USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 930 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 -16 HIS : no HD1:sc= -0.0642 X(o=-0.031,f=0.02) USER MOD Set 1.2: A -18 SER OG : rot 180:sc= 0.0328 USER MOD Set 2.1: A 40 TYR OH : rot 70:sc= -0.678 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.94 USER MOD Set 2.3: A 92 ASN : amide:sc= 1.39 K(o=1.7,f=-1.7!) USER MOD Set 3.1: A 11 GLN : amide:sc= -2.73! C(o=-2.3!,f=-9!) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -123:sc= 0.45 (180deg=0) USER MOD Single : A 0 MET CE :methyl 166:sc= -1.22 (180deg=-1.71) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= -0.13 (180deg=-0.615) USER MOD Single : A 5 THR OG1 : rot -94:sc= 1.16 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -9 SER OG : rot -120:sc= 1.06 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.08) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 24 MET CE :methyl -158:sc= -0.222 (180deg=-0.794) USER MOD Single : A 25 CYS SG : rot 117:sc= -1.3! USER MOD Single : A 33 ASN : amide:sc= 2.28 K(o=2.3,f=-0.062) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -134:sc= -0.608 (180deg=-0.945) USER MOD Single : A 48 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 43:sc= 0.123 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -37:sc= 0.181 USER MOD Single : A 73 GLN : amide:sc= 0.226 X(o=0.23,f=-0.25) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-0.13) USER MOD Single : A 97 THR OG1 : rot 60:sc= 1.1 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -11 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -17 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl -162:sc= -0.0834 (180deg=-0.746) USER MOD Single : A -20 MET N :NH3+ -129:sc= 0.0135 (180deg=-0.0811) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0385 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 92.308 18.774 17.403 1.00 0.00 N ATOM 2 CA MET A -20 90.957 19.346 17.600 1.00 0.00 C ATOM 3 C MET A -20 90.745 19.692 19.066 1.00 0.00 C ATOM 4 O MET A -20 91.296 19.037 19.953 1.00 0.00 O ATOM 5 CB MET A -20 89.875 18.358 17.149 1.00 0.00 C ATOM 6 CG MET A -20 89.956 17.982 15.680 1.00 0.00 C ATOM 7 SD MET A -20 88.591 16.921 15.157 1.00 0.00 S ATOM 8 CE MET A -20 88.860 15.487 16.198 1.00 0.00 C ATOM 0 H1 MET A -20 92.788 19.276 16.629 1.00 0.00 H new ATOM 0 H2 MET A -20 92.860 18.878 18.278 1.00 0.00 H new ATOM 0 H3 MET A -20 92.226 17.765 17.163 1.00 0.00 H new ATOM 0 HA MET A -20 90.881 20.250 16.996 1.00 0.00 H new ATOM 0 HB2 MET A -20 89.951 17.452 17.750 1.00 0.00 H new ATOM 0 HB3 MET A -20 88.895 18.792 17.349 1.00 0.00 H new ATOM 0 HG2 MET A -20 89.958 18.890 15.076 1.00 0.00 H new ATOM 0 HG3 MET A -20 90.901 17.472 15.491 1.00 0.00 H new ATOM 0 HE1 MET A -20 88.320 14.634 15.788 1.00 0.00 H new ATOM 0 HE2 MET A -20 89.925 15.259 16.235 1.00 0.00 H new ATOM 0 HE3 MET A -20 88.499 15.696 17.205 1.00 0.00 H new ATOM 20 N GLY A -19 89.955 20.726 19.313 1.00 0.00 N ATOM 21 CA GLY A -19 89.658 21.134 20.671 1.00 0.00 C ATOM 22 C GLY A -19 88.492 22.094 20.718 1.00 0.00 C ATOM 23 O GLY A -19 87.355 21.713 20.434 1.00 0.00 O ATOM 0 H GLY A -19 89.511 21.294 18.591 1.00 0.00 H new ATOM 0 HA2 GLY A -19 89.432 20.255 21.275 1.00 0.00 H new ATOM 0 HA3 GLY A -19 90.537 21.605 21.111 1.00 0.00 H new ATOM 27 N SER A -18 88.770 23.340 21.060 1.00 0.00 N ATOM 28 CA SER A -18 87.747 24.372 21.066 1.00 0.00 C ATOM 29 C SER A -18 87.322 24.708 19.637 1.00 0.00 C ATOM 30 O SER A -18 88.149 24.731 18.723 1.00 0.00 O ATOM 31 CB SER A -18 88.272 25.616 21.790 1.00 0.00 C ATOM 32 OG SER A -18 89.612 25.900 21.412 1.00 0.00 O ATOM 0 H SER A -18 89.697 23.662 21.338 1.00 0.00 H new ATOM 0 HA SER A -18 86.870 24.005 21.599 1.00 0.00 H new ATOM 0 HB2 SER A -18 87.637 26.471 21.558 1.00 0.00 H new ATOM 0 HB3 SER A -18 88.220 25.463 22.868 1.00 0.00 H new ATOM 0 HG SER A -18 89.923 26.699 21.886 1.00 0.00 H new ATOM 38 N SER A -17 86.033 24.945 19.446 1.00 0.00 N ATOM 39 CA SER A -17 85.502 25.228 18.125 1.00 0.00 C ATOM 40 C SER A -17 85.937 26.619 17.670 1.00 0.00 C ATOM 41 O SER A -17 85.667 27.618 18.338 1.00 0.00 O ATOM 42 CB SER A -17 83.975 25.116 18.135 1.00 0.00 C ATOM 43 OG SER A -17 83.444 25.133 16.820 1.00 0.00 O ATOM 0 H SER A -17 85.336 24.947 20.191 1.00 0.00 H new ATOM 0 HA SER A -17 85.897 24.496 17.421 1.00 0.00 H new ATOM 0 HB2 SER A -17 83.680 24.194 18.636 1.00 0.00 H new ATOM 0 HB3 SER A -17 83.552 25.940 18.710 1.00 0.00 H new ATOM 0 HG SER A -17 82.468 25.058 16.860 1.00 0.00 H new ATOM 49 N HIS A -16 86.625 26.671 16.541 1.00 0.00 N ATOM 50 CA HIS A -16 87.128 27.923 15.999 1.00 0.00 C ATOM 51 C HIS A -16 86.628 28.126 14.579 1.00 0.00 C ATOM 52 O HIS A -16 86.363 27.157 13.867 1.00 0.00 O ATOM 53 CB HIS A -16 88.659 27.939 16.006 1.00 0.00 C ATOM 54 CG HIS A -16 89.269 28.394 17.295 1.00 0.00 C ATOM 55 ND1 HIS A -16 90.057 29.518 17.387 1.00 0.00 N ATOM 56 CD2 HIS A -16 89.229 27.864 18.542 1.00 0.00 C ATOM 57 CE1 HIS A -16 90.480 29.658 18.629 1.00 0.00 C ATOM 58 NE2 HIS A -16 89.992 28.670 19.352 1.00 0.00 N ATOM 0 H HIS A -16 86.850 25.851 15.977 1.00 0.00 H new ATOM 0 HA HIS A -16 86.761 28.733 16.629 1.00 0.00 H new ATOM 0 HB2 HIS A -16 89.021 26.936 15.781 1.00 0.00 H new ATOM 0 HB3 HIS A -16 89.007 28.590 15.204 1.00 0.00 H new ATOM 0 HD2 HIS A -16 88.697 26.974 18.843 1.00 0.00 H new ATOM 0 HE1 HIS A -16 91.119 30.449 18.992 1.00 0.00 H new ATOM 0 HE2 HIS A -16 90.154 28.527 20.349 1.00 0.00 H new ATOM 67 N HIS A -15 86.502 29.387 14.176 1.00 0.00 N ATOM 68 CA HIS A -15 86.091 29.725 12.815 1.00 0.00 C ATOM 69 C HIS A -15 87.082 29.174 11.802 1.00 0.00 C ATOM 70 O HIS A -15 86.700 28.715 10.729 1.00 0.00 O ATOM 71 CB HIS A -15 85.976 31.241 12.631 1.00 0.00 C ATOM 72 CG HIS A -15 84.886 31.872 13.435 1.00 0.00 C ATOM 73 ND1 HIS A -15 85.080 32.991 14.210 1.00 0.00 N ATOM 74 CD2 HIS A -15 83.579 31.552 13.562 1.00 0.00 C ATOM 75 CE1 HIS A -15 83.944 33.329 14.784 1.00 0.00 C ATOM 76 NE2 HIS A -15 83.015 32.473 14.407 1.00 0.00 N ATOM 0 H HIS A -15 86.679 30.194 14.774 1.00 0.00 H new ATOM 0 HA HIS A -15 85.113 29.273 12.650 1.00 0.00 H new ATOM 0 HB2 HIS A -15 86.926 31.702 12.901 1.00 0.00 H new ATOM 0 HB3 HIS A -15 85.806 31.456 11.576 1.00 0.00 H new ATOM 0 HD2 HIS A -15 83.073 30.725 13.086 1.00 0.00 H new ATOM 0 HE1 HIS A -15 83.798 34.166 15.451 1.00 0.00 H new ATOM 0 HE2 HIS A -15 82.037 32.493 14.696 1.00 0.00 H new ATOM 85 N HIS A -14 88.360 29.233 12.146 1.00 0.00 N ATOM 86 CA HIS A -14 89.407 28.731 11.271 1.00 0.00 C ATOM 87 C HIS A -14 90.406 27.902 12.053 1.00 0.00 C ATOM 88 O HIS A -14 90.715 28.207 13.205 1.00 0.00 O ATOM 89 CB HIS A -14 90.154 29.878 10.581 1.00 0.00 C ATOM 90 CG HIS A -14 89.360 30.584 9.529 1.00 0.00 C ATOM 91 ND1 HIS A -14 89.279 30.144 8.229 1.00 0.00 N ATOM 92 CD2 HIS A -14 88.619 31.714 9.588 1.00 0.00 C ATOM 93 CE1 HIS A -14 88.523 30.969 7.532 1.00 0.00 C ATOM 94 NE2 HIS A -14 88.108 31.933 8.334 1.00 0.00 N ATOM 0 H HIS A -14 88.696 29.624 13.026 1.00 0.00 H new ATOM 0 HA HIS A -14 88.924 28.112 10.515 1.00 0.00 H new ATOM 0 HB2 HIS A -14 90.461 30.602 11.336 1.00 0.00 H new ATOM 0 HB3 HIS A -14 91.064 29.484 10.129 1.00 0.00 H new ATOM 0 HD2 HIS A -14 88.459 32.330 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A -14 88.284 30.873 6.483 1.00 0.00 H new ATOM 0 HE2 HIS A -14 87.507 32.712 8.065 1.00 0.00 H new ATOM 103 N HIS A -13 90.898 26.847 11.430 1.00 0.00 N ATOM 104 CA HIS A -13 92.038 26.130 11.962 1.00 0.00 C ATOM 105 C HIS A -13 93.287 26.843 11.479 1.00 0.00 C ATOM 106 O HIS A -13 93.392 27.160 10.296 1.00 0.00 O ATOM 107 CB HIS A -13 92.026 24.660 11.525 1.00 0.00 C ATOM 108 CG HIS A -13 90.910 23.869 12.141 1.00 0.00 C ATOM 109 ND1 HIS A -13 89.938 23.227 11.405 1.00 0.00 N ATOM 110 CD2 HIS A -13 90.616 23.618 13.441 1.00 0.00 C ATOM 111 CE1 HIS A -13 89.096 22.626 12.222 1.00 0.00 C ATOM 112 NE2 HIS A -13 89.482 22.843 13.465 1.00 0.00 N ATOM 0 H HIS A -13 90.526 26.470 10.558 1.00 0.00 H new ATOM 0 HA HIS A -13 92.006 26.123 13.052 1.00 0.00 H new ATOM 0 HB2 HIS A -13 91.941 24.611 10.439 1.00 0.00 H new ATOM 0 HB3 HIS A -13 92.978 24.201 11.791 1.00 0.00 H new ATOM 0 HD2 HIS A -13 91.172 23.964 14.300 1.00 0.00 H new ATOM 0 HE1 HIS A -13 88.232 22.051 11.923 1.00 0.00 H new ATOM 0 HE2 HIS A -13 89.017 22.494 14.303 1.00 0.00 H new ATOM 121 N HIS A -12 94.218 27.102 12.393 1.00 0.00 N ATOM 122 CA HIS A -12 95.336 28.010 12.127 1.00 0.00 C ATOM 123 C HIS A -12 96.141 27.594 10.895 1.00 0.00 C ATOM 124 O HIS A -12 96.760 28.430 10.238 1.00 0.00 O ATOM 125 CB HIS A -12 96.252 28.104 13.348 1.00 0.00 C ATOM 126 CG HIS A -12 97.149 29.303 13.317 1.00 0.00 C ATOM 127 ND1 HIS A -12 98.521 29.223 13.253 1.00 0.00 N ATOM 128 CD2 HIS A -12 96.852 30.623 13.343 1.00 0.00 C ATOM 129 CE1 HIS A -12 99.029 30.439 13.235 1.00 0.00 C ATOM 130 NE2 HIS A -12 98.038 31.310 13.289 1.00 0.00 N ATOM 0 H HIS A -12 94.222 26.696 13.328 1.00 0.00 H new ATOM 0 HA HIS A -12 94.908 28.991 11.921 1.00 0.00 H new ATOM 0 HB2 HIS A -12 95.642 28.137 14.251 1.00 0.00 H new ATOM 0 HB3 HIS A -12 96.862 27.203 13.408 1.00 0.00 H new ATOM 0 HD2 HIS