USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.442 K(o=1.6,f=-4.6!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 1.32 K(o=1.6,f=-7.1!) USER MOD Set 2.2: A 6 SER OG : rot -105:sc= 0.302 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.213) USER MOD Single : A 8 SER OG : rot -35:sc= 0.0639 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -94:sc= 0.306 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 34 ASN : amide:sc= 0.557 K(o=0.56,f=-8.6!) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc=-0.00561 (180deg=-0.0948) USER MOD Single : A 44 THR OG1 : rot -151:sc= -0.899! USER MOD Single : A 46 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-9.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 54 TYR OH : rot 48:sc= 1.25 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -179:sc= 0.842 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 81 SER OG : rot -100:sc= -0.376 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= 0.26 (180deg=0.0437) USER MOD Single : A 85 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 14.033 12.191 -8.892 1.00 0.00 N ATOM 2 CA GLU A 2 12.750 12.688 -8.435 1.00 0.00 C ATOM 3 C GLU A 2 12.397 12.009 -7.138 1.00 0.00 C ATOM 4 O GLU A 2 12.427 10.779 -7.040 1.00 0.00 O ATOM 5 CB GLU A 2 11.663 12.420 -9.474 1.00 0.00 C ATOM 6 CG GLU A 2 10.275 12.885 -9.053 1.00 0.00 C ATOM 7 CD GLU A 2 9.198 12.468 -10.013 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.752 11.305 -9.948 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.755 13.293 -10.834 1.00 0.00 O ATOM 0 HA GLU A 2 12.818 13.766 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.934 12.917 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.629 11.351 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.048 12.484 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.274 13.971 -8.964 1.00 0.00 H new ATOM 16 N LEU A 3 12.060 12.787 -6.158 1.00 0.00 N ATOM 17 CA LEU A 3 11.706 12.261 -4.872 1.00 0.00 C ATOM 18 C LEU A 3 10.341 12.687 -4.454 1.00 0.00 C ATOM 19 O LEU A 3 9.968 13.853 -4.576 1.00 0.00 O ATOM 20 CB LEU A 3 12.732 12.610 -3.791 1.00 0.00 C ATOM 21 CG LEU A 3 14.003 11.760 -3.763 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.962 12.288 -2.708 1.00 0.00 C ATOM 23 CD2 LEU A 3 13.647 10.299 -3.470 1.00 0.00 C ATOM 0 H LEU A 3 12.022 13.804 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 3 11.705 11.177 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.021 13.653 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.245 12.530 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 3 14.489 11.817 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.864 11.675 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.227 13.319 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.484 12.248 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.557 9.699 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.149 10.233 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.981 9.924 -4.247 1.00 0.00 H new ATOM 35 N LYS A 4 9.599 11.733 -3.983 1.00 0.00 N ATOM 36 CA LYS A 4 8.282 11.955 -3.463 1.00 0.00 C ATOM 37 C LYS A 4 8.335 12.505 -2.049 1.00 0.00 C ATOM 38 O LYS A 4 9.198 12.128 -1.259 1.00 0.00 O ATOM 39 CB LYS A 4 7.408 10.681 -3.561 1.00 0.00 C ATOM 40 CG LYS A 4 8.168 9.327 -3.522 1.00 0.00 C ATOM 41 CD LYS A 4 8.996 9.075 -2.264 1.00 0.00 C ATOM 42 CE LYS A 4 8.182 8.963 -0.988 1.00 0.00 C ATOM 43 NZ LYS A 4 9.034 8.576 0.154 1.00 0.00 N ATOM 0 H LYS A 4 9.896 10.758 -3.948 1.00 0.00 H new ATOM 0 HA LYS A 4 7.803 12.712 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.689 10.694 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.837 10.727 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.443 8.520 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.829 9.276 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.567 8.156 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.717 9.885 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.697 9.916 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.390 8.226 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.517 8.735 1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.285 7.570 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.901 9.150 0.151 1.00 0.00 H new ATOM 57 N HIS A 5 7.443 13.405 -1.748 1.00 0.00 N ATOM 58 CA HIS A 5 7.408 14.027 -0.428 1.00 0.00 C ATOM 59 C HIS A 5 6.610 13.166 0.568 1.00 0.00 C ATOM 60 O HIS A 5 6.834 13.231 1.772 1.00 0.00 O ATOM 61 CB HIS A 5 6.807 15.461 -0.506 1.00 0.00 C ATOM 62 CG HIS A 5 5.334 15.499 -0.801 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.792 15.163 -2.008 1.00 0.00 N ATOM 64 CD2 HIS A 5 4.290 15.733 0.018 1.00 0.00 C ATOM 65 CE1 HIS A 5 3.480 15.181 -1.900 1.00 0.00 C ATOM 66 NE2 HIS A 5 3.110 15.529 -0.682 1.00 0.00 N ATOM 0 H HIS A 5 6.723 13.734 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 5 8.435 14.102 -0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.989 15.971 0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.335 16.022 -1.277 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.316 14.936 -2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.361 16.032 1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.797 14.943 -2.702 1.00 0.00 H new ATOM 74 N SER A 6 5.683 12.370 0.057 1.00 0.00 N ATOM 75 CA SER A 6 4.820 11.569 0.904 1.00 0.00 C ATOM 76 C SER A 6 4.160 10.506 0.057 1.00 0.00 C ATOM 77 O SER A 6 4.535 10.315 -1.110 1.00 0.00 O ATOM 78 CB SER A 6 3.721 12.464 1.493 1.00 0.00 C ATOM 79 OG SER A 6 2.830 12.905 0.474 1.00 0.00 O ATOM 0 H SER A 6 5.511 12.263 -0.943 1.00 0.00 H new ATOM 0 HA SER A 6 5.406 11.115 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.167 11.915 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.172 13.325 1.986 1.00 0.00 H new ATOM 0 HG SER A 6 3.007 13.847 0.270 1.00 0.00 H new ATOM 85 N ILE A 7 3.171 9.836 0.630 1.00 0.00 N ATOM 86 CA ILE A 7 2.359 8.873 -0.083 1.00 0.00 C ATOM 87 C ILE A 7 1.441 9.612 -1.071 1.00 0.00 C ATOM 88 O ILE A 7 1.076 9.088 -2.113 1.00 0.00 O ATOM 89 CB ILE A 7 1.487 8.043 0.901 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.717 6.951 0.145 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.547 8.944 1.700 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.132 6.078 1.021 1.00 0.00 C ATOM 0 H ILE A 7 2.911 9.949 1.610 1.00 0.00 H new ATOM 0 HA ILE A 7 3.022 8.194 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 7 2.148 7.553 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.081 7.423 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.430 6.325 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.050 8.336 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.132 9.662 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.113 9.478 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.641 5.334 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.499 5.575 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.871 6.690 1.538 1.00 0.00 H new ATOM 104 N SER A 8 1.151 10.870 -0.759 1.00 0.00 N ATOM 105 CA SER A 8 0.239 11.682 -1.526 1.00 0.00 C ATOM 106 C SER A 8 0.946 12.185 -2.790 1.00 0.00 C ATOM 107 O SER A 8 0.365 12.851 -3.627 1.00 0.00 O ATOM 108 CB SER A 8 -0.256 12.849 -0.644 1.00 0.00 C ATOM 109 OG SER A 8 -1.302 13.587 -1.251 1.00 0.00 O ATOM 0 H SER A 8 1.552 11.352 0.045 1.00 0.00 H new ATOM 0 HA SER A 8 -0.627 11.099 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.602 12.455 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.578 13.517 -0.431 1.00 0.00 H new ATOM 0 HG SER A 8 -1.156 13.625 -2.219 1.00 0.00 H new ATOM 115 N ASP A 9 2.221 11.875 -2.899 1.00 0.00 N ATOM 116 CA ASP A 9 2.981 12.207 -4.096 1.00 0.00 C ATOM 117 C ASP A 9 2.763 11.099 -5.142 1.00 0.00 C ATOM 118 O ASP A 9 3.044 11.264 -6.331 1.00 0.00 O ATOM 119 CB ASP A 9 4.449 12.285 -3.751 1.00 0.00 C ATOM 120 CG ASP A 9 5.257 13.193 -4.658 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.216 13.068 -5.887 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.954 14.072 -4.118 1.00 0.00 O ATOM 0 H ASP A 9 2.757 11.394 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 9 2.650 13.167 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.550 12.634 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.873 11.282 -3.790 1.00 0.00 H new ATOM 127 N TYR A 10 2.266 9.969 -4.680 1.00 0.00 N ATOM 128 CA TYR A 10 1.963 8.830 -5.533 1.00 0.00 C ATOM 129 C TYR A 10 0.520 8.905 -5.901 1.00 0.00 C ATOM 130 O TYR A 10 -0.297 9.300 -5.075 1.00 0.00 O ATOM 131 CB TYR A 10 2.143 7.507 -4.783 1.00 0.00 C ATOM 132 CG TYR A 10 3.543 7.098 -4.410 1.00 0.00 C ATOM 133 CD1 TYR A 10 4.308 7.823 -3.499 1.00 0.00 C ATOM 134 CD2 TYR A 10 4.081 5.927 -4.924 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.534 7.398 -3.130 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.337 5.502 -4.555 1.00 0.00 C ATOM 137 CZ TYR A 10 6.058 6.247 -3.652 1.00 0.00 C ATOM 138 OH TYR A 10 7.305 5.832 -3.247 1.00 0.00 O ATOM 0 H TYR A 10 2.058 9.811 -3.694 1.00 0.00 H new ATOM 0 HA TYR A 10 2.630 8.862 -6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.553 7.558 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.714 6.714 -5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.914 8.738 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.505 5.340 -5.624 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.107 7.971 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.751 4.595 -4.970 1.00 0.00 H new ATOM 0 HH TYR A 10 7.537 4.998 -3.706 1.00 0.00 H new ATOM 148 N THR A 11 0.181 8.543 -7.103 1.00 0.00 N ATOM 149 CA THR A 11 -1.210 8.493 -7.455 1.00 0.00 C ATOM 150 C THR A 11 -1.810 7.214 -6.895 1.00 0.00 C ATOM 151 O THR A 11 -1.067 6.274 -6.529 1.00 0.00 O ATOM 152 CB THR A 11 -1.429 8.567 -8.982 1.00 0.00 C ATOM 153 OG1 THR A 11 -0.724 7.510 -9.624 1.00 0.00 O ATOM 154 CG2 THR A 11 -0.955 9.892 -9.541 1.00 0.00 C ATOM 0 H THR A 11 0.832 8.283 -7.844 1.00 0.00 H new ATOM 0 HA THR A 11 -1.706 9.363 -7.025 1.00 0.00 H new ATOM 0 HB THR A 11 -2.498 8.472 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.156 7.831 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.123 9.913 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.510 10.704 -9.071 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.109 10.013 -9.337 1.00 0.00 H new ATOM 162 N GLU A 12 -3.116 7.176 -6.831 1.00 0.00 