14.174 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.482 15.128 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.753 15.195 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.338 13.700 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.668 13.701 -3.250 1.00 0.00 H new ATOM 1237 N ARG A 77 -4.360 12.021 -0.629 1.00 0.00 N ATOM 1238 CA ARG A 77 -5.579 11.463 -0.071 1.00 0.00 C ATOM 1239 C ARG A 77 -6.666 11.378 -1.146 1.00 0.00 C ATOM 1240 O ARG A 77 -7.631 10.632 -1.001 1.00 0.00 O ATOM 1241 CB ARG A 77 -6.092 12.312 1.094 1.00 0.00 C ATOM 1242 CG ARG A 77 -6.438 13.729 0.629 1.00 0.00 C ATOM 1243 CD ARG A 77 -5.608 14.770 1.381 1.00 0.00 C ATOM 1244 NE ARG A 77 -6.387 16.019 1.542 1.00 0.00 N ATOM 1245 CZ ARG A 77 -6.474 16.976 0.610 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -5.830 16.835 -0.557 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -7.206 18.076 0.843 1.00 0.00 N ATOM 0 H ARG A 77 -3.963 12.795 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.346 10.464 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.974 11.843 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.335 12.357 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.257 13.819 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.499 13.919 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.322 14.382 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.686 14.974 0.837 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.889 16.159 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.274 15.999 -0.735 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.896 17.564 -1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.697 18.183 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.272 18.805 0.132 1.00 0.00 H new ATOM 1261 N LYS A 78 -6.468 12.154 -2.202 1.00 0.00 N ATOM 1262 CA LYS A 78 -7.418 12.176 -3.302 1.00 0.00 C ATOM 1263 C LYS A 78 -7.107 11.027 -4.262 1.00 0.00 C ATOM 1264 O LYS A 78 -7.813 10.021 -4.280 1.00 0.00 O ATOM 1265 CB LYS A 78 -7.429 13.552 -3.973 1.00 0.00 C ATOM 1266 CG LYS A 78 -8.848 13.946 -4.389 1.00 0.00 C ATOM 1267 CD LYS A 78 -9.495 14.852 -3.341 1.00 0.00 C ATOM 1268 CE LYS A 78 -10.094 16.101 -3.991 1.00 0.00 C ATOM 1269 NZ LYS A 78 -9.184 17.258 -3.827 1.00 0.00 N ATOM 0 H LYS A 78 -5.665 12.772 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.431 12.018 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.026 14.298 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.780 13.539 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.820 14.459 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.453 13.050 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.274 14.303 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.752 15.144 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.271 15.917 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.061 16.325 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.606 18.097 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.036 17.442 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.271 17.048 -4.278 1.00 0.00 H new ATOM 1283 N GLN A 79 -6.049 11.215 -5.036 1.00 0.00 N ATOM 1284 CA GLN A 79 -5.635 10.206 -5.997 1.00 0.00 C ATOM 1285 C GLN A 79 -5.716 8.814 -5.371 1.00 0.00 C ATOM 1286 O GLN A 79 -6.102 7.851 -6.035 1.00 0.00 O ATOM 1287 CB GLN A 79 -4.225 10.491 -6.520 1.00 0.00 C ATOM 1288 CG GLN A 79 -4.202 11.768 -7.364 1.00 0.00 C ATOM 1289 CD GLN A 79 -4.210 11.438 -8.857 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -5.213 11.039 -9.426 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -3.039 11.626 -9.460 1.00 0.00 N ATOM 0 H GLN A 79 -5.465 12.051 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 79 -6.316 10.241 -6.848 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.536 10.592 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.878 9.649 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.066 12.385 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.314 12.352 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.238 11.962 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.942 11.434 -10.457 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.345 8.747 -4.100 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.371 7.487 -3.378 1.00 0.00 C ATOM 1302 C LYS A 80 -6.820 7.024 -3.219 1.00 0.00 C ATOM 1303 O LYS A 80 -7.181 5.937 -3.668 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.617 7.615 -2.052 1.00 0.00 C ATOM 1305 CG LYS A 80 -3.112 7.436 -2.257 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.326 8.529 -1.532 1.00 0.00 C ATOM 1307 CE LYS A 80 -0.873 8.104 -1.308 