A -12 95.864 31.056 13.396 1.00 0.00 H new ATOM 0 HE1 HIS A -12 100.080 30.682 13.185 1.00 0.00 H new ATOM 0 HE2 HIS A -12 98.138 32.325 13.290 1.00 0.00 H new ATOM 139 N HIS A -11 96.137 26.307 10.593 1.00 0.00 N ATOM 140 CA HIS A -11 96.766 25.811 9.383 1.00 0.00 C ATOM 141 C HIS A -11 95.948 24.683 8.785 1.00 0.00 C ATOM 142 O HIS A -11 95.562 23.747 9.483 1.00 0.00 O ATOM 143 CB HIS A -11 98.201 25.353 9.644 1.00 0.00 C ATOM 144 CG HIS A -11 99.207 26.433 9.412 1.00 0.00 C ATOM 145 ND1 HIS A -11 99.928 27.027 10.421 1.00 0.00 N ATOM 146 CD2 HIS A -11 99.606 27.028 8.267 1.00 0.00 C ATOM 147 CE1 HIS A -11 100.725 27.945 9.908 1.00 0.00 C ATOM 148 NE2 HIS A -11 100.549 27.965 8.602 1.00 0.00 N ATOM 0 H HIS A -11 95.704 25.586 11.171 1.00 0.00 H new ATOM 0 HA HIS A -11 96.806 26.633 8.668 1.00 0.00 H new ATOM 0 HB2 HIS A -11 98.283 25.001 10.672 1.00 0.00 H new ATOM 0 HB3 HIS A -11 98.430 24.505 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A -11 99.249 26.807 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A -11 101.406 28.573 10.464 1.00 0.00 H new ATOM 0 HE2 HIS A -11 101.035 28.578 7.947 1.00 0.00 H new ATOM 157 N SER A -10 95.671 24.797 7.499 1.00 0.00 N ATOM 158 CA SER A -10 94.897 23.797 6.791 1.00 0.00 C ATOM 159 C SER A -10 95.742 22.559 6.514 1.00 0.00 C ATOM 160 O SER A -10 96.914 22.672 6.153 1.00 0.00 O ATOM 161 CB SER A -10 94.384 24.380 5.474 1.00 0.00 C ATOM 162 OG SER A -10 93.759 25.636 5.683 1.00 0.00 O ATOM 0 H SER A -10 95.974 25.580 6.920 1.00 0.00 H new ATOM 0 HA SER A -10 94.051 23.506 7.414 1.00 0.00 H new ATOM 0 HB2 SER A -10 95.213 24.494 4.775 1.00 0.00 H new ATOM 0 HB3 SER A -10 93.675 23.689 5.018 1.00 0.00 H new ATOM 0 HG SER A -10 93.441 25.990 4.826 1.00 0.00 H new ATOM 168 N SER A -9 95.140 21.385 6.674 1.00 0.00 N ATOM 169 CA SER A -9 95.824 20.122 6.415 1.00 0.00 C ATOM 170 C SER A -9 96.221 20.008 4.941 1.00 0.00 C ATOM 171 O SER A -9 97.094 19.220 4.581 1.00 0.00 O ATOM 172 CB SER A -9 94.911 18.960 6.805 1.00 0.00 C ATOM 173 OG SER A -9 94.299 19.205 8.061 1.00 0.00 O ATOM 0 H SER A -9 94.174 21.282 6.984 1.00 0.00 H new ATOM 0 HA SER A -9 96.734 20.087 7.013 1.00 0.00 H new ATOM 0 HB2 SER A -9 94.145 18.821 6.042 1.00 0.00 H new ATOM 0 HB3 SER A -9 95.488 18.036 6.850 1.00 0.00 H new ATOM 0 HG SER A -9 94.556 18.502 8.693 1.00 0.00 H new ATOM 179 N GLY A -8 95.572 20.808 4.097 1.00 0.00 N ATOM 180 CA GLY A -8 95.892 20.820 2.683 1.00 0.00 C ATOM 181 C GLY A -8 97.246 21.443 2.407 1.00 0.00 C ATOM 182 O GLY A -8 97.811 21.267 1.328 1.00 0.00 O ATOM 0 H GLY A -8 94.828 21.449 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A -8 95.879 19.799 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A -8 95.123 21.372 2.143 1.00 0.00 H new ATOM 186 N LEU A -7 97.765 22.180 3.380 1.00 0.00 N ATOM 187 CA LEU A -7 99.088 22.770 3.260 1.00 0.00 C ATOM 188 C LEU A -7 100.113 21.803 3.843 1.00 0.00 C ATOM 189 O LEU A -7 100.732 22.065 4.875 1.00 0.00 O ATOM 190 CB LEU A -7 99.144 24.127 3.976 1.00 0.00 C ATOM 191 CG LEU A -7 100.429 24.932 3.761 1.00 0.00 C ATOM 192 CD1 LEU A -7 100.614 25.266 2.289 1.00 0.00 C ATOM 193 CD2 LEU A -7 100.405 26.201 4.599 1.00 0.00 C ATOM 0 H LEU A -7 97.289 22.382 4.259 1.00 0.00 H new ATOM 0 HA LEU A -7 99.316 22.946 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A -7 98.299 24.729 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A -7 99.015 23.960 5.045 1.00 0.00 H new ATOM 0 HG LEU A -7 101.275 24.323 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A -7 101.533 25.838 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A -7 100.676 24.344 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A -7 99.766 25.856 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A -7 101.325 26.762 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A -7 99.550 26.812 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A -7 100.323 25.939 5.654 1.00 0.00 H new ATOM 205 N VAL A -6 100.258 20.666 3.181 1.00 0.00 N ATOM 206 CA VAL A -6 101.100 19.593 3.676 1.00 0.00 C ATOM 207 C VAL A -6 102.481 19.606 3.005 1.00 0.00 C ATOM 208 O VAL A -6 102.621 19.342 1.809 1.00 0.00 O ATOM 209 CB VAL A -6 100.405 18.216 3.493 1.00 0.00 C ATOM 210 CG1 VAL A -6 99.983 17.992 2.046 1.00 0.00 C ATOM 211 CG2 VAL A -6 101.300 17.085 3.975 1.00 0.00 C ATOM 0 H VAL A -6 99.799 20.464 2.293 1.00 0.00 H new ATOM 0 HA VAL A -6 101.253 19.758 4.743 1.00 0.00 H new ATOM 0 HB VAL A -6 99.503 18.221 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A -6 99.500 17.019 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A -6 99.285 18.773 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A -6 100.862 18.023 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A -6 100.789 16.132 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A -6 102.228 17.086 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A -6 101.525 17.225 5.032 1.00 0.00 H new ATOM 221 N PRO A -5 103.528 19.934 3.778 1.00 0.00 N ATOM 222 CA PRO A -5 104.903 19.961 3.281 1.00 0.00 C ATOM 223 C PRO A -5 105.521 18.567 3.220 1.00 0.00 C ATOM 224 O PRO A -5 106.656 18.397 2.776 1.00 0.00 O ATOM 225 CB PRO A -5 105.624 20.824 4.314 1.00 0.00 C ATOM 226 CG PRO A -5 104.884 20.584 5.584 1.00 0.00 C ATOM 227 CD PRO A -5 103.449 20.329 5.200 1.00 0.00 C ATOM 0 HA PRO A -5 104.969 20.344 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A -5 106.672 20.540 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A -5 105.602 21.878 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A -5 105.300 19.731 6.120 1.00 0.00 H new ATOM 0 HG3 PRO A -5 104.961 21.446 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A -5 103.006 19.542 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A -5 102.835 21.220 5.334 1.00 0.00 H new ATOM 235 N ARG A -4 104.762 17.572 3.667 1.00 0.00 N ATOM 236 CA ARG A -4 105.226 16.190 3.672 1.00 0.00 C ATOM 237 C ARG A -4 105.116 15.596 2.270 1.00 0.00 C ATOM 238 O ARG A -4 105.767 14.602 1.949 1.00 0.00 O ATOM 239 CB ARG A -4 104.388 15.335 4.633 1.00 0.00 C ATOM 240 CG ARG A -4 104.055 16.001 5.962 1.00 0.00 C ATOM 241 CD ARG A -4 103.142 15.112 6.794 1.00 0.00 C ATOM 242 NE ARG A -4 102.491 15.834 7.889 1.00 0.00 N ATOM 243 CZ ARG A -4 101.480 15.338 8.613 1.00 0.00 C ATOM 244 NH1 ARG A -4 101.023 14.111 8.379 1.00 0.00 N ATOM 245 NH2 ARG A -4 100.935 16.068 9.579 1.00 0.00 N ATOM 0 H ARG A -4 103.818 17.699 4.032 1.00 0.00 H new ATOM 0 HA ARG A -4 106.265 16.188 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A -4 103.457 15.064 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A -4 104.925 14.408 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A -4 104.973 16.205 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A -4 103.571 16.961 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A -4 102.380 14.676 6.148 1.00 0.00 H new ATOM 0 HD3 ARG A -4 103.722 14.286 7.204 1.00 0.00 H new ATOM 0 HE ARG A -4 102.828 16.770 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A -4 101.443 13.542 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A -4 100.252 13.739 8.934 1.00 0.00 H new ATOM 0 HH21 ARG A -4 101.287 17.006 9.769 1.00 0.00 H new ATOM 0 HH22 ARG A -4 100.165 15.690 10.131 1.00 0.00 H new ATOM 259 N GLY A -3 104.289 16.218 1.439 1.00 0.00 N ATOM 260 CA GLY A -3 103.988 15.660 0.137 1.00 0.00 C ATOM 261 C GLY A -3 102.920 14.598 0.250 1.00 0.00 C ATOM 262 O GLY A -3 101.735 14.919 0.345 1.00 0.00 O ATOM 0 H GLY A -3 103.821 17.101 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A -3 103.654 16.450 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A -3 104.890 15.231 -0.299 1.00 0.00 H new ATOM 266 N SER A -2 103.348 13.341 0.248 1.00 0.00 N ATOM 267 CA SER A -2 102.472 12.207 0.525 1.00 0.00 C ATOM 268 C SER A -2 101.214 12.209 -0.348 1.00 0.00 C ATOM 269 O SER A -2 100.099 12.054 0.153 1.00 0.00 O ATOM 270 CB SER A -2 102.089 12.212 2.006 1.00 0.00 C ATOM 271 OG SER A -2 103.251 12.215 2.823 1.00 0.00 O ATOM 0 H SER A -2 104.314 13.078 0.054 1.00 0.00 H new ATOM 0 HA SER A -2 103.021 11.297 0.283 1.00 0.00 H new ATOM 0 HB2 SER A -2 101.480 13.089 2.227 1.00 0.00 H new ATOM 0 HB3 SER A -2 101.481 11.336 2.233 1.00 0.00 H new ATOM 0 HG SER A -2 102.987 12.220 3.767 1.00 0.00 H new ATOM 277 N HIS A -1 101.393 12.376 -1.655 1.00 0.00 N ATOM 278 CA HIS A -1 100.281 12.247 -2.589 1.00 0.00 C ATOM 279 C HIS A -1 99.933 10.775 -2.755 1.00 0.00 C ATOM 280 O HIS A -1 100.394 10.108 -3.680 1.00 0.00 O ATOM 281 CB HIS A -1 100.606 12.887 -3.941 1.00 0.00 C ATOM 282 CG HIS A -1 100.514 14.383 -3.932 1.00 0.00 C ATOM 283 ND1 HIS A -1 99.643 15.084 -4.738 1.00 0.00 N ATOM 284 CD2 HIS A -1 101.184 15.315 -3.211 1.00 0.00 C ATOM 285 CE1 HIS A -1 99.782 16.376 -4.515 1.00 0.00 C ATOM 286 NE2 HIS A -1 100.709 16.544 -3.594 1.00 0.00 N ATOM 0 H HIS A -1 102.289 12.599 -2.088 1.00 0.00 H new ATOM 0 HA HIS A -1 99.420 12.778 -2.183 1.00 0.00 H new ATOM 0 HB2 HIS A -1 101.613 12.595 -4.240 1.00 0.00 H new ATOM 0 HB3 HIS A -1 99.923 12.493 -4.694 1.00 0.00 H new ATOM 0 HD2 HIS A -1 101.949 15.126 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A -1 99.229 17.164 -5.005 1.00 0.00 H new ATOM 0 HE2 HIS A -1 101.023 17.442 -3.225 1.00 0.00 H new ATOM 295 N MET A 0 99.137 10.281 -1.825 1.00 0.00 N ATOM 296 CA MET A 0 98.861 8.861 -1.710 1.00 0.00 C ATOM 297 C MET A 0 97.687 8.448 -2.589 1.00 0.00 C ATOM 298 O MET A 0 96.733 9.203 -2.765 1.00 0.00 O ATOM 299 CB MET A 0 98.576 8.530 -0.245 1.00 0.00 C ATOM 300 CG MET A 0 98.472 7.047 0.047 1.00 0.00 C ATOM 301 SD MET A 0 98.248 6.717 1.802 1.00 0.00 S ATOM 302 CE MET A 0 98.253 4.931 1.792 1.00 0.00 C ATOM 0 H MET A 0 98.663 10.854 -1.127 1.00 0.00 H new ATOM 0 HA MET A 0 99.732 8.303 -2.053 1.00 0.00 H new ATOM 0 HB2 MET A 0 99.367 8.956 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.645 9.013 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 0 97.635 6.626 -0.510 1.00 0.00 H new ATOM 0 HG3 MET A 0 99.374 6.545 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.374 4.562 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.310 4.567 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 0 99.078 4.573 1.176 1.00 0.00 H new ATOM 312 N MET A 1 97.770 7.244 -3.141 1.00 0.00 N ATOM 313 CA MET A 1 96.713 6.715 -3.991 1.00 0.00 C ATOM 314 C MET A 1 96.081 5.485 -3.353 1.00 0.00 C ATOM 315 O MET A 1 96.765 4.492 -3.096 1.00 0.00 O ATOM 316 CB MET A 1 97.266 6.343 -5.369 1.00 0.00 C ATOM 317 CG MET A 1 97.919 7.501 -6.105 1.00 0.00 C ATOM 318 SD MET A 1 98.519 7.029 -7.737 1.00 0.00 S ATOM 319 CE MET A 1 99.182 8.590 -8.310 1.00 0.00 C ATOM 0 H MET A 1 98.562 6.614 -3.014 1.00 0.00 H new ATOM 0 HA MET A 1 95.955 7.490 -4.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 97.996 5.542 -5.252 1.00 0.00 H new ATOM 0 HB3 MET A 1 96.455 5.948 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.201 8.314 -6.207 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.750 7.882 -5.512 1.00 0.00 H new ATOM 0 HE1 MET A 1 99.593 8.465 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 98.387 9.336 -8.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 99.970 8.921 -7.633 1.00 0.00 H new ATOM 329 N PHE A 2 94.785 5.556 -3.092 1.00 0.00 N ATOM 330 CA PHE A 2 94.050 4.424 -2.545 1.00 0.00 C ATOM 331 C PHE A 2 92.733 4.264 -3.292 1.00 0.00 C ATOM 332 O PHE A 2 91.831 5.090 -3.168 1.00 0.00 O ATOM 333 CB PHE A 2 93.801 4.616 -1.044 1.00 0.00 C ATOM 334 CG PHE A 2 93.221 3.404 -0.359 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.005 2.286 -0.122 1.00 0.00 C ATOM 336 CD2 PHE A 2 91.897 3.388 0.052 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.479 1.174 0.512 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.366 2.280 0.688 1.00 0.00 C ATOM 339 CZ PHE A 2 92.159 1.171 0.920 1.00 0.00 C ATOM 0 H PHE A 2 94.218 6.389 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 2 94.643 3.519 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 2 94.742 4.878 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.124 5.459 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.038 2.283 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.273 4.251 -0.126 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.100 0.308 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.333 2.281 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 2 91.748 0.306 1.418 1.00 0.00 H new ATOM 349 N LYS A 3 92.636 3.209 -4.084 1.00 0.00 N ATOM 350 CA LYS A 3 91.453 2.970 -4.894 1.00 0.00 C ATOM 351 C LYS A 3 90.432 2.131 -4.143 1.00 0.00 C ATOM 352 O LYS A 3 90.446 0.905 -4.220 1.00 0.00 O ATOM 353 CB LYS A 3 91.821 2.268 -6.202 1.00 0.00 C ATOM 354 CG LYS A 3 92.411 3.184 -7.259 1.00 0.00 C ATOM 355 CD LYS A 3 92.771 2.403 -8.513 1.00 0.00 C ATOM 356 CE LYS A 3 92.966 3.318 -9.708 1.00 0.00 C ATOM 357 NZ LYS A 3 91.720 4.057 -10.040 1.00 0.00 N ATOM 0 H LYS A 3 93.365 2.502 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 3 91.014 3.942 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.536 1.474 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.929 1.791 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.696 3.968 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.300 3.676 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.684 1.834 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.983 1.682 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 3 93.766 4.028 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.282 2.730 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 91.747 4.353 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 90.898 3.439 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 91.642 4.897 -9.431 1.00 0.00 H new ATOM 371 N LEU A 4 89.563 2.789 -3.398 1.00 0.00 N ATOM 372 CA LEU A 4 88.480 2.097 -2.726 1.00 0.00 C ATOM 373 C LEU A 4 87.321 1.939 -3.704 1.00 0.00 C ATOM 374 O LEU A 4 86.640 2.913 -4.031 1.00 0.00 O ATOM 375 CB LEU A 4 88.036 2.879 -1.484 1.00 0.00 C ATOM 376 CG LEU A 4 87.620 2.028 -0.278 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.192 2.918 0.876 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.504 1.063 -0.643 1.00 0.00 C ATOM 0 H LEU A 4 89.586 3.797 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 4 88.817 1.114 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 4 88.851 3.535 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.198 3.519 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 4 88.484 1.441 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 4 86.900 2.299 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.022 3.562 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.346 3.533 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.231 0.474 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.636 1.625 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.844 0.397 -1.437 1.00 0.00 H new ATOM 390 N THR A 5 87.122 0.721 -4.194 1.00 0.00 N ATOM 391 CA THR A 5 86.100 0.468 -5.198 1.00 0.00 C ATOM 392 C THR A 5 84.694 0.720 -4.638 1.00 0.00 C ATOM 393 O THR A 5 84.437 0.495 -3.453 1.00 0.00 O ATOM 394 CB THR A 5 86.212 -0.964 -5.754 1.00 0.00 C ATOM 395 OG1 THR A 5 86.172 -1.915 -4.685 1.00 0.00 O ATOM 396 CG2 THR A 5 87.501 -1.136 -6.544 1.00 0.00 C ATOM 0 H THR A 5 87.653 -0.103 -3.913 1.00 0.00 H new ATOM 0 HA THR A 5 86.267 1.167 -6.018 1.00 0.00 H new ATOM 0 HB THR A 5 85.367 -1.136 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.086 -2.139 -4.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.560 -2.155 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.514 -0.433 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.355 -0.943 -5.894 1.00 0.00 H new ATOM 404 N PRO A 6 83.770 1.193 -5.495 1.00 0.00 N ATOM 405 CA PRO A 6 82.433 1.648 -5.079 1.00 0.00 C ATOM 406 C PRO A 6 81.644 0.615 -4.274 1.00 0.00 C ATOM 407 O PRO A 6 81.006 0.954 -3.274 1.00 0.00 O ATOM 408 CB PRO A 6 81.717 1.948 -6.405 1.00 0.00 C ATOM 409 CG PRO A 6 82.548 1.306 -7.462 1.00 0.00 C ATOM 410 CD PRO A 6 83.955 1.328 -6.947 1.00 0.00 C ATOM 0 HA PRO A 6 82.513 2.503 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.704 1.545 -6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.633 3.022 -6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.218 0.285 -7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.468 1.848 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.549 0.511 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.466 2.255 -7.206 1.00 0.00 H new ATOM 418 N ALA A 7 81.696 -0.642 -4.689 1.00 0.00 N ATOM 419 CA ALA A 7 80.898 -1.675 -4.043 1.00 0.00 C ATOM 420 C ALA A 7 81.572 -2.152 -2.762 1.00 0.00 C ATOM 421 O ALA A 7 80.905 -2.555 -1.807 1.00 0.00 O ATOM 422 CB ALA A 7 80.649 -2.832 -4.996 1.00 0.00 C ATOM 0 H ALA A 7 82.276 -0.970 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 7 79.932 -1.248 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.051 -3.594 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.115 -2.471 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 7 81.602 -3.262 -5.303 1.00 0.00 H new ATOM 428 N ALA A 8 82.899 -2.086 -2.741 1.00 0.00 N ATOM 429 CA ALA A 8 83.657 -2.433 -1.547 1.00 0.00 C ATOM 430 C ALA A 8 83.499 -1.353 -0.488 1.00 0.00 C ATOM 431 O ALA A 8 83.564 -1.631 0.706 1.00 0.00 O ATOM 432 CB ALA A 8 85.126 -2.639 -1.879 1.00 0.00 C ATOM 0 H ALA A 8 83.469 -1.796 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 8 83.263 -3.370 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.671 -2.897 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.225 -3.447 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.536 -1.721 -2.300 1.00 0.00 H new ATOM 438 N ALA A 9 83.281 -0.122 -0.935 1.00 0.00 N ATOM 439 CA ALA A 9 83.035 0.991 -0.027 1.00 0.00 C ATOM 440 C ALA A 9 81.785 0.733 0.801 1.00 0.00 C ATOM 441 O ALA A 9 81.760 0.987 2.006 1.00 0.00 O ATOM 442 CB ALA A 9 82.902 2.293 -0.803 1.00 0.00 C ATOM 0 H ALA A 9 83.270 0.131 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 9 83.885 1.080 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.719 3.113 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.823 2.483 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.069 2.216 -1.502 1.00 0.00 H new ATOM 448 N GLU A 10 80.754 0.211 0.147 1.00 0.00 N ATOM 449 CA GLU