N ATOM 163 CA GLU A 12 -3.849 6.043 -6.305 1.00 0.00 C ATOM 164 C GLU A 12 -3.473 4.776 -7.075 1.00 0.00 C ATOM 165 O GLU A 12 -3.201 3.738 -6.479 1.00 0.00 O ATOM 166 CB GLU A 12 -5.339 6.333 -6.414 1.00 0.00 C ATOM 167 CG GLU A 12 -6.255 5.293 -5.820 1.00 0.00 C ATOM 168 CD GLU A 12 -7.685 5.694 -5.994 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.197 6.472 -5.176 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.317 5.278 -6.984 1.00 0.00 O ATOM 0 H GLU A 12 -3.713 7.940 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.595 5.882 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.541 7.288 -5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.591 6.452 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.080 4.330 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.033 5.167 -4.760 1.00 0.00 H new ATOM 177 N ALA A 13 -3.387 4.905 -8.390 1.00 0.00 N ATOM 178 CA ALA A 13 -3.035 3.800 -9.262 1.00 0.00 C ATOM 179 C ALA A 13 -1.598 3.321 -9.023 1.00 0.00 C ATOM 180 O ALA A 13 -1.363 2.135 -8.952 1.00 0.00 O ATOM 181 CB ALA A 13 -3.245 4.183 -10.719 1.00 0.00 C ATOM 0 H ALA A 13 -3.560 5.782 -8.882 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.696 2.967 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.976 3.342 -11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.292 4.441 -10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.618 5.040 -10.964 1.00 0.00 H new ATOM 187 N GLU A 14 -0.656 4.251 -8.841 1.00 0.00 N ATOM 188 CA GLU A 14 0.758 3.889 -8.605 1.00 0.00 C ATOM 189 C GLU A 14 0.934 3.221 -7.274 1.00 0.00 C ATOM 190 O GLU A 14 1.798 2.356 -7.104 1.00 0.00 O ATOM 191 CB GLU A 14 1.641 5.095 -8.644 1.00 0.00 C ATOM 192 CG GLU A 14 1.743 5.736 -9.980 1.00 0.00 C ATOM 193 CD GLU A 14 2.481 7.007 -9.880 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.870 8.003 -9.447 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.692 7.035 -10.177 1.00 0.00 O ATOM 0 H GLU A 14 -0.838 5.255 -8.851 1.00 0.00 H new ATOM 0 HA GLU A 14 1.040 3.201 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.266 5.828 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.640 4.810 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.250 5.066 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.746 5.917 -10.382 1.00 0.00 H new ATOM 202 N PHE A 15 0.147 3.638 -6.324 1.00 0.00 N ATOM 203 CA PHE A 15 0.164 3.019 -5.037 1.00 0.00 C ATOM 204 C PHE A 15 -0.485 1.673 -5.142 1.00 0.00 C ATOM 205 O PHE A 15 -0.110 0.751 -4.491 1.00 0.00 O ATOM 206 CB PHE A 15 -0.522 3.869 -3.994 1.00 0.00 C ATOM 207 CG PHE A 15 -0.453 3.263 -2.633 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.623 3.518 -1.815 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.464 2.425 -2.176 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.693 2.959 -0.570 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.397 1.869 -0.935 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.321 2.137 -0.133 1.00 0.00 C ATOM 0 H PHE A 15 -0.516 4.407 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 15 1.199 2.907 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.061 4.856 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.566 4.010 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.417 4.164 -2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.311 2.213 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.540 3.161 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.187 1.221 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.267 1.699 0.853 1.00 0.00 H new ATOM 222 N LEU A 16 -1.435 1.559 -5.977 1.00 0.00 N ATOM 223 CA LEU A 16 -2.069 0.296 -6.183 1.00 0.00 C ATOM 224 C LEU A 16 -1.124 -0.628 -6.957 1.00 0.00 C ATOM 225 O LEU A 16 -1.231 -1.849 -6.918 1.00 0.00 O ATOM 226 CB LEU A 16 -3.436 0.529 -6.817 1.00 0.00 C ATOM 227 CG LEU A 16 -4.326 -0.654 -6.950 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.759 -0.229 -6.824 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.155 -1.285 -8.269 1.00 0.00 C ATOM 0 H LEU A 16 -1.805 2.324 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.267 -0.227 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.959 1.283 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.282 0.951 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.064 -1.362 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.407 -1.100 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.917 0.233 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.996 0.490 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.815 -2.149 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.403 -0.567 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.120 -1.607 -8.387 1.00 0.00 H new ATOM 241 N GLU A 17 -0.200 -0.028 -7.606 1.00 0.00 N ATOM 242 CA GLU A 17 0.896 -0.726 -8.188 1.00 0.00 C ATOM 243 C GLU A 17 1.925 -1.144 -7.097 1.00 0.00 C ATOM 244 O GLU A 17 2.736 -2.026 -7.346 1.00 0.00 O ATOM 245 CB GLU A 17 1.581 0.076 -9.291 1.00 0.00 C ATOM 246 CG GLU A 17 0.742 0.341 -10.524 1.00 0.00 C ATOM 247 CD GLU A 17 1.524 1.096 -11.568 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.344 0.452 -12.293 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.370 2.329 -11.679 1.00 0.00 O ATOM 0 H GLU A 17 -0.178 0.981 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 17 0.488 -1.624 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.898 1.033 -8.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.483 -0.455 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.395 -0.605 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.144 0.912 -10.247 1.00 0.00 H new ATOM 256 N PHE A 18 1.891 -0.482 -5.887 1.00 0.00 N ATOM 257 CA PHE A 18 2.825 -0.800 -4.750 1.00 0.00 C ATOM 258 C PHE A 18 2.690 -2.238 -4.438 1.00 0.00 C ATOM 259 O PHE A 18 3.643 -2.985 -4.425 1.00 0.00 O ATOM 260 CB PHE A 18 2.537 0.073 -3.411 1.00 0.00 C ATOM 261 CG PHE A 18 1.804 -0.615 -2.161 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.402 -0.761 -2.088 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.534 -1.089 -1.076 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.216 -1.363 -0.971 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.912 -1.676 0.023 1.00 0.00 C ATOM 266 CZ PHE A 18 0.547 -1.812 0.070 1.00 0.00 C ATOM 0 H PHE A 18 1.232 0.268 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 18 3.836 -0.545 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.495 0.455 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.939 0.935 -3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.210 -0.405 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.610 -1.000 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.290 -1.469 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.511 -2.029 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.078 -2.272 0.927 1.00 0.00 H new ATOM 276 N VAL A 19 1.478 -2.613 -4.281 1.00 0.00 N ATOM 277 CA VAL A 19 1.121 -3.918 -3.871 1.00 0.00 C ATOM 278 C VAL A 19 1.340 -4.934 -4.978 1.00 0.00 C ATOM 279 O VAL A 19 1.776 -6.049 -4.724 1.00 0.00 O ATOM 280 CB VAL A 19 -0.324 -3.928 -3.327 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.315 -3.417 -4.335 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.709 -5.271 -2.764 1.00 0.00 C ATOM 0 H VAL A 19 0.679 -2.000 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 19 1.779 -4.220 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.351 -3.227 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.317 -3.443 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.063 -2.392 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.285 -4.045 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.733 -5.230 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.636 -6.028 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.037 -5.529 -1.945 1.00 0.00 H new ATOM 292 N LYS A 20 1.087 -4.528 -6.199 1.00 0.00 N ATOM 293 CA LYS A 20 1.320 -5.395 -7.336 1.00 0.00 C ATOM 294 C LYS A 20 2.824 -5.654 -7.492 1.00 0.00 C ATOM 295 O LYS A 20 3.257 -6.735 -7.874 1.00 0.00 O ATOM 296 CB LYS A 20 0.742 -4.788 -8.603 1.00 0.00 C ATOM 297 CG LYS A 20 -0.752 -4.630 -8.518 1.00 0.00 C ATOM 298 CD LYS A 20 -1.349 -4.183 -9.813 1.00 0.00 C ATOM 299 CE LYS A 20 -2.858 -4.083 -9.729 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.473 -3.784 -11.030 1.00 0.00 N ATOM 0 H LYS A 20 0.721 -3.605 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 20 0.816 -6.346 -7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.200 -3.815 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.992 -5.420 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.199 -5.579 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.995 -3.907 -7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.935 -3.213 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.074 -4.883 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.261 -5.021 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.129 -3.305 -9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.506 -3.726 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.111 -2.876 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.239 -4.538 -11.706 1.00 0.00 H new ATOM 314 N LYS A 21 3.606 -4.645 -7.133 1.00 0.00 N ATOM 315 CA LYS A 21 5.057 -4.713 -7.154 1.00 0.00 C ATOM 316 C LYS A 21 5.508 -5.689 -6.092 1.00 0.00 C ATOM 317 O LYS A 21 6.371 -6.491 -6.327 1.00 0.00 O ATOM 318 CB LYS A 21 5.653 -3.331 -6.849 1.00 0.00 C ATOM 319 CG LYS A 21 7.125 -3.169 -7.191 1.00 0.00 C ATOM 320 CD LYS A 21 7.676 -1.810 -6.726 1.00 0.00 C ATOM 321 CE LYS A 21 6.893 -0.610 -7.291 1.00 0.00 C ATOM 322 NZ LYS A 21 6.901 -0.546 -8.774 1.00 0.00 N ATOM 0 H LYS A 21 3.244 -3.746 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 21 5.393 -5.037 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.085 -2.579 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.518 -3.121 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.697 -3.971 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.260 -3.266 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.653 -1.770 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.721 -1.727 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.862 -0.662 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.318 0.311 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.357 0.283 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.881 -0.466 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.470 -1.410 -9.161 1.00 0.00 H new ATOM 336 N ILE A 22 4.889 -5.611 -4.936 1.00 0.00 N ATOM 337 CA ILE A 22 5.211 -6.483 -3.818 1.00 0.00 C ATOM 338 C ILE A 22 4.790 -7.930 -4.118 1.00 0.00 C ATOM 339 O ILE A 22 5.452 -8.885 -3.730 1.00 0.00 O ATOM 340 CB ILE A 22 4.581 -5.963 -2.506 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.054 -4.531 -2.264 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.987 -6.848 -1.340 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.471 -3.868 -1.058 1.00 0.00 C ATOM 0 H ILE A 22 4.145 -4.941 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 22 6.292 -6.476 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 22 3.495 -5.983 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.140 -4.534 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.813 -3.932 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.536 -6.470 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.644 -7.867 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.072 -6.843 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.867 -2.856 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.386 -3.826 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.734 -4.438 -0.167 1.00 0.00 H new ATOM 355 N CYS A 23 3.706 -8.079 -4.839 1.00 0.00 N ATOM 356 CA CYS A 23 3.248 -9.387 -5.259 1.00 0.00 C ATOM 357 C CYS A 23 4.332 -10.068 -6.129 1.00 0.00 C ATOM 358 O CYS A 23 4.517 -11.274 -6.077 1.00 0.00 O ATOM 359 CB CYS A 23 1.920 -9.256 -6.027 1.00 0.00 C ATOM 360 SG CYS A 23 1.153 -10.822 -6.501 1.00 0.00 S ATOM 0 H CYS A 23 3.118 -7.306 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 23 3.073 -10.011 -4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.216 -8.696 -5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.095 -8.667 -6.928 1.00 0.00 H new ATOM 0 HG CYS A 23 0.044 -10.587 -7.138 1.00 0.00 H new ATOM 366 N ARG A 24 5.064 -9.273 -6.896 1.00 0.00 N ATOM 367 CA ARG A 24 6.128 -9.775 -7.758 1.00 0.00 C ATOM 368 C ARG A 24 7.536 -9.574 -7.138 1.00 0.00 C ATOM 369 O ARG A 24 8.551 -9.840 -7.777 1.00 0.00 O ATOM 370 CB ARG A 24 6.053 -9.117 -9.134 1.00 0.00 C ATOM 371 CG ARG A 24 6.369 -7.652 -9.138 1.00 0.00 C ATOM 372 CD ARG A 24 6.159 -7.064 -10.492 1.00 0.00 C ATOM 373 NE ARG A 24 6.644 -5.680 -10.552 1.00 0.00 N ATOM 374 CZ ARG A 24 5.967 -4.635 -11.054 1.00 0.00 C ATOM 375 NH1 ARG A 24 4.675 -4.755 -11.387 1.00 0.00 N ATOM 376 NH2 ARG A 24 6.579 -3.458 -11.173 1.00 0.00 N ATOM 0 H ARG A 24 4.938 -8.262 -6.939 1.00 0.00 H new ATOM 0 HA ARG A 24 5.975 -10.849 -7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.744 -9.627 -9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.051 -9.261 -9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.738 -7.138 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.402 -7.498 -8.827 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.678 -7.666 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.099 -7.091 -10.743 1.00 0.00 H new ATOM 0 HE ARG A 24 7.576 -5.496 -10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.196 -5.647 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.170 -3.955 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.552 -3.358 -10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.075 -2.657 -11.553 1.00 0.00 H new ATOM 390 N ALA A 25 7.587 -9.133 -5.903 1.00 0.00 N ATOM 391 CA ALA A 25 8.832 -8.655 -5.294 1.00 0.00 C ATOM 392 C ALA A 25 9.730 -9.708 -4.638 1.00 0.00 C ATOM 393 O ALA A 25 10.585 -9.326 -3.834 1.00 0.00 O ATOM 394 CB ALA A 25 8.543 -7.553 -4.309 1.00 0.00 C ATOM 0 H ALA A 25 6.777 -9.091 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 25 9.412 -8.296 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.477 -7.208 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.057 -6.724 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.885 -7.929 -3.525 1.00 0.00 H new ATOM 400 N GLU A 26 9.592 -10.995 -4.995 1.00 0.00 N ATOM 401 CA GLU A 26 10.473 -12.052 -4.418 1.00 0.00 C ATOM 402 C GLU A 26 11.951 -11.657 -4.555 1.00 0.00 C ATOM 403 O GLU A 26 12.722 -11.755 -3.597 1.00 0.00 O ATOM 404 CB GLU A 26 10.250 -13.410 -5.089 1.00 0.00 C ATOM 405 CG GLU A 26 8.850 -13.957 -4.941 1.00 0.00 C ATOM 406 CD GLU A 26 8.703 -15.323 -5.557 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.543 -15.427 -6.785 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.758 -16.332 -4.823 1.00 0.00 O ATOM 0 H GLU A 26 8.900 -11.335 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 26 10.212 -12.143 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.481 -13.319 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.954 -14.129 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.592 -14.008 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.143 -13.272 -5.409 1.00 0.00 H new ATOM 415 N GLY A 27 12.302 -11.193 -5.751 1.00 0.00 N ATOM 416 CA GLY A 27 13.617 -10.660 -6.050 1.00 0.00 C ATOM 417 C GLY A 27 14.762 -11.558 -5.661 1.00 0.00 C ATOM 418 O GLY A 27 14.776 -12.744 -5.984 1.00 0.00 O ATOM 0 H GLY A 27 11.667 -11.179 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.678 -10.458 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.732 -9.704 -5.538 1.00 0.00 H new ATOM 422 N ALA A 28 15.732 -10.973 -4.993 1.00 0.00 N ATOM 423 CA ALA A 28 16.900 -11.688 -4.521 1.00 0.00 C ATOM 424 C ALA A 28 16.519 -12.665 -3.416 1.00 0.00 C ATOM 425 O ALA A 28 16.905 -13.842 -3.438 1.00 0.00 O ATOM 426 CB ALA A 28 17.943 -10.700 -4.021 1.00 0.00 C ATOM 0 H ALA A 28 15.733 -9.980 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 28 17.321 -12.258 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.819 -11.244 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.233 -10.034 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.525 -10.113 -3.203 1.00 0.00 H new ATOM 432 N THR A 29 15.776 -12.173 -2.457 1.00 0.00 N ATOM 433 CA THR A 29 15.286 -12.931 -1.325 1.00 0.00 C ATOM 434 C THR A 29 14.134 -12.093 -0.743 1.00 0.00 C ATOM 435 O THR A 29 14.045 -10.894 -1.061 1.00 0.00 O ATOM 436 CB THR A 29 16.403 -13.133 -0.232 1.00 0.00 C ATOM 437 OG1 THR A 29 17.621 -13.581 -0.843 1.00 0.00 O ATOM 438 CG2 THR A 29 15.987 -14.181 0.797 1.00 0.00 C ATOM 0 H THR A 29 15.483 -11.196 -2.439 1.00 0.00 H new ATOM 0 HA THR A 29 14.969 -13.928 -1.632 1.00 0.00 H new ATOM 0 HB THR A 29 16.549 -12.171 0.260 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.308 -13.701 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.778 -14.298 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.071 -13.861 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.815 -15.134 0.297 1.00 0.00 H new ATOM 446 N GLU A 30 13.301 -12.691 0.113 1.00 0.00 N ATOM 447 CA GLU A 30 12.108 -12.046 0.715 1.00 0.00 C ATOM 448 C GLU A 30 12.381 -10.686 1.399 1.00 0.00 C ATOM 449 O GLU A 30 11.449 -9.936 1.675 1.00 0.00 O ATOM 450 CB GLU A 30 11.433 -12.996 1.696 1.00 0.00 C ATOM 451 CG GLU A 30 12.343 -13.484 2.809 1.00 0.00 C ATOM 452 CD GLU A 30 11.619 -14.363 3.780 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.532 -15.580 3.547 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.097 -13.848 4.782 1.00 0.00 O ATOM 0 H GLU A 30 13.430 -13.655 0.419 1.00 0.00 H new ATOM 0 HA GLU A 30 11.446 -11.826 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.572 -12.494 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.052 -13.858 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.181 -14.033 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.761 -12.627 3.337 1.00 0.00 H new ATOM 461 N GLU A 31 13.637 -10.387 1.678 1.00 0.00 N ATOM 462 CA GLU A 31 14.020 -9.108 2.263 1.00 0.00 C ATOM 463 C GLU A 31 13.769 -7.956 1.288 1.00 0.00 C ATOM 464 O GLU A 31 13.402 -6.860 1.692 1.00 0.00 O ATOM 465 CB GLU A 31 15.488 -9.127 2.659 1.00 0.00 C ATOM 466 CG GLU A 31 16.412 -9.487 1.511 1.00 0.00 C ATOM 467 CD GLU A 31 17.845 -9.387 1.880 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.329 -10.236 2.635 1.00 0.00 O ATOM 469 OE2 GLU A 31 18.525 -8.456 1.407 1.00 0.00 O ATOM 0 H GLU A 31 14.420 -11.019 1.508 1.00 0.00 H new ATOM 0 HA GLU A 31 13.406 -8.952 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.766 -8.147 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.630 -9.842 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.196 -10.503 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.211 -8.827 0.667 1.00 0.00 H new ATOM 476 N ASP A 32 13.921 -8.234 -0.003 1.00 0.00 N ATOM 477 CA ASP A 32 13.774 -7.207 -1.038 1.00 0.00 C ATOM 478 C ASP A 32 12.297 -6.874 -1.202 1.00 0.00 C ATOM 479 O ASP A 32 11.911 -5.755 -1.557 1.00 0.00 O ATOM 480 CB ASP A 32 14.397 -7.695 -2.357 1.00 0.00 C ATOM 481 CG ASP A 32 14.485 -6.609 -3.409 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.981 -5.513 -3.101 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.077 -6.839 -4.562 1.00 0.00 O ATOM 0 H ASP A 32 14.146 -9.162 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 32 14.301 -6.299 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.396 -8.082 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.806 -8.523 -2.747 1.00 0.00 H new ATOM 488 N ASP A 33 11.499 -7.858 -0.874 1.00 0.00 N ATOM 489 CA ASP A 33 10.046 -7.768 -0.844 1.00 0.00 C ATOM 490 C ASP A 33 9.637 -6.945 0.376 1.00 0.00 C ATOM 491 O ASP A 33 8.940 -5.930 0.279 1.00 0.00 O ATOM 492 CB ASP A 33 9.500 -9.198 -0.716 1.00 0.00 C ATOM 493 CG ASP A 33 8.002 -9.307 -0.662 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.387 -9.349 -1.712 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.429 -9.473 0.450 1.00 0.00 O ATOM 0 H ASP A 33 11.847 -8.780 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 33 9.655 -7.294 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.861 -9.785 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.914 -9.649 0.186 1.00 0.00 H new ATOM 500 N ASN A 34 10.159 -7.367 1.511 1.00 0.00 N ATOM 501 CA ASN A 34 9.921 -6.765 2.822 1.00 0.00 C ATOM 502 C ASN A 34 10.294 -5.290 2.865 1.00 0.00 C ATOM 503 O ASN A 34 9.516 -4.478 3.356 1.00 0.00 O ATOM 504 CB ASN A 34 10.681 -7.606 3.864 1.00 0.00 C ATOM 505 CG ASN A 34 10.751 -7.127 5.309 1.00 0.00 C ATOM 506 OD1 ASN A 34 10.762 -5.954 5.625 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.822 -8.067 6.200 1.00 0.00 N ATOM 0 H ASN A 34 10.786 -8.170 1.554 1.00 0.00 H new ATOM 0 HA ASN A 34 