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.737 7.375 -0.027 1.00 0.00 N ATOM 0 H LYS A 80 -5.025 9.546 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.850 6.714 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.814 8.592 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.983 6.868 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.805 6.457 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.881 7.462 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.353 9.449 -2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.797 8.745 -0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.543 7.470 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.228 8.982 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.154 7.932 0.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.678 7.225 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.283 6.455 -0.198 1.00 0.00 H new ATOM 1322 N GLU A 81 -7.612 7.873 -2.582 1.00 0.00 N ATOM 1323 CA GLU A 81 -9.015 7.565 -2.358 1.00 0.00 C ATOM 1324 C GLU A 81 -9.727 7.338 -3.694 1.00 0.00 C ATOM 1325 O GLU A 81 -10.816 6.768 -3.732 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.699 8.672 -1.554 1.00 0.00 C ATOM 1327 CG GLU A 81 -11.126 8.272 -1.174 1.00 0.00 C ATOM 1328 CD GLU A 81 -11.267 8.118 0.341 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -10.372 7.476 0.932 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -12.267 8.644 0.875 1.00 0.00 O ATOM 0 H GLU A 81 -7.309 8.775 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.077 6.647 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.123 8.880 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.719 9.592 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.827 9.026 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.387 7.334 -1.664 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.083 7.796 -4.757 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.641 7.649 -6.090 1.00 0.00 C ATOM 1339 C GLN A 82 -9.470 6.211 -6.584 1.00 0.00 C ATOM 1340 O GLN A 82 -10.367 5.658 -7.218 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.002 8.642 -7.064 1.00 0.00 C ATOM 1342 CG GLN A 82 -9.796 9.949 -7.114 1.00 0.00 C ATOM 1343 CD GLN A 82 -11.242 9.696 -7.546 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -11.514 9.084 -8.565 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.151 10.201 -6.717 1.00 0.00 N ATOM 0 H GLN A 82 -8.180 8.269 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.707 7.871 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.976 8.847 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.956 8.202 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.784 10.424 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.321 10.641 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.855 10.703 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.144 10.086 -6.918 1.00 0.00 H new ATOM 1354 N TYR A 83 -8.312 5.646 -6.271 1.00 0.00 N ATOM 1355 CA TYR A 83 -8.013 4.283 -6.674 1.00 0.00 C ATOM 1356 C TYR A 83 -8.812 3.277 -5.844 1.00 0.00 C ATOM 1357 O TYR A 83 -9.072 2.162 -6.293 1.00 0.00 O ATOM 1358 CB TYR A 83 -6.521 4.081 -6.401 1.00 0.00 C ATOM 1359 CG TYR A 83 -6.110 2.615 -6.249 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -6.440 1.922 -5.101 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -5.408 1.988 -7.257 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -6.053 0.542 -4.958 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -5.019 0.608 -7.113 1.00 0.00 C ATOM 1364 CZ TYR A 83 -5.361 -0.047 -5.971 1.00 0.00 C ATOM 1365 OH TYR A 83 -4.996 -1.349 -5.835 1.00 0.00 O ATOM 0 H TYR A 83 -7.571 6.108 -5.744 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.272 4.127 -7.721 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.949 4.525 -7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.252 4.619 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.988 2.414 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.150 2.531 -8.154 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.306 -0.013 -4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.468 0.105 -7.894 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.099 -1.398 -5.444 1.00 0.00 H new ATOM 1375 N LEU A 84 -9.179 3.707 -4.645 1.00 0.00 N ATOM 1376 CA LEU A 84 -9.943 2.858 -3.747 1.00 0.00 C ATOM 1377 C LEU A 84 -11.361 2.686 -4.297 1.00 0.00 C ATOM 1378 O LEU A 84 -11.857 1.567 -4.404 1.00 0.00 O ATOM 1379 CB LEU A 84 -9.900 3.411 -2.321 1.00 0.00 C ATOM 1380 CG LEU A 84 -8.716 2.961 -1.463 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -8.772 1.455 -1.196 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -7.388 3.380 -2.097 