A 10 79.522 -0.159 0.825 1.00 0.00 C ATOM 450 C GLU A 10 79.776 -1.322 1.780 1.00 0.00 C ATOM 451 O GLU A 10 79.193 -1.394 2.861 1.00 0.00 O ATOM 452 CB GLU A 10 78.449 -0.537 -0.198 1.00 0.00 C ATOM 453 CG GLU A 10 77.120 -0.927 0.426 1.00 0.00 C ATOM 454 CD GLU A 10 76.077 -1.287 -0.609 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.062 -2.449 -1.067 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.265 -0.408 -0.968 1.00 0.00 O ATOM 0 H GLU A 10 80.749 0.035 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 10 79.168 0.696 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.290 0.304 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.813 -1.367 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.271 -1.774 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.752 -0.102 1.036 1.00 0.00 H new ATOM 463 N GLN A 11 80.665 -2.221 1.377 1.00 0.00 N ATOM 464 CA GLN A 11 81.016 -3.373 2.196 1.00 0.00 C ATOM 465 C GLN A 11 81.717 -2.918 3.475 1.00 0.00 C ATOM 466 O GLN A 11 81.407 -3.395 4.567 1.00 0.00 O ATOM 467 CB GLN A 11 81.914 -4.330 1.404 1.00 0.00 C ATOM 468 CG GLN A 11 82.109 -5.687 2.068 1.00 0.00 C ATOM 469 CD GLN A 11 80.853 -6.539 2.053 1.00 0.00 C ATOM 470 OE1 GLN A 11 79.735 -6.028 2.074 1.00 0.00 O ATOM 471 NE2 GLN A 11 81.033 -7.848 2.022 1.00 0.00 N ATOM 0 H GLN A 11 81.157 -2.174 0.485 1.00 0.00 H new ATOM 0 HA GLN A 11 80.103 -3.901 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.484 -4.480 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.889 -3.863 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.911 -6.222 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 11 82.429 -5.538 3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.978 -8.233 2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 11 80.227 -8.474 2.015 1.00 0.00 H new ATOM 480 N VAL A 12 82.654 -1.983 3.328 1.00 0.00 N ATOM 481 CA VAL A 12 83.350 -1.403 4.474 1.00 0.00 C ATOM 482 C VAL A 12 82.368 -0.643 5.362 1.00 0.00 C ATOM 483 O VAL A 12 82.423 -0.731 6.590 1.00 0.00 O ATOM 484 CB VAL A 12 84.484 -0.447 4.035 1.00 0.00 C ATOM 485 CG1 VAL A 12 85.185 0.160 5.243 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.488 -1.170 3.152 1.00 0.00 C ATOM 0 H VAL A 12 82.949 -1.611 2.425 1.00 0.00 H new ATOM 0 HA VAL A 12 83.793 -2.228 5.032 1.00 0.00 H new ATOM 0 HB VAL A 12 84.033 0.361 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.978 0.828 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.465 0.722 5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.615 -0.635 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 12 86.276 -0.478 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.925 -2.003 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.984 -1.549 2.263 1.00 0.00 H new ATOM 496 N LEU A 13 81.460 0.091 4.727 1.00 0.00 N ATOM 497 CA LEU A 13 80.434 0.834 5.444 1.00 0.00 C ATOM 498 C LEU A 13 79.565 -0.116 6.263 1.00 0.00 C ATOM 499 O LEU A 13 79.213 0.174 7.404 1.00 0.00 O ATOM 500 CB LEU A 13 79.567 1.626 4.462 1.00 0.00 C ATOM 501 CG LEU A 13 78.470 2.484 5.100 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.079 3.564 5.984 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.587 3.104 4.028 1.00 0.00 C ATOM 0 H LEU A 13 81.415 0.186 3.712 1.00 0.00 H new ATOM 0 HA LEU A 13 80.923 1.533 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.215 2.274 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.100 0.926 3.769 1.00 0.00 H new ATOM 0 HG LEU A 13 77.851 1.840 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.283 4.162 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.667 3.098 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 13 79.723 4.206 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.813 3.710 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.193 3.733 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.121 2.314 3.439 1.00 0.00 H new ATOM 515 N LYS A 14 79.234 -1.259 5.672 1.00 0.00 N ATOM 516 CA LYS A 14 78.437 -2.269 6.352 1.00 0.00 C ATOM 517 C LYS A 14 79.219 -2.871 7.516 1.00 0.00 C ATOM 518 O LYS A 14 78.656 -3.132 8.575 1.00 0.00 O ATOM 519 CB LYS A 14 78.016 -3.373 5.378 1.00 0.00 C ATOM 520 CG LYS A 14 77.021 -4.360 5.969 1.00 0.00 C ATOM 521 CD LYS A 14 76.685 -5.471 4.986 1.00 0.00 C ATOM 522 CE LYS A 14 77.884 -6.367 4.728 1.00 0.00 C ATOM 523 NZ LYS A 14 77.615 -7.356 3.654 1.00 0.00 N ATOM 0 H LYS A 14 79.507 -1.508 4.721 1.00 0.00 H new ATOM 0 HA LYS A 14 77.540 -1.788 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.578 -2.916 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.903 -3.916 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.434 -4.792 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.109 -3.834 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.861 -6.068 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.345 -5.036 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.742 -5.754 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.150 -6.891 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.767 -8.317 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.631 -7.260 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.258 -7.185 2.855 1.00 0.00 H new ATOM 537 N ALA A 15 80.516 -3.076 7.314 1.00 0.00 N ATOM 538 CA ALA A 15 81.381 -3.610 8.364 1.00 0.00 C ATOM 539 C ALA A 15 81.389 -2.686 9.577 1.00 0.00 C ATOM 540 O ALA A 15 81.322 -3.141 10.718 1.00 0.00 O ATOM 541 CB ALA A 15 82.793 -3.813 7.837 1.00 0.00 C ATOM 0 H ALA A 15 80.993 -2.881 6.434 1.00 0.00 H new ATOM 0 HA ALA A 15 80.986 -4.577 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 83.424 -4.211 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.773 -4.515 7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 15 83.195 -2.859 7.498 1.00 0.00 H new ATOM 547 N ALA A 16 81.459 -1.386 9.316 1.00 0.00 N ATOM 548 CA ALA A 16 81.406 -0.390 10.381 1.00 0.00 C ATOM 549 C ALA A 16 80.013 -0.337 10.994 1.00 0.00 C ATOM 550 O ALA A 16 79.854 -0.098 12.191 1.00 0.00 O ATOM 551 CB ALA A 16 81.800 0.979 9.846 1.00 0.00 C ATOM 0 H ALA A 16 81.552 -0.997 8.378 1.00 0.00 H new ATOM 0 HA ALA A 16 82.115 -0.678 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.756 1.711 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.815 0.937 9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.112 1.271 9.052 1.00 0.00 H new ATOM 557 N LYS A 17 79.007 -0.576 10.163 1.00 0.00 N ATOM 558 CA LYS A 17 77.617 -0.549 10.600 1.00 0.00 C ATOM 559 C LYS A 17 77.317 -1.728 11.525 1.00 0.00 C ATOM 560 O LYS A 17 76.500 -1.620 12.442 1.00 0.00 O ATOM 561 CB LYS A 17 76.687 -0.593 9.385 1.00 0.00 C ATOM 562 CG LYS A 17 75.245 -0.253 9.709 1.00 0.00 C ATOM 563 CD LYS A 17 75.109 1.201 10.126 1.00 0.00 C ATOM 564 CE LYS A 17 73.691 1.529 10.558 1.00 0.00 C ATOM 565 NZ LYS A 17 73.538 2.964 10.904 1.00 0.00 N ATOM 0 H LYS A 17 79.130 -0.793 9.174 1.00 0.00 H new ATOM 0 HA LYS A 17 77.448 0.376 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 17 77.055 0.103 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 17 76.726 -1.589 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 17 74.618 -0.446 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.886 -0.900 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.797 1.411 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 17 75.395 1.846 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 17 72.998 1.273 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.423 0.917 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.592 3.125 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 74.261 3.232 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 73.653 3.542 10.047 1.00 0.00 H new ATOM 579 N GLN A 18 77.996 -2.844 11.291 1.00 0.00 N ATOM 580 CA GLN A 18 77.811 -4.050 12.093 1.00 0.00 C ATOM 581 C GLN A 18 78.580 -3.956 13.408 1.00 0.00 C ATOM 582 O GLN A 18 78.655 -4.927 14.166 1.00 0.00 O ATOM 583 CB GLN A 18 78.264 -5.287 11.319 1.00 0.00 C ATOM 584 CG GLN A 18 77.452 -5.560 10.061 1.00 0.00 C ATOM 585 CD GLN A 18 77.917 -6.801 9.328 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.092 -7.165 9.374 1.00 0.00 O ATOM 587 NE2 GLN A 18 77.000 -7.459 8.637 1.00 0.00 N ATOM 0 H GLN A 18 78.686 -2.940 10.546 1.00 0.00 H new ATOM 0 HA GLN A 18 76.748 -4.139 12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.312 -5.168 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.203 -6.156 11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.401 -5.672 10.328 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.521 -4.701 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 18 76.036 -7.126 8.623 1.00 0.00 H new ATOM 0 HE22 GLN A 18 77.257 -8.299 8.119 1.00 0.00 H new ATOM 596 N GLY A 19 79.156 -2.796 13.670 1.00 0.00 N ATOM 597 CA GLY A 19 79.862 -2.577 14.912 1.00 0.00 C ATOM 598 C GLY A 19 79.578 -1.205 15.478 1.00 0.00 C ATOM 599 O GLY A 19 78.714 -0.486 14.971 1.00 0.00 O ATOM 0 H GLY A 19 79.147 -1.995 13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 19 79.570 -3.338 15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 19 80.934 -2.689 14.747 1.00 0.00 H new ATOM 603 N GLY A 20 80.299 -0.836 16.521 1.00 0.00 N ATOM 604 CA GLY A 20 80.121 0.475 17.115 1.00 0.00 C ATOM 605 C GLY A 20 81.084 1.487 16.537 1.00 0.00 C ATOM 606 O GLY A 20 81.143 2.635 16.980 1.00 0.00 O ATOM 0 H GLY A 20 81.006 -1.419 16.