8.855 -6.778 3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.233 -8.600 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.705 -7.720 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.889 -7.828 7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.811 -9.045 5.911 1.00 0.00 H new ATOM 514 N LYS A 35 11.453 -4.926 2.321 1.00 0.00 N ATOM 515 CA LYS A 35 11.883 -3.530 2.347 1.00 0.00 C ATOM 516 C LYS A 35 10.918 -2.614 1.590 1.00 0.00 C ATOM 517 O LYS A 35 10.753 -1.441 1.958 1.00 0.00 O ATOM 518 CB LYS A 35 13.324 -3.347 1.871 1.00 0.00 C ATOM 519 CG LYS A 35 13.596 -3.811 0.461 1.00 0.00 C ATOM 520 CD LYS A 35 15.061 -3.635 0.098 1.00 0.00 C ATOM 521 CE LYS A 35 15.465 -2.165 -0.035 1.00 0.00 C ATOM 522 NZ LYS A 35 14.790 -1.482 -1.174 1.00 0.00 N ATOM 0 H LYS A 35 12.102 -5.566 1.864 1.00 0.00 H new ATOM 0 HA LYS A 35 11.860 -3.228 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.584 -2.291 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.985 -3.887 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.317 -4.860 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.976 -3.248 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.679 -4.110 0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.262 -4.149 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.225 -1.642 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.545 -2.100 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.198 -0.534 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.927 -2.038 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.773 -1.397 -0.974 1.00 0.00 H new ATOM 536 N LEU A 36 10.265 -3.149 0.550 1.00 0.00 N ATOM 537 CA LEU A 36 9.250 -2.390 -0.173 1.00 0.00 C ATOM 538 C LEU A 36 8.092 -2.152 0.751 1.00 0.00 C ATOM 539 O LEU A 36 7.660 -1.019 0.949 1.00 0.00 O ATOM 540 CB LEU A 36 8.742 -3.131 -1.417 1.00 0.00 C ATOM 541 CG LEU A 36 9.741 -3.363 -2.538 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.094 -4.146 -3.656 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.248 -2.043 -3.068 1.00 0.00 C ATOM 0 H LEU A 36 10.422 -4.093 0.198 1.00 0.00 H new ATOM 0 HA LEU A 36 9.701 -1.455 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.357 -4.100 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.900 -2.571 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 36 10.582 -3.933 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.819 -4.307 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.753 -5.109 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.243 -3.588 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.963 -2.224 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.411 -1.460 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.736 -1.492 -2.264 1.00 0.00 H new ATOM 555 N VAL A 37 7.646 -3.232 1.371 1.00 0.00 N ATOM 556 CA VAL A 37 6.536 -3.204 2.302 1.00 0.00 C ATOM 557 C VAL A 37 6.793 -2.170 3.392 1.00 0.00 C ATOM 558 O VAL A 37 5.922 -1.388 3.728 1.00 0.00 O ATOM 559 CB VAL A 37 6.301 -4.595 2.971 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.101 -4.530 3.886 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.087 -5.674 1.930 1.00 0.00 C ATOM 0 H VAL A 37 8.049 -4.160 1.239 1.00 0.00 H new ATOM 0 HA VAL A 37 5.645 -2.940 1.732 1.00 0.00 H new ATOM 0 HB VAL A 37 7.191 -4.846 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.943 -5.504 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.274 -3.784 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.218 -4.255 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.926 -6.631 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.215 -5.428 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.966 -5.741 1.289 1.00 0.00 H new ATOM 571 N ARG A 38 8.008 -2.139 3.888 1.00 0.00 N ATOM 572 CA ARG A 38 8.350 -1.235 4.959 1.00 0.00 C ATOM 573 C ARG A 38 8.288 0.222 4.523 1.00 0.00 C ATOM 574 O ARG A 38 7.692 1.031 5.219 1.00 0.00 O ATOM 575 CB ARG A 38 9.708 -1.558 5.588 1.00 0.00 C ATOM 576 CG ARG A 38 9.864 -3.004 6.038 1.00 0.00 C ATOM 577 CD ARG A 38 8.671 -3.499 6.848 1.00 0.00 C ATOM 578 NE ARG A 38 8.807 -4.902 7.225 1.00 0.00 N ATOM 579 CZ ARG A 38 7.986 -5.569 8.048 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.948 -4.949 8.620 1.00 0.00 N ATOM 581 NH2 ARG A 38 8.193 -6.858 8.281 1.00 0.00 N ATOM 0 H ARG A 38 8.775 -2.729 3.567 1.00 0.00 H new ATOM 0 HA ARG A 38 7.592 -1.384 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.493 -1.328 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.862 -0.904 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.993 -3.641 5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.769 -3.098 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.566 -2.891 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.759 -3.367 6.266 1.00 0.00 H new ATOM 0 HE ARG A 38 9.593 -5.418 6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.777 -3.961 8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.328 -5.464 9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.975 -7.338 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.571 -7.370 8.907 1.00 0.00 H new ATOM 595 N GLU A 39 8.850 0.559 3.353 1.00 0.00 N ATOM 596 CA GLU A 39 8.841 1.958 2.916 1.00 0.00 C ATOM 597 C GLU A 39 7.410 2.416 2.637 1.00 0.00 C ATOM 598 O GLU A 39 7.024 3.539 2.994 1.00 0.00 O ATOM 599 CB GLU A 39 9.759 2.237 1.694 1.00 0.00 C ATOM 600 CG GLU A 39 9.279 1.681 0.359 1.00 0.00 C ATOM 601 CD GLU A 39 10.140 2.126 -0.797 1.00 0.00 C ATOM 602 OE1 GLU A 39 10.047 3.308 -1.193 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.908 1.311 -1.344 1.00 0.00 O ATOM 0 H GLU A 39 9.301 -0.094 2.713 1.00 0.00 H new ATOM 0 HA GLU A 39 9.257 2.540 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.880 3.316 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.746 1.824 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.272 0.592 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.251 1.999 0.185 1.00 0.00 H new ATOM 610 N PHE A 40 6.616 1.520 2.057 1.00 0.00 N ATOM 611 CA PHE A 40 5.237 1.811 1.742 1.00 0.00 C ATOM 612 C PHE A 40 4.382 1.916 2.994 1.00 0.00 C ATOM 613 O PHE A 40 3.549 2.802 3.102 1.00 0.00 O ATOM 614 CB PHE A 40 4.654 0.817 0.738 1.00 0.00 C ATOM 615 CG PHE A 40 5.197 0.954 -0.676 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.921 2.082 -1.433 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.952 -0.057 -1.251 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.393 2.197 -2.730 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.428 0.053 -2.542 1.00 0.00 C ATOM 620 CZ PHE A 40 6.148 1.178 -3.284 1.00 0.00 C ATOM 0 H PHE A 40 6.916 0.580 1.797 1.00 0.00 H new ATOM 0 HA PHE A 40 5.223 2.789 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.851 -0.195 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.571 0.941 0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.331 2.880 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.171 -0.946 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.172 3.082 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.020 -0.743 -2.970 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.516 1.265 -4.295 1.00 0.00 H new ATOM 630 N GLU A 41 4.632 1.057 3.957 1.00 0.00 N ATOM 631 CA GLU A 41 3.914 1.099 5.212 1.00 0.00 C ATOM 632 C GLU A 41 4.239 2.309 6.079 1.00 0.00 C ATOM 633 O GLU A 41 3.504 2.643 6.995 1.00 0.00 O ATOM 634 CB GLU A 41 3.988 -0.218 5.959 1.00 0.00 C ATOM 635 CG GLU A 41 2.955 -1.179 5.414 1.00 0.00 C ATOM 636 CD GLU A 41 1.617 -0.519 5.477 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.106 -0.383 6.595 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.071 -0.119 4.444 1.00 0.00 O ATOM 0 H GLU A 41 5.331 0.317 3.894 1.00 0.00 H new ATOM 0 HA GLU A 41 2.867 1.242 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.985 -0.647 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.818 -0.053 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.195 -1.451 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.951 -2.101 5.995 1.00 0.00 H new ATOM 645 N ARG A 42 5.329 2.973 5.786 1.00 0.00 N ATOM 646 CA ARG A 42 5.670 4.220 6.479 1.00 0.00 C ATOM 647 C ARG A 42 4.974 5.382 5.776 1.00 0.00 C ATOM 648 O ARG A 42 4.753 6.452 6.357 1.00 0.00 O ATOM 649 CB ARG A 42 7.174 4.412 6.484 1.00 0.00 C ATOM 650 CG ARG A 42 7.903 3.314 7.215 1.00 0.00 C ATOM 651 CD ARG A 42 9.385 3.368 6.944 1.00 0.00 C ATOM 652 NE ARG A 42 10.101 2.249 7.583 1.00 0.00 N ATOM 653 CZ ARG A 42 11.174 1.618 7.068 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.649 1.961 5.878 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.744 0.623 7.733 1.00 0.00 N ATOM 0 H ARG A 42 6.002 2.684 5.077 1.00 0.00 H new ATOM 0 HA ARG A 42 5.332 4.178 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.533 4.457 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.411 5.370 6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.723 3.405 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.510 2.345 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.559 3.343 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.787 4.313 7.310 1.00 0.00 H new ATOM 0 HE ARG A 42 9.756 1.927 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.201 2.707 5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.462 1.478 5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.370 0.334 8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.556 0.147 7.341 1.00 0.00 H new ATOM 669 N LEU A 43 4.647 5.150 4.528 1.00 0.00 N ATOM 670 CA LEU A 43 3.889 6.083 3.712 1.00 0.00 C ATOM 671 C LEU A 43 2.413 6.064 4.132 1.00 0.00 C ATOM 672 O LEU A 43 1.756 7.099 4.202 1.00 0.00 O ATOM 673 CB LEU A 43 4.029 5.708 2.214 1.00 0.00 C ATOM 674 CG LEU A 43 5.385 5.962 1.553 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.391 5.417 0.138 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.690 7.446 1.522 1.00 0.00 C ATOM 0 H LEU A 43 4.902 4.293 4.037 1.00 0.00 H new ATOM 0 HA LEU A 43 4.282 7.089 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.795 4.649 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.273 6.259 1.656 1.00 0.00 H new ATOM 0 HG LEU A 43 6.150 5.452 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.362 5.605 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.202 4.344 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.613 5.910 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.658 