1.00 0.00 C ATOM 0 H LEU A 84 -8.961 4.632 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.499 1.864 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.891 4.500 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.821 3.124 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.785 3.462 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.919 1.162 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.696 1.213 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.741 0.916 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.563 3.048 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.297 2.926 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.357 4.465 -2.193 1.00 0.00 H new ATOM 1394 N LYS A 85 -11.972 3.814 -4.631 1.00 0.00 N ATOM 1395 CA LYS A 85 -13.323 3.802 -5.167 1.00 0.00 C ATOM 1396 C LYS A 85 -13.320 3.105 -6.528 1.00 0.00 C ATOM 1397 O LYS A 85 -14.013 2.106 -6.720 1.00 0.00 O ATOM 1398 CB LYS A 85 -13.896 5.220 -5.204 1.00 0.00 C ATOM 1399 CG LYS A 85 -15.385 5.199 -5.554 1.00 0.00 C ATOM 1400 CD LYS A 85 -16.093 6.444 -5.013 1.00 0.00 C ATOM 1401 CE LYS A 85 -17.126 6.965 -6.013 1.00 0.00 C ATOM 1402 NZ LYS A 85 -18.036 7.935 -5.362 1.00 0.00 N ATOM 0 H LYS A 85 -11.557 4.741 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.986 3.231 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.753 5.700 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.354 5.816 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.507 5.148 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.847 4.304 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.583 6.207 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.359 7.222 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.620 7.440 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.702 6.132 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.731 8.279 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.533 7.471 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.484 8.738 -4.998 1.00 0.00 H new ATOM 1416 N THR A 86 -12.532 3.657 -7.440 1.00 0.00 N ATOM 1417 CA THR A 86 -12.430 3.100 -8.778 1.00 0.00 C ATOM 1418 C THR A 86 -12.157 1.597 -8.711 1.00 0.00 C ATOM 1419 O THR A 86 -12.448 0.865 -9.656 1.00 0.00 O ATOM 1420 CB THR A 86 -11.353 3.880 -9.534 1.00 0.00 C ATOM 1421 OG1 THR A 86 -11.676 3.676 -10.907 1.00 0.00 O ATOM 1422 CG2 THR A 86 -9.964 3.258 -9.382 1.00 0.00 C ATOM 0 H THR A 86 -11.958 4.485 -7.278 1.00 0.00 H new ATOM 0 HA THR A 86 -13.369 3.204 -9.322 1.00 0.00 H new ATOM 0 HB THR A 86 -11.331 4.909 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.028 4.149 -11.469 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.237 3.850 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.687 3.240 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.977 2.240 -9.772 1.00 0.00 H new ATOM 1430 N PHE A 87 -11.601 1.179 -7.583 1.00 0.00 N ATOM 1431 CA PHE A 87 -11.284 -0.225 -7.380 1.00 0.00 C ATOM 1432 C PHE A 87 -12.465 -0.966 -6.748 1.00 0.00 C ATOM 1433 O PHE A 87 -12.708 -2.132 -7.059 1.00 0.00 O ATOM 1434 CB PHE A 87 -10.092 -0.280 -6.423 1.00 0.00 C ATOM 1435 CG PHE A 87 -9.844 -1.664 -5.818 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -9.068 -2.565 -6.477 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -10.398 -1.992 -4.619 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -8.838 -3.849 -5.916 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -10.168 -3.275 -4.058 1.00 0.00 C ATOM 1440 CZ PHE A 87 -9.393 -4.177 -4.718 1.00 0.00 C ATOM 0 H PHE A 87 -11.362 1.788 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.060 -0.699 -8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.196 0.038 -6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.254 0.435 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.626 -2.304 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.013 -1.276 -4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.223 -4.565 -6.440 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -10.608 -3.535 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.218 -5.154 -4.291 1.00 0.00 H new ATOM 1450 N HIS A 88 -13.166 -0.261 -5.874 1.00 0.00 N ATOM 1451 CA HIS A 88 -14.314 -0.838 -5.196 1.00 0.00 C ATOM 1452 C HIS A 88 -15.466 -1.004 -6.189 1.00 0.00 C ATOM 1453 O HIS A 88 -16.071 -2.071 -6.272 1.00 0.00 O ATOM 1454 CB HIS A 88 -14.701 -0.003 -3.973 1.00 0.00 C ATOM 1455 CG HIS A 88 -14.684 -0.772 -2.674 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -13.976 -0.350 -1.563 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -15.294 -1.940 -2.321 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -14.160 -1.231 -0.590 