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.097 0.812 16.952 1.00 0.00 H new ATOM 0 HA3 GLY A 20 80.267 0.409 18.193 1.00 0.00 H new ATOM 610 N THR A 21 81.820 1.063 15.524 1.00 0.00 N ATOM 611 CA THR A 21 82.837 1.891 14.906 1.00 0.00 C ATOM 612 C THR A 21 82.255 2.761 13.793 1.00 0.00 C ATOM 613 O THR A 21 82.987 3.273 12.948 1.00 0.00 O ATOM 614 CB THR A 21 83.962 1.007 14.341 1.00 0.00 C ATOM 615 OG1 THR A 21 83.395 -0.073 13.587 1.00 0.00 O ATOM 616 CG2 THR A 21 84.830 0.451 15.463 1.00 0.00 C ATOM 0 H THR A 21 81.728 0.136 15.108 1.00 0.00 H new ATOM 0 HA THR A 21 83.240 2.552 15.674 1.00 0.00 H new ATOM 0 HB THR A 21 84.588 1.618 13.691 1.00 0.00 H new ATOM 0 HG1 THR A 21 84.114 -0.633 13.227 1.00 0.00 H new ATOM 0 HG21 THR A 21 85.618 -0.171 15.039 1.00 0.00 H new ATOM 0 HG22 THR A 21 85.277 1.275 16.019 1.00 0.00 H new ATOM 0 HG23 THR A 21 84.216 -0.149 16.135 1.00 0.00 H new ATOM 624 N GLU A 22 80.935 2.934 13.809 1.00 0.00 N ATOM 625 CA GLU A 22 80.252 3.767 12.825 1.00 0.00 C ATOM 626 C GLU A 22 80.786 5.198 12.864 1.00 0.00 C ATOM 627 O GLU A 22 81.119 5.781 11.832 1.00 0.00 O ATOM 628 CB GLU A 22 78.745 3.769 13.094 1.00 0.00 C ATOM 629 CG GLU A 22 77.949 4.598 12.101 1.00 0.00 C ATOM 630 CD GLU A 22 76.509 4.787 12.527 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.247 5.677 13.361 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.631 4.057 12.031 1.00 0.00 O ATOM 0 H GLU A 22 80.316 2.505 14.497 1.00 0.00 H new ATOM 0 HA GLU A 22 80.441 3.352 11.835 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.380 2.742 13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.565 4.150 14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.421 5.573 11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.975 4.114 11.125 1.00 0.00 H new ATOM 639 N GLY A 23 80.881 5.752 14.067 1.00 0.00 N ATOM 640 CA GLY A 23 81.384 7.102 14.228 1.00 0.00 C ATOM 641 C GLY A 23 82.884 7.129 14.447 1.00 0.00 C ATOM 642 O GLY A 23 83.410 8.016 15.124 1.00 0.00 O ATOM 0 H GLY A 23 80.617 5.288 14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.137 7.689 13.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.886 7.576 15.074 1.00 0.00 H new ATOM 646 N MET A 24 83.569 6.153 13.875 1.00 0.00 N ATOM 647 CA MET A 24 85.011 6.041 14.004 1.00 0.00 C ATOM 648 C MET A 24 85.632 5.937 12.615 1.00 0.00 C ATOM 649 O MET A 24 85.093 5.259 11.743 1.00 0.00 O ATOM 650 CB MET A 24 85.362 4.817 14.856 1.00 0.00 C ATOM 651 CG MET A 24 86.838 4.704 15.196 1.00 0.00 C ATOM 652 SD MET A 24 87.204 3.318 16.292 1.00 0.00 S ATOM 653 CE MET A 24 86.268 3.768 17.750 1.00 0.00 C ATOM 0 H MET A 24 83.142 5.419 13.310 1.00 0.00 H new ATOM 0 HA MET A 24 85.410 6.925 14.501 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.788 4.855 15.782 1.00 0.00 H new ATOM 0 HB3 MET A 24 85.052 3.917 14.326 1.00 0.00 H new ATOM 0 HG2 MET A 24 87.410 4.593 14.275 1.00 0.00 H new ATOM 0 HG3 MET A 24 87.169 5.630 15.667 1.00 0.00 H new ATOM 0 HE1 MET A 24 86.680 3.255 18.619 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.328 4.846 17.902 1.00 0.00 H new ATOM 0 HE3 MET A 24 85.226 3.478 17.617 1.00 0.00 H new ATOM 663 N CYS A 25 86.748 6.618 12.406 1.00 0.00 N ATOM 664 CA CYS A 25 87.352 6.681 11.086 1.00 0.00 C ATOM 665 C CYS A 25 88.205 5.438 10.827 1.00 0.00 C ATOM 666 O CYS A 25 88.626 4.754 11.767 1.00 0.00 O ATOM 667 CB CYS A 25 88.186 7.956 10.946 1.00 0.00 C ATOM 668 SG CYS A 25 88.490 8.451 9.233 1.00 0.00 S ATOM 0 H CYS A 25 87.251 7.132 13.130 1.00 0.00 H new ATOM 0 HA CYS A 25 86.559 6.707 10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.678 8.769 11.464 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.143 7.809 11.446 1.00 0.00 H new ATOM 0 HG CYS A 25 87.932 9.603 9.009 1.00 0.00 H new ATOM 674 N LEU A 26 88.461 5.150 9.556 1.00 0.00 N ATOM 675 CA LEU A 26 89.148 3.922 9.179 1.00 0.00 C ATOM 676 C LEU A 26 90.661 4.125 9.159 1.00 0.00 C ATOM 677 O LEU A 26 91.193 4.867 8.333 1.00 0.00 O ATOM 678 CB LEU A 26 88.657 3.439 7.810 1.00 0.00 C ATOM 679 CG LEU A 26 89.095 2.023 7.422 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.546 1.010 8.410 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.630 1.682 6.017 1.00 0.00 C ATOM 0 H LEU A 26 88.204 5.749 8.771 1.00 0.00 H new ATOM 0 HA LEU A 26 88.919 3.161 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.568 3.482 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 26 89.012 4.133 7.049 1.00 0.00 H new ATOM 0 HG LEU A 26 90.184 1.986 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.866 0.009 8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.920 1.236 9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.457 1.057 8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.952 0.672 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.543 1.739 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.061 2.390 5.309 1.00 0.00 H new ATOM 693 N ARG A 27 91.342 3.457 10.076 1.00 0.00 N ATOM 694 CA ARG A 27 92.790 3.532 10.183 1.00 0.00 C ATOM 695 C ARG A 27 93.420 2.334 9.475 1.00 0.00 C ATOM 696 O ARG A 27 93.216 1.191 9.878 1.00 0.00 O ATOM 697 CB ARG A 27 93.204 3.530 11.659 1.00 0.00 C ATOM 698 CG ARG A 27 94.698 3.709 11.884 1.00 0.00 C ATOM 699 CD ARG A 27 95.094 5.176 11.882 1.00 0.00 C ATOM 700 NE ARG A 27 94.639 5.868 13.090 1.00 0.00 N ATOM 701 CZ ARG A 27 94.687 7.188 13.260 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.126 7.969 12.283 1.00 0.00 N ATOM 703 NH2 ARG A 27 94.291 7.723 14.408 1.00 0.00 N ATOM 0 H ARG A 27 90.906 2.847 10.768 1.00 0.00 H new ATOM 0 HA ARG A 27 93.135 4.454 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.671 4.328 12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.889 2.590 12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.980 3.257 12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.249 3.182 11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.178 5.259 11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.672 5.664 11.004 1.00 0.00 H new ATOM 0 HE ARG A 27 94.261 5.302 13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 27 95.428 7.559 11.399 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.162 8.980 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 27 93.950 7.123 15.159 1.00 0.00 H new ATOM 0 HH22 ARG A 27 94.327 8.734 14.539 1.00 0.00 H new ATOM 717 N LEU A 28 94.172 2.586 8.419 1.00 0.00 N ATOM 718 CA LEU A 28 94.827 1.502 7.695 1.00 0.00 C ATOM 719 C LEU A 28 96.243 1.283 8.208 1.00 0.00 C ATOM 720 O LEU A 28 96.905 2.222 8.653 1.00 0.00 O ATOM 721 CB LEU A 28 94.848 1.781 6.193 1.00 0.00 C ATOM 722 CG LEU A 28 93.476 1.793 5.515 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.627 2.012 4.020 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.731 0.496 5.788 1.00 0.00 C ATOM 0 H LEU A 28 94.346 3.518 8.044 1.00 0.00 H new ATOM 0 HA LEU A 28 94.251 0.593 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.327 2.745 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.469 1.028 5.708 1.00 0.00 H new ATOM 0 HG LEU A 28 92.895 2.616 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.643 2.018 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.120 2.967 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.227 1.208 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.758 0.525 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.308 -0.344 5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.592 0.376 6.862 1.00 0.00 H new ATOM 736 N ALA A 29 96.692 0.036 8.159 1.00 0.00 N ATOM 737 CA ALA A 29 98.026 -0.324 8.611 1.00 0.00 C ATOM 738 C ALA A 29 98.647 -1.357 7.677 1.00 0.00 C ATOM 739 O ALA A 29 97.941 -2.023 6.919 1.00 0.00 O ATOM 740 CB ALA A 29 97.975 -0.859 10.035 1.00 0.00 C ATOM 0 H ALA A 29 96.144 -0.749 7.807 1.00 0.00 H new ATOM 0 HA ALA A 29 98.649 0.571 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.981 -1.125 10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.570 -0.094 10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.338 -1.743 10.069 1.00 0.00 H new ATOM 746 N ALA A 30 99.962 -1.489 7.732 1.00 0.00 N ATOM 747 CA ALA A 30 100.666 -2.450 6.898 1.00 0.00 C ATOM 748 C ALA A 30 101.709 -3.200 7.715 1.00 0.00 C ATOM 749 O ALA A 30 102.680 -2.611 8.190 1.00 0.00 O ATOM 750 CB ALA A 30 101.316 -1.749 5.716 1.00 0.00 C ATOM 0 H ALA A 30 100.565 -0.942 8.347 1.00 0.00 H new ATOM 0 HA ALA A 30 99.945 -3.172 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.839 -2.482 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.549 -1.256 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.027 -1.007 6.079 1.00 0.00 H new ATOM 756 N GLY A 31 101.499 -4.496 7.882 1.00 0.00 N ATOM 757 CA GLY A 31 102.414 -5.300 8.662 1.00 0.00 C ATOM 758 C GLY A 31 103.319 -6.140 7.787 1.00 0.00 C ATOM 759 O GLY A 31 102.912 -7.185 7.286 1.00 0.00 O ATOM 0 H GLY A 31 100.708 -5.007 