7.609 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.917 7.965 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.714 7.834 2.540 1.00 0.00 H new ATOM 688 N THR A 44 1.913 4.894 4.422 1.00 0.00 N ATOM 689 CA THR A 44 0.531 4.710 4.805 1.00 0.00 C ATOM 690 C THR A 44 0.320 4.938 6.274 1.00 0.00 C ATOM 691 O THR A 44 -0.693 5.534 6.679 1.00 0.00 O ATOM 692 CB THR A 44 0.123 3.286 4.469 1.00 0.00 C ATOM 693 OG1 THR A 44 1.090 2.414 5.021 1.00 0.00 O ATOM 694 CG2 THR A 44 0.100 3.125 2.996 1.00 0.00 C ATOM 0 H THR A 44 2.455 4.030 4.400 1.00 0.00 H new ATOM 0 HA THR A 44 -0.073 5.437 4.262 1.00 0.00 H new ATOM 0 HB THR A 44 -0.865 3.062 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.144 1.600 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.192 2.105 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.617 3.824 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.092 3.328 2.592 1.00 0.00 H new ATOM 702 N GLU A 45 1.289 4.450 7.068 1.00 0.00 N ATOM 703 CA GLU A 45 1.210 4.409 8.518 1.00 0.00 C ATOM 704 C GLU A 45 0.066 3.512 8.882 1.00 0.00 C ATOM 705 O GLU A 45 -0.564 3.644 9.939 1.00 0.00 O ATOM 706 CB GLU A 45 1.067 5.794 9.132 1.00 0.00 C ATOM 707 CG GLU A 45 2.245 6.663 8.844 1.00 0.00 C ATOM 708 CD GLU A 45 2.143 8.017 9.461 1.00 0.00 C ATOM 709 OE1 GLU A 45 2.178 8.132 10.699 1.00 0.00 O ATOM 710 OE2 GLU A 45 2.066 9.005 8.710 1.00 0.00 O ATOM 0 H GLU A 45 2.161 4.068 6.702 1.00 0.00 H new ATOM 0 HA GLU A 45 2.141 4.015 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.165 6.269 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.942 5.700 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.148 6.172 9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.354 6.770 7.765 1.00 0.00 H new ATOM 717 N HIS A 46 -0.166 2.553 8.009 1.00 0.00 N ATOM 718 CA HIS A 46 -1.217 1.652 8.182 1.00 0.00 C ATOM 719 C HIS A 46 -0.760 0.554 9.177 1.00 0.00 C ATOM 720 O HIS A 46 0.369 0.112 9.155 1.00 0.00 O ATOM 721 CB HIS A 46 -1.728 1.106 6.806 1.00 0.00 C ATOM 722 CG HIS A 46 -2.971 0.296 6.940 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.977 -0.988 7.385 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.262 0.678 6.888 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.234 -1.333 7.641 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.060 -0.362 7.341 1.00 0.00 N ATOM 0 H HIS A 46 0.388 2.401 7.166 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.086 2.147 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.914 1.943 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.949 0.497 6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.618 1.639 6.548 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.535 -2.289 8.044 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.077 -0.369 7.423 1.00 0.00 H new ATOM 734 N PRO A 47 -1.618 0.192 10.104 1.00 0.00 N ATOM 735 CA PRO A 47 -1.311 -0.757 11.173 1.00 0.00 C ATOM 736 C PRO A 47 -1.053 -2.148 10.733 1.00 0.00 C ATOM 737 O PRO A 47 -0.173 -2.830 11.249 1.00 0.00 O ATOM 738 CB PRO A 47 -2.569 -0.746 12.000 1.00 0.00 C ATOM 739 CG PRO A 47 -3.621 -0.133 11.176 1.00 0.00 C ATOM 740 CD PRO A 47 -2.945 0.738 10.230 1.00 0.00 C ATOM 0 HA PRO A 47 -0.392 -0.459 11.678 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.848 -1.759 12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.421 -0.180 12.920 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.201 -0.896 10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.319 0.432 11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.459 0.752 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.916 1.766 10.591 1.00 0.00 H new ATOM 748 N ASP A 48 -1.803 -2.573 9.794 1.00 0.00 N ATOM 749 CA ASP A 48 -1.760 -3.925 9.389 1.00 0.00 C ATOM 750 C ASP A 48 -1.431 -3.965 7.957 1.00 0.00 C ATOM 751 O ASP A 48 -1.721 -4.920 7.282 1.00 0.00 O ATOM 752 CB ASP A 48 -3.100 -4.622 9.614 1.00 0.00 C ATOM 753 CG ASP A 48 -3.515 -4.693 11.052 1.00 0.00 C ATOM 754 OD1 ASP A 48 -2.962 -5.514 11.808 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.418 -3.940 11.455 1.00 0.00 O ATOM 0 H ASP A 48 -2.467 -1.994 9.281 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.008 -4.446 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.871 -4.097 9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.044 -5.634 9.212 1.00 0.00 H new ATOM 760 N GLY A 49 -0.816 -2.902 7.501 1.00 0.00 N ATOM 761 CA GLY A 49 -0.481 -2.765 6.063 1.00 0.00 C ATOM 762 C GLY A 49 0.346 -3.882 5.544 1.00 0.00 C ATOM 763 O GLY A 49 0.069 -4.431 4.478 1.00 0.00 O ATOM 0 H GLY A 49 -0.530 -2.113 8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.404 -2.707 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.051 -1.826 5.909 1.00 0.00 H new ATOM 767 N SER A 50 1.335 -4.231 6.293 1.00 0.00 N ATOM 768 CA SER A 50 2.160 -5.366 5.967 1.00 0.00 C ATOM 769 C SER A 50 1.300 -6.655 5.891 1.00 0.00 C ATOM 770 O SER A 50 1.342 -7.394 4.899 1.00 0.00 O ATOM 771 CB SER A 50 3.300 -5.459 6.979 1.00 0.00 C ATOM 772 OG SER A 50 2.819 -5.224 8.301 1.00 0.00 O ATOM 0 H SER A 50 1.602 -3.745 7.149 1.00 0.00 H new ATOM 0 HA SER A 50 2.607 -5.244 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.762 -6.445 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.072 -4.731 6.733 1.00 0.00 H new ATOM 0 HG SER A 50 3.563 -5.289 8.936 1.00 0.00 H new ATOM 778 N ASP A 51 0.452 -6.845 6.894 1.00 0.00 N ATOM 779 CA ASP A 51 -0.472 -7.992 6.966 1.00 0.00 C ATOM 780 C ASP A 51 -1.443 -8.030 5.794 1.00 0.00 C ATOM 781 O ASP A 51 -1.836 -9.089 5.372 1.00 0.00 O ATOM 782 CB ASP A 51 -1.278 -7.994 8.270 1.00 0.00 C ATOM 783 CG ASP A 51 -0.585 -8.643 9.439 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.336 -8.033 10.027 1.00 0.00 O ATOM 785 OD2 ASP A 51 -1.002 -9.753 9.844 1.00 0.00 O ATOM 0 H ASP A 51 0.378 -6.210 7.689 1.00 0.00 H new ATOM 0 HA ASP A 51 0.161 -8.878 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.518 -6.964 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.224 -8.507 8.096 1.00 0.00 H new ATOM 790 N LEU A 52 -1.808 -6.866 5.268 1.00 0.00 N ATOM 791 CA LEU A 52 -2.750 -6.754 4.130 1.00 0.00 C ATOM 792 C LEU A 52 -2.224 -7.474 2.917 1.00 0.00 C ATOM 793 O LEU A 52 -2.970 -8.095 2.165 1.00 0.00 O ATOM 794 CB LEU A 52 -2.954 -5.286 3.727 1.00 0.00 C ATOM 795 CG LEU A 52 -3.473 -4.338 4.785 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.644 -2.954 4.184 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.776 -4.847 5.377 1.00 0.00 C ATOM 0 H LEU A 52 -1.467 -5.967 5.609 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.689 -7.197 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.000 -4.900 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.645 -5.261 2.885 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.750 -4.280 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.018 -2.270 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.683 -2.596 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.354 -3.001 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.129 -4.148 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.524 -4.935 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.612 -5.824 5.832 1.00 0.00 H new ATOM 809 N ILE A 53 -0.933 -7.403 2.762 1.00 0.00 N ATOM 810 CA ILE A 53 -0.258 -7.911 1.598 1.00 0.00 C ATOM 811 C ILE A 53 -0.096 -9.393 1.718 1.00 0.00 C ATOM 812 O ILE A 53 -0.359 -10.159 0.785 1.00 0.00 O ATOM 813 CB ILE A 53 1.131 -7.258 1.506 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.975 -5.745 1.369 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.963 -7.846 0.363 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.263 -4.992 1.477 1.00 0.00 C ATOM 0 H ILE A 53 -0.308 -6.984 3.451 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.841 -7.682 0.706 1.00 0.00 H new ATOM 0 HB ILE A 53 1.678 -7.473 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.515 -5.522 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.291 -5.389 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.937 -7.357 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.099 -8.915 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.447 -7.685 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.070 -3.925 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.716 -5.183 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.943 -5.319 0.690 1.00 0.00 H new ATOM 828 N TYR A 54 0.300 -9.786 2.876 1.00 0.00 N ATOM 829 CA TYR A 54 0.617 -11.135 3.145 1.00 0.00 C ATOM 830 C TYR A 54 -0.608 -11.984 3.459 1.00 0.00 C ATOM 831 O TYR A 54 -0.599 -13.189 3.216 1.00 0.00 O ATOM 832 CB TYR A 54 1.639 -11.198 4.265 1.00 0.00 C ATOM 833 CG TYR A 54 2.991 -10.608 3.895 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.826 -11.250 2.994 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.428 -9.421 4.450 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.060 -10.719 2.662 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.651 -8.881 4.124 1.00 0.00 C ATOM 838 CZ TYR A 54 5.468 -9.533 3.230 1.00 0.00 C ATOM 839 OH TYR A 54 6.711 -9.004 2.916 1.00 0.00 O ATOM 0 H TYR A 54 0.414 -9.163 3.676 1.00 0.00 H new ATOM 0 HA TYR A 54 1.044 -11.564 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.247 -10.668 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.776 -12.238 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.509 -12.179 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.795 -8.905 5.156 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.700 -11.233 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.968 -7.949 4.568 1.00 0.00 H new ATOM 0 HH TYR A 54 6.833 -9.010 1.944 1.00 0.00 H new ATOM 849 N TYR A 55 -1.650 -11.381 3.983 1.00 0.00 N ATOM 850 CA TYR A 55 -2.829 -12.125 4.363 1.00 0.00 C ATOM 851 C TYR A 55 -4.107 -11.428 3.936 1.00 0.00 C ATOM 852 O TYR A 55 -4.370 -10.287 4.345 1.00 0.00 O ATOM 853 CB TYR A 55 -2.863 -12.363 5.887 1.00 0.00 C ATOM 854 CG TYR A 55 -1.695 -13.161 6.386 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.641 -14.522 6.172 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.627 -12.549 7.030 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.568 -15.258 6.586 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.461 -13.284 7.442 1.00 0.00 C ATOM 859 CZ TYR A 55 0.483 -14.639 7.217 1.00 0.00 C ATOM 860 OH TYR A 55 1.568 -15.385 7.609 1.00 0.00 O ATOM 0 H TYR A 55 -1.706 -10.377 4.156 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.772 -13.083 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.882 -11.401 6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.786 -12.881 6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.460 -15.014 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.651 -11.484 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.546 -16.325 6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.290 -12.800 7.938 1.00 0.00 H new ATOM 0 HH TYR A 55 2.227 -14.802 8.040 1.00 0.00 H new ATOM 870 N PRO A 56 -4.906 -12.075 3.078 1.00 0.00 N ATOM 871 CA PRO A 56 -6.235 -11.596 2.765 1.00 0.00 C ATOM 872 C PRO A 56 -7.092 -11.778 4.004 1.00 0.00 C ATOM 873 O PRO A 56 -6.949 -12.788 4.715 1.00 0.00 O ATOM 874 CB PRO A 56 -6.713 -12.530 1.650 1.00 0.00 C ATOM 875 CG PRO A 56 -5.898 -13.762 1.805 1.00 0.00 C ATOM 876 CD PRO A 56 -4.575 -13.317 2.352 1.00 0.00 C ATOM 0 HA PRO A 56 -6.276 -10.549 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.777 -12.746 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.566 -12.080 0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.382 -14.467 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.774 -14.270 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.141 -14.066 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.851 -13.137 1.557 1.00 0.00 H new ATOM 884 N ARG A 57 -7.938 -10.827 4.312 1.00 0.00 N ATOM 885 CA ARG A 57 -8.705 -10.964 5.526 1.00 0.00 C ATOM 886 C ARG A 57 -9.965 -11.817 5.321 1.00 0.00 C ATOM 887 O ARG A 57 -9.885 -12.984 4.934 1.00 0.00 O ATOM 888 CB ARG A 57 -9.048 -9.573 6.087 1.00 0.00 C ATOM 889 CG ARG A 57 -7.842 -8.818 6.616 1.00 0.00 C ATOM 890 CD ARG A 57 -8.213 -7.430 7.106 1.00 0.00 C ATOM 891 NE ARG A 57 -7.135 -6.838 7.906 1.00 0.00 N ATOM 892 CZ ARG A 57 -7.219 -5.668 8.558 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.153 -4.770 8.221 1.00 0.00 N ATOM 894 NH2 ARG A 57 -6.325 -5.378 9.495 1.00 0.00 N ATOM 0 H ARG A 57 -8.110 -9.983 3.766 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.093 -11.494 6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.522 -8.981 5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.778 -9.684 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.390 -9.382 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.091 -8.737 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.430 -6.787 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.123 -7.485 7.703 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.257 -7.354 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.806 -4.973 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.211 -3.883 8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.582 -6.042 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.381 -4.491 9.996 1.00 0.00 H new ATOM 908 N ASP A 58 -11.109 -11.244 5.541 1.00 0.00 N ATOM 909 CA ASP A 58 -12.353 -11.955 5.324 1.00 0.00 C ATOM 910 C ASP A 58 -13.202 -11.199 4.340 1.00 0.00 C ATOM 911 O ASP A 58 -13.435 -11.626 3.208 1.00 0.00 O ATOM 912 CB ASP A 58 -13.098 -12.152 6.644 1.00 0.00 C ATOM 913 CG ASP A 58 -14.358 -12.969 6.493 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.422 -12.396 6.217 1.00 0.00 O ATOM 915 OD2 ASP A 58 -14.302 -14.198 6.665 1.00 0.00 O ATOM 0 H ASP A 58 -11.217 -10.285 5.871 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.132 -12.941 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.437 -12.642 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.351 -11.177 7.061 1.00 0.00 H new ATOM 920 N ASP A 59 -13.592 -10.039 4.785 1.00 0.00 N ATOM 921 CA ASP A 59 -14.464 -9.108 4.091 1.00 0.00 C ATOM 922 C ASP A 59 -13.732 -8.389 2.991 1.00 0.00 C ATOM 923 O ASP A 59 -14.324 -8.002 1.991 1.00 0.00 O ATOM 924 CB ASP A 59 -14.961 -8.070 5.105 1.00 0.00 C ATOM 925 CG ASP A 59 -13.803 -7.371 5.814 1.00 0.00 C ATOM 926 OD1 ASP A 59 -13.089 -8.051 6.606 1.00 0.00 O ATOM 927 OD2 ASP A 59 -13.575 -6.170 5.594 1.00 0.00 O ATOM 0 H ASP A 59 -13.297 -9.688 5.696 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.291 -9.664 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.576 -7.328 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.598 -8.558 5.843 1.00 0.00 H new ATOM 932 N ARG A 60 -12.448 -8.221 3.169 1.00 0.00 N ATOM 933 CA ARG A 60 -11.667 -7.492 2.267 1.00 0.00 C ATOM 934 C ARG A 60 -11.338 -8.321 1.048 1.00 0.00 C ATOM 935 O ARG A 60 -11.037 -9.517 1.148 1.00 0.00 O ATOM 936 CB ARG A 60 -10.422 -7.014 2.969 1.00 0.00 C ATOM 937 CG ARG A 60 -9.516 -6.176 2.129 1.00 0.00 C ATOM 938 CD ARG A 60 -10.195 -4.875 1.693 1.00 0.00 C ATOM 939 NE ARG A 60 -10.607 -4.034 2.830 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.545 -3.062 2.785 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.237 -2.845 1.671 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.767 -2.300 3.858 1.00 0.00 N ATOM 0 H ARG A 60 -11.930 -8.600 3.962 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.226 -6.624 1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.715 -6.440 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.866 -7.881 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.610 -5.944 2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.210 -6.740 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.512 -4.310 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.070 -5.113 1.088 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.146 -4.199 3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.062 -3.414 0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.943 -2.110 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.229 -2.451 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.475 -1.566 3.825 1.00 0.00 H new ATOM 956 N GLU A 61 -11.435 -7.677 -0.070 1.00 0.00 N ATOM 957 CA GLU A 61 -11.162 -8.239 -1.375 1.00 0.00 C ATOM 958 C GLU A 61 -9.699 -8.644 -1.461 1.00 0.00 C ATOM 959 O GLU A 61 -8.809 -7.854 -1.126 1.00 0.00 O ATOM 960 CB GLU A 61 -11.443 -7.167 -2.411 1.00 0.00 C ATOM 961 CG GLU A 61 -11.347 -7.602 -3.859 1.00 0.00 C ATOM 962 CD GLU A 61 -12.504 -8.457 -4.274 1.00 0.00 C ATOM 963 OE1 GLU A 61 -13.630 -7.950 -4.313 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.311 -9.628 -4.608 1.00 0.00 O ATOM 0 H GLU A 61 -11.719 -6.698 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.785 -9.117 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.445 -6.774 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.746 -6.344 -2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.302 -6.720 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.419 -8.153 -4.010 1.00 0.00 H new ATOM 971 N ASP A 62 -9.451 -9.846 -1.909 1.00 0.00 N ATOM 972 CA ASP A 62 -8.096 -10.332 -2.043 1.00 0.00 C ATOM 973 C ASP A 62 -7.555 -9.989 -3.403 1.00 0.00 C ATOM 974 O ASP A 62 -7.521 -10.810 -4.331 1.00 0.00 O ATOM 975 CB ASP A 62 -7.980 -11.836 -1.747 1.00 0.00 C ATOM 976 CG ASP A 62 -6.574 -12.408 -1.989 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.581 -11.906 -1.418 1.00 0.00 O ATOM 978 OD2 ASP A 62 -6.449 -13.403 -2.745 1.00 0.00 O ATOM 0 H ASP A 62 -10.171 -10.512 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.487 -9.830 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.262 -12.016 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.694 -12.376 -2.369 1.00 0.00 H new ATOM 983 N SER A 63 -7.241 -8.758 -3.565 1.00 0.00 N ATOM 984 CA SER A 63 -6.666 -8.307 -4.770 1.00 0.00 C ATOM 985 C SER A 63 -5.739 -7.182 -4.432 1.00 0.00 C ATOM 986 O SER A 63 -5.878 -6.589 -3.350 1.00 0.00 O ATOM 987 CB SER A 63 -7.770 -7.827 -5.735 1.00 0.00 C ATOM 988 OG SER A 63 -8.511 -6.738 -5.185 1.00 0.00 O ATOM 0 H SER A 63 -7.377 -8.033 -2.860 1.00 0.00 H new ATOM 0 HA SER A 63 -6.120 -9.111 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.321 -7.522 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.446 -8.653 -5.956 1.00 0.00 H new ATOM 0 HG SER A 63 -9.211 -6.467 -5.815 1.00 0.00 H new ATOM 994 N PRO A 64 -4.762 -6.879 -5.303 1.00 0.00 N ATOM 995 CA PRO A 64 -3.915 -5.703 -5.148 1.00 0.00 C ATOM 996 C PRO A 64 -4.798 -4.447 -4.928 1.00 0.00 C ATOM 997 O PRO A 64 -4.478 -3.581 -4.124 1.00 0.00 O ATOM 998 CB PRO A 64 -3.160 -5.655 -6.500 1.00 0.00 C ATOM 999 CG PRO A 64 -3.076 -7.077 -6.912 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.363 -7.701 -6.469 1.00 0.00 C ATOM 0 HA PRO A 64 -3.239 -5.738 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.697 -5.057 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.170 -5.212 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.948 -7.166 -7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.221 -7.570 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.115 -7.672 -7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.228 -8.747 -6.195 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.951 -4.430 -5.593 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.923 -3.357 -5.464 1.00 0.00 C ATOM 1010 C GLU A 65 -7.546 -3.332 -4.066 1.00 0.00 C ATOM 1011 O GLU A 65 -7.634 -2.278 -3.441 1.00 0.00 O ATOM 1012 CB GLU A 65 -8.017 -3.517 -6.508 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.522 -3.454 -7.936 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.603 -3.739 -8.930 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.603 -2.989 -8.972 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.489 -4.733 -9.667 1.00 0.00 O ATOM 0 H GLU A 65 -6.235 -5.166 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.401 -2.413 -5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.518 -4.472 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.764 -2.737 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.106 -2.465 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.712 -4.172 -8.069 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.966 -4.496 -3.586 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.587 -4.603 -2.279 1.00 0.00 C ATOM 1025 C GLY A 66 -7.632 -4.293 -1.155 1.00 0.00 C ATOM 1026 O GLY A 66 -8.020 -3.693 -0.153 1.00 0.00 O ATOM 0 H GLY A 66 -7.886 -5.381 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.436 -3.921 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.980 -5.611 -2.149 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.389 -4.687 -1.323 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.342 -4.389 -0.355 1.00 0.00 C ATOM 1032 C ILE A 67 -5.178 -2.874 -0.226 1.00 0.00 C ATOM 1033 O ILE A 67 -5.111 -2.329 0.887 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.006 -5.069 -0.763 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.166 -6.597 -0.668 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.835 -4.576 0.095 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.975 -7.387 -1.153 1.00 0.00 C ATOM 0 H ILE A 67 -6.070 -5.222 -2.131 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.628 -4.791 0.617 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.773 -4.797 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.364 -6.864 0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.041 -6.894 -1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.918 -5.074 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.723 -3.499 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.030 -4.804 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.178 -8.453 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.787 -7.155 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.099 -7.125 -0.560 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.174 -2.201 -1.363 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.126 -0.754 -1.393 1.00 0.00 C ATOM 1051 C VAL A 68 -6.377 -0.187 -0.781 1.00 0.00 C ATOM 1052 O VAL A 68 -6.322 0.803 -0.059 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.969 -0.205 -2.832 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.062 1.331 -2.871 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.650 -0.631 -3.368 1.00 0.00 C ATOM 0 H VAL A 68 -5.204 -2.640 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.252 -0.448 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.781 -0.604 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.947 1.677 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.033 1.647 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.272 1.759 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.529 -0.250 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.855 -0.237 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.597 -1.720 -3.381 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.498 -0.850 -1.018 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.743 -0.347 -0.551 1.00 0.00 C ATOM 1067 C LYS A 69 -8.834 -0.358 0.968 1.00 0.00 C ATOM 1068 O LYS A 69 -9.480 0.497 1.548 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.955 -1.026 -1.175 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.164 -0.139 -0.990 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.392 -0.598 -1.695 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.451 0.487 -1.545 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.708 0.165 -2.249 1.00 0.00 N ATOM 0 H LYS A 69 -7.553 -1.731 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.769 0.690 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.780 -1.208 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.125 -1.996 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.381 -0.063 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.917 0.864 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.181 -0.782 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.746 -1.538 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.662 0.638 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.057 1.428 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.390 0.938 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.517 0.048 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.103 -0.718 -1.867 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.167 -1.303 1.608 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.158 -1.350 3.061 1.00 0.00 C ATOM 1089 C GLU A 70 -7.451 -0.092 3.583 1.00 0.00 C ATOM 1090 O GLU A 70 -7.964 0.606 4.456 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.457 -2.610 3.565 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.637 -2.863 5.059 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.067 -3.166 5.425 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.480 -4.338 5.356 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.823 -2.246 5.770 1.00 0.00 O ATOM 0 H GLU A 70 -7.630 -2.040 1.152 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.183 -1.381 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.836 -3.470 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.392 -2.534 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.003 -3.697 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.300 -1.988 5.615 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.296 0.207 2.985 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.532 1.411 3.291 1.00 0.00 C ATOM 1104 C ILE A 71 -6.338 2.666 2.954 1.00 0.00 C ATOM 1105 O ILE A 71 -6.381 3.624 3.734 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.189 1.396 2.521 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.261 0.410 3.199 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.541 2.783 2.462 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.067 0.057 2.400 1.00 0.00 C ATOM 0 H ILE A 71 -5.866 -0.383 2.273 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.321 1.428 4.360 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.380 1.096 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.937 0.829 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.817 -0.500 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.602 2.723 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.213 3.477 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.347 3.137 3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.454 -0.653 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.380 -0.393 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.486 0.957 2.197 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.965 2.639 1.793 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.822 3.705 1.309 1.00 0.00 C ATOM 1123 C LYS A 72 -8.936 4.001 2.282 1.00 0.00 C ATOM 1124 O LYS A 72 -8.997 5.095 2.809 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.401 3.308 -0.052 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.640 4.081 -0.502 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.368 5.516 -0.830 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.809 5.634 -2.231 1.00 0.00 C ATOM 1129 NZ LYS A 72 -8.659 7.036 -2.665 1.00 0.00 N ATOM 0 H LYS A 72 -6.891 1.856 1.144 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.225 4.611 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.624 3.434 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.649 2.247 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.064 3.591 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.393 4.034 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.287 6.096 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.662 5.933 -0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.839 5.138 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.466 5.111 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.305 7.061 -3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.581 7.514 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.985 7.523 -2.040 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.751 3.002 2.579 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.913 3.187 3.424 1.00 0.00 C ATOM 1145 C GLU A 73 -10.535 3.580 4.816 1.00 0.00 C ATOM 1146 O GLU A 73 -11.261 4.317 5.465 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.801 1.951 3.442 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.444 1.649 2.112 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.222 2.821 1.591 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.139 3.294 2.283 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.929 3.298 0.480 1.00 0.00 O ATOM 0 H GLU A 73 -9.625 2.047 2.242 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.484 4.007 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.207 1.092 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.581 2.086 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.675 1.374 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.107 0.790 2.215 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.391 3.123 5.247 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.906 3.413 6.560 1.00 0.00 C ATOM 1160 C TRP A 74 -8.503 4.876 6.627 1.00 0.00 C ATOM 1161 O TRP A 74 -9.124 5.668 7.338 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.711 2.515 6.848 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.267 2.472 8.266 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.911 1.858 9.294 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.060 3.012 8.809 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.181 1.979 10.440 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.045 2.682 10.173 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.988 3.743 8.273 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.009 3.048 11.011 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.952 4.112 9.108 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.971 3.756 10.463 1.00 0.00 C ATOM 0 H TRP A 74 -8.769 2.536 4.691 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.679 3.228 7.305 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.957 1.501 6.532 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.874 2.846 6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.860 1.349 9.215 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.444 1.603 11.351 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.974 4.012 7.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.017 2.786 12.