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -14.976 -2.216 -1.063 1.00 0.00 N ATOM 0 H HIS A 88 -12.961 0.705 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.058 -1.829 -4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -14.018 0.842 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -15.699 0.408 -4.127 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -15.928 -2.539 -2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -13.738 -1.178 0.403 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -15.290 -3.031 -0.536 1.00 0.00 H new ATOM 1467 N LEU A 89 -15.736 0.070 -6.918 1.00 0.00 N ATOM 1468 CA LEU A 89 -16.804 0.058 -7.902 1.00 0.00 C ATOM 1469 C LEU A 89 -16.686 -1.202 -8.762 1.00 0.00 C ATOM 1470 O LEU A 89 -17.616 -2.005 -8.824 1.00 0.00 O ATOM 1471 CB LEU A 89 -16.804 1.357 -8.711 1.00 0.00 C ATOM 1472 CG LEU A 89 -17.052 2.642 -7.916 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -16.823 3.878 -8.789 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -18.446 2.635 -7.286 1.00 0.00 C ATOM 0 H LEU A 89 -15.233 0.954 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.775 0.018 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -15.843 1.446 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.567 1.279 -9.486 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.330 2.686 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -17.006 4.778 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.795 3.883 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.506 3.855 -9.638 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -18.597 3.558 -6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.199 2.558 -8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -18.536 1.784 -6.611 1.00 0.00 H new ATOM 1486 N GLU A 90 -15.535 -1.336 -9.402 1.00 0.00 N ATOM 1487 CA GLU A 90 -15.282 -2.484 -10.257 1.00 0.00 C ATOM 1488 C GLU A 90 -13.791 -2.823 -10.264 1.00 0.00 C ATOM 1489 O GLU A 90 -12.947 -1.927 -10.282 1.00 0.00 O ATOM 1490 CB GLU A 90 -15.796 -2.235 -11.677 1.00 0.00 C ATOM 1491 CG GLU A 90 -16.906 -3.222 -12.039 1.00 0.00 C ATOM 1492 CD GLU A 90 -17.252 -3.137 -13.527 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -18.084 -2.270 -13.867 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -16.675 -3.942 -14.291 1.00 0.00 O ATOM 0 H GLU A 90 -14.766 -0.668 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.826 -3.339 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -16.171 -1.215 -11.758 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.974 -2.330 -12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -16.590 -4.236 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.794 -3.011 -11.443 1.00 0.00 H new ATOM 1501 N HIS A 91 -13.510 -4.117 -10.250 1.00 0.00 N ATOM 1502 CA HIS A 91 -12.133 -4.584 -10.255 1.00 0.00 C ATOM 1503 C HIS A 91 -11.833 -5.281 -11.583 1.00 0.00 C ATOM 1504 O HIS A 91 -10.980 -4.828 -12.347 1.00 0.00 O ATOM 1505 CB HIS A 91 -11.859 -5.477 -9.042 1.00 0.00 C ATOM 1506 CG HIS A 91 -12.870 -6.581 -8.850 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -14.194 -6.531 -8.523 1.00 0.00 N flip ATOM 1508 CD2 HIS A 91 -12.554 -7.921 -8.993 1.00 0.00 C flip ATOM 1509 CE1 HIS A 91 -14.660 -7.771 -8.472 1.00 0.00 C flip ATOM 1510 NE2 HIS A 91 -13.645 -8.635 -8.762 1.00 0.00 N flip ATOM 0 H HIS A 91 -14.212 -4.857 -10.235 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.456 -3.734 -10.169 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.869 -5.920 -9.146 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.838 -4.858 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.582 -8.317 -9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.677 -8.051 -8.239 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -13.714 -9.652 -8.795 1.00 0.00 H new ATOM 1518 N HIS A 92 -12.549 -6.369 -11.819 1.00 0.00 N ATOM 1519 CA HIS A 92 -12.370 -7.133 -13.043 1.00 0.00 C ATOM 1520 C HIS A 92 -10.955 -7.716 -13.082 1.00 0.00 C ATOM 1521 O HIS A 92 -10.083 -7.190 -13.770 1.00 0.00 O ATOM 1522 CB HIS A 92 -12.693 -6.277 -14.269 1.00 0.00 C ATOM 1523 CG HIS A 92 -13.708 -6.897 -15.199 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -13.613 -6.810 -16.578 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -14.838 -7.614 -14.936 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -14.646 -7.447 -17.109 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -15.404 -7.945 -16.090 1.00 0.00 N ATOM 0 H HIS A 92 -13.255 -6.741 -11.184 1.00 0.00 H new ATOM 0 HA HIS A 92 -13.070 -7.968 -13.061 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -13.065 -5.308 -13.936 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.773 -6.092 -14.823 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -15.209 -7.869 -13.955 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.852 -7.553 -18.164 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -16.264 -8.483 -16.197 1.00 0.00 H new ATOM 1535 N HIS A 93 -10.773 -8.794 -12.334 1.00 0.00 N ATOM 1536 CA HIS A 93 -9.480 -9.452 -12.275 1.00 0.00 C ATOM 1537 C HIS A 93 -9.140 -10.041 -13.645 1.00 0.00 C ATOM 1538 O HIS A 93 -10.003 -10.609 -14.312 1.00 0.00 O ATOM 1539 CB HIS A 93 -9.454 -10.498 -11.157 1.00 0.00 C ATOM 1540 CG HIS A 93 -8.520 -10.160 -10.020 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -7.165 -10.444 -10.052 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -8.758 -9.557 -8.821 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -6.623 -10.028 -8.917 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -7.613 -9.479 -8.155 1.00 0.00 N ATOM 0 H HIS A 93 -11.499 -9.228 -11.764 1.00 0.00 H new ATOM 0 HA HIS A 93 -8.708 -8.723 -12.030 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.463 -10.617 -10.762 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.162 -11.459 -11.580 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -9.717 -9.203 -8.472 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.581 -10.109 -8.643 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -7.493 -9.075 -7.226 1.00 0.00 H new ATOM 1552 N HIS A 94 -7.880 -9.884 -14.026 1.00 0.00 N ATOM 1553 CA HIS A 94 -7.415 -10.393 -15.305 1.00 0.00 C ATOM 1554 C HIS A 94 -6.261 -11.370 -15.080 1.00 0.00 C ATOM 1555 O HIS A 94 -5.231 -11.002 -14.517 1.00 0.00 O ATOM 1556 CB HIS A 94 -7.043 -9.242 -16.243 1.00 0.00 C ATOM 1557 CG HIS A 94 -6.452 -9.690 -17.559 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -6.451 -10.911 -18.166 1.00 0.00 N flip ATOM 1559 CD2 HIS A 94 -5.764 -8.835 -18.401 1.00 0.00 C flip ATOM 1560 CE1 HIS A 94 -5.800 -10.807 -19.317 1.00 0.00 C flip ATOM 1561 NE2 HIS A 94 -5.372 -9.521 -19.464 1.00 0.00 N flip ATOM 0 H HIS A 94 -7.167 -9.411 -13.471 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.218 -10.942 -15.796 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.933 -8.645 -16.440 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.329 -8.591 -15.738 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.578 -7.786 -18.222 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.636 -11.609 -20.022 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.843 -9.152 -20.254 1.00 0.00 H new ATOM 1569 N HIS A 95 -6.472 -12.599 -15.530 1.00 0.00 N ATOM 1570 CA HIS A 95 -5.461 -13.633 -15.385 1.00 0.00 C ATOM 1571 C HIS A 95 -4.337 -13.397 -16.396 1.00 0.00 C ATOM 1572 O HIS A 95 -4.558 -13.479 -17.603 1.00 0.00 O ATOM 1573 CB HIS A 95 -6.087 -15.023 -15.506 1.00 0.00 C ATOM 1574 CG HIS A 95 -5.169 -16.148 -15.093 1.00 0.00 C ATOM 1575 ND1 HIS A 95 -5.162 -17.382 -15.721 1.00 0.00 N ATOM 1576 CD2 HIS A 95 -4.224 -16.213 -14.111 1.00 0.00 C ATOM 1577 CE1 HIS A 95 -4.254 -18.146 -15.133 1.00 0.00 C ATOM 1578 NE2 HIS A 95 -3.674 -17.420 -14.135 1.00 0.00 N ATOM 0 H HIS A 95 -7.328 -12.902 -15.995 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.022 -13.582 -14.389 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.988 -15.059 -14.893 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.398 -15.182 -16.539 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.967 -15.416 -13.429 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.015 -19.165 -15.398 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -2.939 -17.750 -13.510 1.00 0.00 H new ATOM 1586 N HIS A 96 -3.158 -13.111 -15.865 1.00 0.00 N ATOM 1587 CA HIS A 96 -1.999 -12.864 -16.706 1.00 0.00 C ATOM 1588 C HIS A 96 -2.338 -11.795 -17.746 1.00 0.00 C ATOM 1589 O HIS A 96 -1.828 -10.677 -17.682 1.00 0.00 O ATOM 1590 CB HIS A 96 -1.497 -14.166 -17.336 1.00 0.00 C ATOM 1591 CG HIS A 96 -0.748 -13.971 -18.634 1.00 0.00 C ATOM 1592 ND1 HIS A 96 0.219 -13.074 -18.978 1.00 0.00 N flip ATOM 1593 CD2 HIS A 96 -0.971 -14.756 -19.752 1.00 0.00 C flip ATOM 1594 CE1 HIS A 96 0.570 -13.299 -20.239 1.00 0.00 C flip ATOM 1595 NE2 HIS A 96 -0.166 -14.341 -20.720 1.00 0.00 N flip ATOM 0 H HIS A 96 -2.980 -13.045 -14.863 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.179 -12.483 -16.098 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.845 -14.674 -16.625 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.348 -14.823 -17.515 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.680 -15.568 -19.823 1.00 0.00 H new ATOM 0 HE1 HIS A 96 1.316 -12.747 -20.792 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.107 -14.733 -21.660 1.00 0.00 H new TER 1603 HIS A 96