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.021 -4.650 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 101.847 -5.951 9.328 1.00 0.00 H new ATOM 763 N ARG A 32 104.540 -5.676 7.585 1.00 0.00 N ATOM 764 CA ARG A 32 105.498 -6.402 6.768 1.00 0.00 C ATOM 765 C ARG A 32 106.078 -7.588 7.537 1.00 0.00 C ATOM 766 O ARG A 32 106.673 -7.422 8.602 1.00 0.00 O ATOM 767 CB ARG A 32 106.626 -5.471 6.296 1.00 0.00 C ATOM 768 CG ARG A 32 107.360 -4.764 7.427 1.00 0.00 C ATOM 769 CD ARG A 32 108.551 -3.971 6.915 1.00 0.00 C ATOM 770 NE ARG A 32 109.241 -3.266 7.998 1.00 0.00 N ATOM 771 CZ ARG A 32 110.461 -2.739 7.896 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.158 -2.859 6.774 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.990 -2.103 8.929 1.00 0.00 N ATOM 0 H ARG A 32 104.892 -4.801 7.975 1.00 0.00 H new ATOM 0 HA ARG A 32 104.973 -6.782 5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.344 -6.052 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 32 106.207 -4.722 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.673 -4.095 7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.699 -5.499 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.249 -4.644 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.215 -3.251 6.169 1.00 0.00 H new ATOM 0 HE ARG A 32 108.755 -3.172 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 32 110.761 -3.359 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.091 -2.452 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 32 110.464 -2.018 9.799 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.923 -1.698 8.855 1.00 0.00 H new ATOM 787 N ASN A 33 105.881 -8.786 7.005 1.00 0.00 N ATOM 788 CA ASN A 33 106.486 -9.975 7.584 1.00 0.00 C ATOM 789 C ASN A 33 107.970 -9.998 7.248 1.00 0.00 C ATOM 790 O ASN A 33 108.387 -9.412 6.247 1.00 0.00 O ATOM 791 CB ASN A 33 105.809 -11.252 7.066 1.00 0.00 C ATOM 792 CG ASN A 33 104.406 -11.444 7.617 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.223 -12.026 8.684 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.410 -10.968 6.886 1.00 0.00 N ATOM 0 H ASN A 33 105.310 -8.959 6.178 1.00 0.00 H new ATOM 0 HA ASN A 33 106.352 -9.942 8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.765 -11.217 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.420 -12.115 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.447 -11.078 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.606 -10.491 6.006 1.00 0.00 H new ATOM 801 N PRO A 34 108.788 -10.669 8.071 1.00 0.00 N ATOM 802 CA PRO A 34 110.244 -10.731 7.871 1.00 0.00 C ATOM 803 C PRO A 34 110.635 -11.273 6.495 1.00 0.00 C ATOM 804 O PRO A 34 111.718 -10.978 5.990 1.00 0.00 O ATOM 805 CB PRO A 34 110.718 -11.683 8.971 1.00 0.00 C ATOM 806 CG PRO A 34 109.658 -11.619 10.015 1.00 0.00 C ATOM 807 CD PRO A 34 108.369 -11.410 9.276 1.00 0.00 C ATOM 0 HA PRO A 34 110.694 -9.740 7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 34 110.838 -12.698 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 34 111.685 -11.376 9.370 1.00 0.00 H new ATOM 0 HG2 PRO A 34 109.629 -12.538 10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 34 109.845 -10.803 10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.893 -12.357 9.021 1.00 0.00 H new ATOM 0 HD3 PRO A 34 107.652 -10.842 9.869 1.00 0.00 H new ATOM 815 N ASP A 35 109.743 -12.048 5.884 1.00 0.00 N ATOM 816 CA ASP A 35 110.004 -12.633 4.568 1.00 0.00 C ATOM 817 C ASP A 35 109.687 -11.647 3.447 1.00 0.00 C ATOM 818 O ASP A 35 109.835 -11.964 2.266 1.00 0.00 O ATOM 819 CB ASP A 35 109.183 -13.909 4.373 1.00 0.00 C ATOM 820 CG ASP A 35 109.561 -15.003 5.348 1.00 0.00 C ATOM 821 OD1 ASP A 35 110.558 -15.712 5.097 1.00 0.00 O ATOM 822 OD2 ASP A 35 108.864 -15.157 6.374 1.00 0.00 O ATOM 0 H ASP A 35 108.833 -12.287 6.277 1.00 0.00 H new ATOM 0 HA ASP A 35 111.066 -12.876 4.525 1.00 0.00 H new ATOM 0 HB2 ASP A 35 108.124 -13.676 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 35 109.321 -14.272 3.355 1.00 0.00 H new ATOM 827 N GLY A 36 109.235 -10.457 3.817 1.00 0.00 N ATOM 828 CA GLY A 36 108.931 -9.439 2.833 1.00 0.00 C ATOM 829 C GLY A 36 107.455 -9.384 2.500 1.00 0.00 C ATOM 830 O GLY A 36 106.980 -8.411 1.917 1.00 0.00 O ATOM 0 H GLY A 36 109.073 -10.178 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 36 109.253 -8.467 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 36 109.499 -9.635 1.924 1.00 0.00 H new ATOM 834 N SER A 37 106.728 -10.430 2.869 1.00 0.00 N ATOM 835 CA SER A 37 105.296 -10.500 2.619 1.00 0.00 C ATOM 836 C SER A 37 104.553 -9.490 3.491 1.00 0.00 C ATOM 837 O SER A 37 104.537 -9.607 4.715 1.00 0.00 O ATOM 838 CB SER A 37 104.793 -11.919 2.896 1.00 0.00 C ATOM 839 OG SER A 37 105.575 -12.874 2.193 1.00 0.00 O ATOM 0 H SER A 37 107.110 -11.247 3.346 1.00 0.00 H new ATOM 0 HA SER A 37 105.105 -10.254 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.836 -12.123 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.749 -12.005 2.596 1.00 0.00 H new ATOM 0 HG SER A 37 105.240 -13.775 2.383 1.00 0.00 H new ATOM 845 N ILE A 38 103.951 -8.494 2.861 1.00 0.00 N ATOM 846 CA ILE A 38 103.262 -7.440 3.593 1.00 0.00 C ATOM 847 C ILE A 38 101.805 -7.813 3.849 1.00 0.00 C ATOM 848 O ILE A 38 101.033 -8.020 2.912 1.00 0.00 O ATOM 849 CB ILE A 38 103.308 -6.098 2.830 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.754 -5.732 2.485 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.662 -4.994 3.659 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.879 -4.491 1.627 1.00 0.00 C ATOM 0 H ILE A 38 103.925 -8.392 1.846 1.00 0.00 H new ATOM 0 HA ILE A 38 103.781 -7.326 4.545 1.00 0.00 H new ATOM 0 HB ILE A 38 102.747 -6.206 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.312 -5.582 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.218 -6.571 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.702 -4.054 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.622 -5.252 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.199 -4.885 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.932 -4.294 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.350 -4.644 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.446 -3.640 2.153 1.00 0.00 H new ATOM 864 N ASP A 39 101.434 -7.910 5.117 1.00 0.00 N ATOM 865 CA ASP A 39 100.042 -8.128 5.486 1.00 0.00 C ATOM 866 C ASP A 39 99.347 -6.793 5.675 1.00 0.00 C ATOM 867 O ASP A 39 99.603 -6.079 6.646 1.00 0.00 O ATOM 868 CB ASP A 39 99.914 -8.963 6.766 1.00 0.00 C ATOM 869 CG ASP A 39 100.017 -10.454 6.515 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.379 -10.950 5.559 1.00 0.00 O ATOM 871 OD2 ASP A 39 100.723 -11.140 7.281 1.00 0.00 O ATOM 0 H ASP A 39 102.076 -7.841 5.907 1.00 0.00 H new ATOM 0 HA ASP A 39 99.568 -8.684 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 39 100.693 -8.664 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.957 -8.746 7.241 1.00 0.00 H new ATOM 876 N TYR A 40 98.493 -6.447 4.729 1.00 0.00 N ATOM 877 CA TYR A 40 97.748 -5.204 4.796 1.00 0.00 C ATOM 878 C TYR A 40 96.618 -5.346 5.803 1.00 0.00 C ATOM 879 O TYR A 40 95.819 -6.277 5.719 1.00 0.00 O ATOM 880 CB TYR A 40 97.198 -4.849 3.417 1.00 0.00 C ATOM 881 CG TYR A 40 98.263 -4.769 2.348 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.062 -3.643 2.229 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.474 -5.819 1.462 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.043 -3.562 1.263 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.455 -5.747 0.491 1.00 0.00 C ATOM 886 CZ TYR A 40 100.235 -4.614 0.396 1.00 0.00 C ATOM 887 OH TYR A 40 101.213 -4.531 -0.568 1.00 0.00 O ATOM 0 H TYR A 40 98.298 -7.012 3.902 1.00 0.00 H new ATOM 0 HA TYR A 40 98.409 -4.400 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.458 -5.594 3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.680 -3.892 3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.914 -2.814 2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.861 -6.706 1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.658 -2.677 1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.609 -6.572 -0.188 1.00 0.00 H new ATOM 0 HH TYR A 40 102.095 -4.572 -0.143 1.00 0.00 H new ATOM 897 N ARG A 41 96.556 -4.429 6.757 1.00 0.00 N ATOM 898 CA ARG A 41 95.629 -4.564 7.869 1.00 0.00 C ATOM 899 C ARG A 41 94.686 -3.370 7.937 1.00 0.00 C ATOM 900 O ARG A 41 95.101 -2.220 7.781 1.00 0.00 O ATOM 901 CB ARG A 41 96.406 -4.709 9.180 1.00 0.00 C ATOM 902 CG ARG A 41 97.589 -5.658 9.063 1.00 0.00 C ATOM 903 CD ARG A 41 98.234 -5.952 10.404 1.00 0.00 C ATOM 904 NE ARG A 41 97.457 -6.908 11.190 1.00 0.00 N ATOM 905 CZ ARG A 41 97.729 -8.214 11.247 1.00 0.00 C ATOM 906 NH1 ARG A 41 98.727 -8.719 10.525 1.00 0.00 N ATOM 907 NH2 ARG A 41 97.001 -9.014 12.017 1.00 0.00 N ATOM 0 H ARG A 41 97.133 -3.588 6.783 1.00 0.00 H new ATOM 0 HA ARG A 41 95.027 -5.459 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.763 -3.729 9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.733 -5.069 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 41 97.257 -6.593 8.611 1.00 0.00 H new ATOM 0 HG3 ARG A 41 98.332 -5.226 8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 41 99.238 -6.346 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 41 98.341 -5.024 10.966 1.00 0.00 H new ATOM 0 HE ARG A 41 96.662 -6.558 11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 99.284 -8.108 9.