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.121 4.679 8.714 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.144 4.048 11.094 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.548 5.262 5.789 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.003 6.604 5.834 1.00 0.00 C ATOM 1184 C ARG A 75 -8.051 7.640 5.460 1.00 0.00 C ATOM 1185 O ARG A 75 -8.092 8.732 6.042 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.775 6.733 4.947 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.667 5.759 5.310 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.411 6.023 4.521 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.685 6.194 3.094 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.138 7.151 2.333 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.278 8.006 2.851 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.468 7.263 1.068 1.00 0.00 N ATOM 0 H ARG A 75 -7.139 4.662 5.073 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.695 6.795 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.066 6.571 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.391 7.751 5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.450 5.836 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.005 4.739 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.923 6.918 4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.715 5.196 4.660 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.334 5.543 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.025 7.941 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.865 8.732 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.145 6.619 0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.048 7.994 0.494 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.931 7.271 4.539 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.002 8.141 4.086 1.00 0.00 C ATOM 1208 C ALA A 76 -11.041 8.365 5.196 1.00 0.00 C ATOM 1209 O ALA A 76 -11.628 9.451 5.295 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.676 7.572 2.816 1.00 0.00 C ATOM 0 H ALA A 76 -8.920 6.357 4.085 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.562 9.106 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.475 8.242 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.937 7.484 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.093 6.589 3.035 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.223 7.365 6.065 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.230 7.439 7.112 1.00 0.00 C ATOM 1218 C ALA A 77 -11.672 8.176 8.279 1.00 0.00 C ATOM 1219 O ALA A 77 -12.378 8.896 8.981 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.698 6.061 7.541 1.00 0.00 C ATOM 0 H ALA A 77 -10.684 6.499 6.059 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.096 7.969 6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.450 6.160 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.131 5.541 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.850 5.491 7.921 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.394 7.971 8.493 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.684 8.598 9.560 1.00 0.00 C ATOM 1228 C ASN A 78 -9.534 10.078 9.297 1.00 0.00 C ATOM 1229 O ASN A 78 -9.620 10.893 10.207 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.288 8.007 9.703 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.198 6.523 10.009 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.210 5.897 9.645 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.177 5.955 10.658 1.00 0.00 N ATOM 0 H ASN A 78 -9.819 7.355 7.919 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.256 8.430 10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.743 8.196 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.770 8.549 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.134 4.960 10.877 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.985 6.506 10.946 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.319 10.416 8.051 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.066 11.781 7.700 1.00 0.00 C ATOM 1242 C GLY A 79 -7.580 12.018 7.643 1.00 0.00 C ATOM 1243 O GLY A 79 -7.077 13.045 8.097 1.00 0.00 O ATOM 0 H GLY A 79 -9.315 9.763 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.519 12.009 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.523 12.447 8.432 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.875 11.028 7.140 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.457 11.084 6.964 1.00 0.00 C ATOM 1249 C LYS A 80 -5.143 11.580 5.562 1.00 0.00 C ATOM 1250 O LYS A 80 -5.986 12.210 4.914 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.866 9.693 7.166 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.787 9.240 8.611 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.159 7.866 8.702 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.908 7.426 10.143 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.142 7.220 10.919 1.00 0.00 N ATOM 0 H LYS A 80 -7.290 10.146 6.838 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.022 11.768 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.465 8.974 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.864 9.674 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.201 9.953 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.786 9.219 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.810 7.141 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.215 7.866 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.334 6.500 10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.296 8.177 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.904 6.826 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.631 8.130 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.764 6.558 10.413 1.00 0.00 H new ATOM 1269 N SER A 81 -3.948 11.347 5.119 1.00 0.00 N ATOM 1270 CA SER A 81 -3.540 11.682 3.787 1.00 0.00 C ATOM 1271 C SER A 81 -4.243 10.753 2.776 1.00 0.00 C ATOM 1272 O SER A 81 -4.782 9.690 3.144 1.00 0.00 O ATOM 1273 CB SER A 81 -2.015 11.533 3.692 1.00 0.00 C ATOM 1274 OG SER A 81 -1.506 11.968 2.440 1.00 0.00 O ATOM 0 H SER A 81 -3.215 10.912 5.680 1.00 0.00 H new ATOM 0 HA SER A 81 -3.818 12.710 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.546 12.107 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.744 10.489 3.848 1.00 0.00 H new ATOM 0 HG SER A 81 -1.341 11.191 1.866 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.238 11.156 1.540 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.812 10.376 0.488 1.00 0.00 C ATOM 1282 C GLY A 82 -3.747 9.989 -0.508 1.00 0.00 C ATOM 1283 O GLY A 82 -2.603 9.700 -0.118 1.00 0.00 O ATOM 0 H GLY A 82 -3.833 12.040 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.278 9.481 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.598 10.944 -0.010 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.114 9.908 -1.752 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.207 9.664 -2.816 1.00 0.00 C ATOM 1289 C PHE A 83 -3.301 10.851 -3.747 1.00 0.00 C ATOM 1290 O PHE A 83 -4.233 11.655 -3.619 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.607 8.411 -3.579 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.766 7.162 -2.730 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.653 6.509 -2.260 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.027 6.648 -2.401 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.770 5.376 -1.486 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.142 5.498 -1.616 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.007 4.869 -1.165 1.00 0.00 C ATOM 0 H PHE A 83 -5.082 10.014 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.197 9.524 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.548 8.603 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.857 8.217 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.671 6.890 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.917 7.145 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.880 4.880 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.117 5.106 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.086 3.978 -0.560 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.376 10.977 -4.651 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.400 12.051 -5.599 1.00 0.00 C ATOM 1309 C LYS A 84 -3.426 11.752 -6.661 1.00 0.00 C ATOM 1310 O LYS A 84 -3.607 10.595 -7.067 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.027 12.239 -6.230 1.00 0.00 C ATOM 1312 CG LYS A 84 -0.905 13.448 -7.144 1.00 0.00 C ATOM 1313 CD LYS A 84 0.535 13.678 -7.600 1.00 0.00 C ATOM 1314 CE LYS A 84 1.051 12.557 -8.486 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.458 12.760 -8.875 1.00 0.00 N ATOM 0 H LYS A 84 -1.586 10.340 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.666 12.975 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.286 12.326 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.779 11.344 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.544 13.309 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.266 14.334 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.595 14.622 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.179 13.771 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.954 11.607 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.434 12.490 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.630 12.317 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.657 13.779 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.081 12.328 -8.163 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.090 12.770 -7.093 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.088 12.679 -8.065 1.00 0.00 C ATOM 1331 C GLN A 85 -4.485 12.547 -9.448 1.00 0.00 C ATOM 1332 O GLN A 85 -3.973 13.519 -10.015 1.00 0.00 O ATOM 1333 CB GLN A 85 -5.999 13.889 -7.965 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.129 13.752 -6.951 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.706 13.656 -5.490 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.354 12.967 -4.703 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.704 14.390 -5.093 1.00 0.00 N ATOM 0 H GLN A 85 -3.934 13.720 -6.755 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.682 11.782 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.397 14.759 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.431 14.084 -8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.795 14.608 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.709 12.863 -7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.184 14.951 -5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.440 14.403 -4.108 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.494 11.350 -9.950 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.987 11.087 -11.261 1.00 0.00 C ATOM 1348 C GLY A 86 -4.700 9.919 -11.851 1.00 0.00 C ATOM 1349 O GLY A 86 -5.752 10.121 -12.469 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.266 8.788 -11.647 1.00 0.00 O ATOM 0 H GLY A 86 -4.853 10.529 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.119 11.964 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.917 10.886 -11.214 1.00 0.00 H new TER 1354 GLY A 86