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 98.934 -9.717 10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 41 96.232 -8.631 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 41 97.211 -10.011 12.059 1.00 0.00 H new ATOM 921 N MET A 42 93.416 -3.652 8.163 1.00 0.00 N ATOM 922 CA MET A 42 92.397 -2.618 8.233 1.00 0.00 C ATOM 923 C MET A 42 91.780 -2.585 9.627 1.00 0.00 C ATOM 924 O MET A 42 91.481 -3.630 10.204 1.00 0.00 O ATOM 925 CB MET A 42 91.315 -2.878 7.177 1.00 0.00 C ATOM 926 CG MET A 42 90.190 -1.856 7.172 1.00 0.00 C ATOM 927 SD MET A 42 88.862 -2.287 6.030 1.00 0.00 S ATOM 928 CE MET A 42 89.736 -2.289 4.464 1.00 0.00 C ATOM 0 H MET A 42 93.062 -4.598 8.303 1.00 0.00 H new ATOM 0 HA MET A 42 92.857 -1.650 8.033 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.781 -2.893 6.192 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.891 -3.868 7.344 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.783 -1.766 8.179 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.593 -0.880 6.902 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.152 -1.746 3.721 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.705 -1.806 4.588 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.883 -3.316 4.130 1.00 0.00 H new ATOM 938 N GLY A 43 91.617 -1.390 10.172 1.00 0.00 N ATOM 939 CA GLY A 43 91.002 -1.242 11.475 1.00 0.00 C ATOM 940 C GLY A 43 90.414 0.139 11.650 1.00 0.00 C ATOM 941 O GLY A 43 90.565 0.985 10.779 1.00 0.00 O ATOM 0 H GLY A 43 91.901 -0.515 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 43 90.220 -1.991 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.744 -1.425 12.253 1.00 0.00 H new ATOM 945 N PHE A 44 89.738 0.370 12.756 1.00 0.00 N ATOM 946 CA PHE A 44 89.153 1.673 13.026 1.00 0.00 C ATOM 947 C PHE A 44 89.869 2.342 14.186 1.00 0.00 C ATOM 948 O PHE A 44 90.294 1.671 15.129 1.00 0.00 O ATOM 949 CB PHE A 44 87.662 1.541 13.337 1.00 0.00 C ATOM 950 CG PHE A 44 86.833 1.094 12.168 1.00 0.00 C ATOM 951 CD1 PHE A 44 86.631 -0.253 11.916 1.00 0.00 C ATOM 952 CD2 PHE A 44 86.253 2.025 11.321 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.868 -0.664 10.841 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.488 1.620 10.244 1.00 0.00 C ATOM 955 CZ PHE A 44 85.295 0.274 10.004 1.00 0.00 C ATOM 0 H PHE A 44 89.578 -0.326 13.485 1.00 0.00 H new ATOM 0 HA PHE A 44 89.268 2.291 12.135 1.00 0.00 H new ATOM 0 HB2 PHE A 44 87.533 0.831 14.154 1.00 0.00 H new ATOM 0 HB3 PHE A 44 87.288 2.503 13.688 1.00 0.00 H new ATOM 0 HD1 PHE A 44 87.075 -0.990 12.568 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.401 3.079 11.505 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.719 -1.717 10.655 1.00 0.00 H new ATOM 0 HE2 PHE A 44 85.042 2.355 9.591 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.697 -0.045 9.163 1.00 0.00 H new ATOM 965 N ASP A 45 90.009 3.659 14.114 1.00 0.00 N ATOM 966 CA ASP A 45 90.683 4.414 15.162 1.00 0.00 C ATOM 967 C ASP A 45 90.213 5.869 15.142 1.00 0.00 C ATOM 968 O ASP A 45 89.336 6.228 14.355 1.00 0.00 O ATOM 969 CB ASP A 45 92.206 4.325 14.988 1.00 0.00 C ATOM 970 CG ASP A 45 92.966 4.764 16.224 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.897 4.060 17.252 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.640 5.811 16.172 1.00 0.00 O ATOM 0 H ASP A 45 89.664 4.227 13.340 1.00 0.00 H new ATOM 0 HA ASP A 45 90.429 3.984 16.131 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.480 3.298 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.507 4.944 14.143 1.00 0.00 H new ATOM 977 N ASP A 46 90.790 6.697 16.003 1.00 0.00 N ATOM 978 CA ASP A 46 90.352 8.081 16.158 1.00 0.00 C ATOM 979 C ASP A 46 90.630 8.920 14.919 1.00 0.00 C ATOM 980 O ASP A 46 91.402 8.531 14.040 1.00 0.00 O ATOM 981 CB ASP A 46 91.008 8.722 17.380 1.00 0.00 C ATOM 982 CG ASP A 46 90.382 8.253 18.672 1.00 0.00 C ATOM 983 OD1 ASP A 46 89.280 8.739 19.009 1.00 0.00 O ATOM 984 OD2 ASP A 46 90.978 7.393 19.356 1.00 0.00 O ATOM 0 H ASP A 46 91.567 6.434 16.609 1.00 0.00 H new ATOM 0 HA ASP A 46 89.272 8.054 16.301 1.00 0.00 H new ATOM 0 HB2 ASP A 46 92.072 8.485 17.386 1.00 0.00 H new ATOM 0 HB3 ASP A 46 90.924 9.806 17.309 1.00 0.00 H new ATOM 989 N LEU A 47 89.999 10.080 14.869 1.00 0.00 N ATOM 990 CA LEU A 47 90.085 10.957 13.719 1.00 0.00 C ATOM 991 C LEU A 47 90.896 12.200 14.069 1.00 0.00 C ATOM 992 O LEU A 47 90.491 12.997 14.915 1.00 0.00 O ATOM 993 CB LEU A 47 88.667 11.339 13.271 1.00 0.00 C ATOM 994 CG LEU A 47 88.528 11.936 11.865 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.072 11.901 11.439 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.044 13.369 11.811 1.00 0.00 C ATOM 0 H LEU A 47 89.414 10.438 15.624 1.00 0.00 H new ATOM 0 HA LEU A 47 90.590 10.444 12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.041 10.449 13.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.265 12.056 13.987 1.00 0.00 H new ATOM 0 HG LEU A 47 89.130 11.336 11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 86.975 12.326 10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.720 10.869 11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 47 86.474 12.483 12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 47 88.929 13.759 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 47 88.475 13.987 12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.098 13.387 12.090 1.00 0.00 H new ATOM 1008 N THR A 48 92.039 12.354 13.424 1.00 0.00 N ATOM 1009 CA THR A 48 92.878 13.517 13.639 1.00 0.00 C ATOM 1010 C THR A 48 92.975 14.339 12.359 1.00 0.00 C ATOM 1011 O THR A 48 93.065 13.780 11.264 1.00 0.00 O ATOM 1012 CB THR A 48 94.297 13.106 14.077 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.281 11.773 14.604 1.00 0.00 O ATOM 1014 CG2 THR A 48 94.836 14.064 15.129 1.00 0.00 C ATOM 0 H THR A 48 92.407 11.686 12.746 1.00 0.00 H new ATOM 0 HA THR A 48 92.422 14.112 14.430 1.00 0.00 H new ATOM 0 HB THR A 48 94.948 13.144 13.204 1.00 0.00 H new ATOM 0 HG1 THR A 48 94.616 11.149 13.926 1.00 0.00 H new ATOM 0 HG21 THR A 48 95.839 13.754 15.423 1.00 0.00 H new ATOM 0 HG22 THR A 48 94.874 15.073 14.717 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.182 14.052 16.001 1.00 0.00 H new ATOM 1022 N GLU A 49 92.956 15.661 12.490 1.00 0.00 N ATOM 1023 CA GLU A 49 93.125 16.540 11.338 1.00 0.00 C ATOM 1024 C GLU A 49 94.602 16.622 10.954 1.00 0.00 C ATOM 1025 O GLU A 49 94.968 17.251 9.959 1.00 0.00 O ATOM 1026 CB GLU A 49 92.565 17.938 11.629 1.00 0.00 C ATOM 1027 CG GLU A 49 91.069 17.950 11.911 1.00 0.00 C ATOM 1028 CD GLU A 49 90.502 19.352 12.050 1.00 0.00 C ATOM 1029 OE1 GLU A 49 90.516 19.897 13.177 1.00 0.00 O ATOM 1030 OE2 GLU A 49 90.031 19.910 11.033 1.00 0.00 O ATOM 0 H GLU A 49 92.826 16.146 13.378 1.00 0.00 H new ATOM 0 HA GLU A 49 92.566 16.123 10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 49 93.091 18.360 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 49 92.771 18.587 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 90.549 17.432 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 49 90.873 17.392 12.827 1.00 0.00 H new ATOM 1037 N ASP A 50 95.441 15.976 11.758 1.00 0.00 N ATOM 1038 CA ASP A 50 96.877 15.920 11.508 1.00 0.00 C ATOM 1039 C ASP A 50 97.226 14.726 10.630 1.00 0.00 C ATOM 1040 O ASP A 50 98.302 14.681 10.027 1.00 0.00 O ATOM 1041 CB ASP A 50 97.650 15.816 12.827 1.00 0.00 C ATOM 1042 CG ASP A 50 97.467 17.024 13.721 1.00 0.00 C ATOM 1043 OD1 ASP A 50 96.483 17.058 14.489 1.00 0.00 O ATOM 1044 OD2 ASP A 50 98.318 17.938 13.675 1.00 0.00 O ATOM 0 H ASP A 50 95.146 15.478 12.598 1.00 0.00 H new ATOM 0 HA ASP A 50 97.160 16.838 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.325 14.923 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.711 15.689 12.610 1.00 0.00 H new ATOM 1049 N ASP A 51 96.315 13.761 10.569 1.00 0.00 N ATOM 1050 CA ASP A 51 96.534 12.544 9.792 1.00 0.00 C ATOM 1051 C ASP A 51 96.126 12.755 8.346 1.00 0.00 C ATOM 1052 O ASP A 51 95.396 13.697 8.031 1.00 0.00 O ATOM 1053 CB ASP A 51 95.745 11.366 10.373 1.00 0.00 C ATOM 1054 CG ASP A 51 96.316 10.848 11.676 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.549 10.681 11.763 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.528 10.574 12.610 1.00 0.00 O ATOM 0 H ASP A 51 95.416 13.797 11.049 1.00 0.00 H new ATOM 0 HA ASP A 51 97.598 12.312 9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 51 94.712 11.674 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.727 10.555 9.645 1.00 0.00 H new ATOM 1061 N ILE A 52 96.591 11.877 7.471 1.00 0.00 N ATOM 1062 CA ILE A 52 96.232 11.950 6.066 1.00 0.00 C ATOM 1063 C ILE A 52 94.783 11.522 5.875 1.00 0.00 C ATOM 1064 O ILE A 52 94.436 10.348 6.031 1.00 0.00 O ATOM 1065 CB ILE A 52 97.163 11.085 5.191 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.613 11.549 5.357 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.738 11.153 3.728 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.602 10.783 4.508 1.00 0.00 C ATOM 0 H ILE A 52 97.217 11.107 7.710 1.00 0.00 H new ATOM 0 HA ILE A 52 96.349 12.986 5.747 1.00 0.00 H new ATOM 0 HB ILE A 52 97.089 10.047 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.676 12.608 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 52 98.897 11.453 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.406 10.537 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.717 10.785 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.787 12.186 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.606 11.170 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.569 9.727 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.345 10.900 3.455 1.00 0.00 H new ATOM 1080 N ARG A 53 93.943 12.499 5.566 1.00 0.00 N ATOM 1081 CA ARG A 53 92.513 12.279 5.411 1.00 0.00 C ATOM 1082 C ARG A 53 92.183 11.908 3.971 1.00 0.00 C ATOM 1083 O ARG A 53 92.169 12.765 3.088 1.00 0.00 O ATOM 1084 CB ARG A 53 91.755 13.548 5.808 1.00 0.00 C ATOM 1085 CG ARG A 53 92.061 14.032 7.218 1.00 0.00 C ATOM 1086 CD ARG A 53 91.266 13.269 8.268 1.00 0.00 C ATOM 1087 NE ARG A 53 89.826 13.478 8.107 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.202 14.630 8.368 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.875 15.655 8.881 1.00 0.00 N ATOM 1090 NH2 ARG A 53 87.904 14.747 8.125 1.00 0.00 N ATOM 0 H ARG A 53 94.233 13.465 5.416 1.00 0.00 H new ATOM 0 HA ARG A 53 92.210 11.456 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 53 91.998 14.341 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 53 90.684 13.362 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 53 93.127 13.919 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 53 91.834 15.095 7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 91.491 12.205 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.573 13.591 9.263 1.00 0.00 H new ATOM 0 HE ARG A 53 89.264 12.695 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.872 15.564 9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.395 16.533 9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.384 13.959 7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.425 15.625 8.323 1.00 0.00 H new ATOM 1104 N LEU A 54 91.927 10.633 3.737 1.00 0.00 N ATOM 1105 CA LEU A 54 91.615 10.153 2.398 1.00 0.00 C ATOM 1106 C LEU A 54 90.130 9.850 2.265 1.00 0.00 C ATOM 1107 O LEU A 54 89.656 8.823 2.736 1.00 0.00 O ATOM 1108 CB LEU A 54 92.428 8.898 2.071 1.00 0.00 C ATOM 1109 CG LEU A 54 93.946 9.087 2.042 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.638 7.762 1.769 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.336 10.117 0.993 1.00 0.00 C ATOM 0 H LEU A 54 91.928 9.909 4.456 1.00 0.00 H new ATOM 0 HA LEU A 54 91.878 10.940 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.189 8.129 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.107 8.521 1.100 1.00 0.00 H new ATOM 0 HG LEU A 54 94.268 9.452 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.717 7.912 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.384 7.050 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.310 7.372 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.419 10.238 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.003 9.780 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.866 11.072 1.228 1.00 0.00 H new ATOM 1123 N THR A 55 89.393 10.756 1.651 1.00 0.00 N ATOM 1124 CA THR A 55 87.982 10.528 1.396 1.00 0.00 C ATOM 1125 C THR A 55 87.805 9.889 0.022 1.00 0.00 C ATOM 1126 O THR A 55 87.838 10.571 -1.003 1.00 0.00 O ATOM 1127 CB THR A 55 87.185 11.841 1.479 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.509 12.518 2.703 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.686 11.577 1.426 1.00 0.00 C ATOM 0 H THR A 55 89.746 11.654 1.320 1.00 0.00 H new ATOM 0 HA THR A 55 87.597 9.853 2.161 1.00 0.00 H new ATOM 0 HB THR A 55 87.454 12.462 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.004 13.356 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.148 12.523 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.437 11.077 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.399 10.942 2.264 1.00 0.00 H new ATOM 1137 N SER A 56 87.647 8.575 0.005 1.00 0.00 N ATOM 1138 CA SER A 56 87.571 7.838 -1.244 1.00 0.00 C ATOM 1139 C SER A 56 86.181 7.252 -1.451 1.00 0.00 C ATOM 1140 O SER A 56 85.755 6.367 -0.700 1.00 0.00 O ATOM 1141 CB SER A 56 88.631 6.733 -1.253 1.00 0.00 C ATOM 1142 OG SER A 56 88.613 6.002 -0.036 1.00 0.00 O ATOM 0 H SER A 56 87.569 7.998 0.842 1.00 0.00 H new ATOM 0 HA SER A 56 87.764 8.525 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 56 88.451 6.058 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 56 89.617 7.171 -1.404 1.00 0.00 H new ATOM 0 HG SER A 56 87.685 5.819 0.222 1.00 0.00 H new ATOM 1148 N GLU A 57 85.475 7.788 -2.453 1.00 0.00 N ATOM 1149 CA GLU A 57 84.146 7.314 -2.854 1.00 0.00 C ATOM 1150 C GLU A 57 83.081 7.722 -1.835 1.00 0.00 C ATOM 1151 O GLU A 57 82.104 8.395 -2.168 1.00 0.00 O ATOM 1152 CB GLU A 57 84.150 5.791 -3.052 1.00 0.00 C ATOM 1153 CG GLU A 57 82.891 5.247 -3.707 1.00 0.00 C ATOM 1154 CD GLU A 57 82.690 5.788 -5.107 1.00 0.00 C ATOM 1155 OE1 GLU A 57 83.519 5.483 -5.991 1.00 0.00 O ATOM 1156 OE2 GLU A 57 81.714 6.531 -5.327 1.00 0.00 O ATOM 0 H GLU A 57 85.813 8.570 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 57 83.897 7.785 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 57 85.011 5.517 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 84.279 5.310 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.945 4.159 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 82.026 5.502 -3.094 1.00 0.00 H new ATOM 1163 N GLY A 58 83.294 7.331 -0.595 1.00 0.00 N ATOM 1164 CA GLY A 58 82.335 7.599 0.456 1.00 0.00 C ATOM 1165 C GLY A 58 82.908 7.352 1.837 1.00 0.00 C ATOM 1166 O GLY A 58 82.485 7.971 2.809 1.00 0.00 O ATOM 0 H GLY A 58 84.126 6.825 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.001 8.634 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.457 6.970 0.312 1.00 0.00 H new ATOM 1170 N VAL A 59 83.869 6.440 1.926 1.00 0.00 N ATOM 1171 CA VAL A 59 84.502 6.126 3.195 1.00 0.00 C ATOM 1172 C VAL A 59 85.727 7.009 3.400 1.00 0.00 C ATOM 1173 O VAL A 59 86.510 7.223 2.469 1.00 0.00 O ATOM 1174 CB VAL A 59 84.918 4.637 3.266 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.509 4.298 4.629 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.730 3.736 2.961 1.00 0.00 C ATOM 0 H VAL A 59 84.225 5.907 1.133 1.00 0.00 H new ATOM 0 HA VAL A 59 83.776 6.316 3.985 1.00 0.00 H new ATOM 0 HB VAL A 59 85.687 4.465 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.793 3.246 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.390 4.915 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.768 4.490 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.041 2.693 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.939 3.917 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.357 3.952 1.960 1.00 0.00 H new ATOM 1186 N GLU A 60 85.875 7.533 4.606 1.00 0.00 N ATOM 1187 CA GLU A 60 87.007 8.377 4.938 1.00 0.00 C ATOM 1188 C GLU A 60 88.094 7.550 5.615 1.00 0.00 C ATOM 1189 O GLU A 60 87.823 6.802 6.557 1.00 0.00 O ATOM 1190 CB GLU A 60 86.569 9.522 5.851 1.00 0.00 C ATOM 1191 CG GLU A 60 87.680 10.507 6.168 1.00 0.00 C ATOM 1192 CD GLU A 60 87.241 11.566 7.150 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.230 11.285 8.363 1.00 0.00 O ATOM 1194 OE2 GLU A 60 86.899 12.684 6.716 1.00 0.00 O ATOM 0 H GLU A 60 85.220 7.386 5.374 1.00 0.00 H new ATOM 0 HA GLU A 60 87.408 8.802 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.745 10.057 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.187 9.106 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.535 9.968 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.014 10.984 5.247 1.00 0.00 H new ATOM 1201 N ILE A 61 89.309 7.677 5.111 1.00 0.00 N ATOM 1202 CA ILE A 61 90.443 6.922 5.617 1.00 0.00 C ATOM 1203 C ILE A 61 91.415 7.844 6.353 1.00 0.00 C ATOM 1204 O ILE A 61 91.681 8.957 5.900 1.00 0.00 O ATOM 1205 CB ILE A 61 91.206 6.235 4.461 1.00 0.00 C ATOM 1206 CG1 ILE A 61 90.236 5.596 3.457 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.166 5.191 5.005 1.00 0.00 C ATOM 1208 CD1 ILE A 61 89.399 4.475 4.031 1.00 0.00 C ATOM 0 H ILE A 61 89.538 8.305 4.341 1.00 0.00 H new ATOM 0 HA ILE A 61 90.055 6.167 6.301 1.00 0.00 H new ATOM 0 HB ILE A 61 91.779 7.000 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.572 6.368 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.807 5.212 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.695 4.717 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.886 5.669 5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.607 4.436 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 61 88.742 4.079 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.053 3.681 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 61 88.799 4.856 4.857 1.00 0.00 H new ATOM 1220 N VAL A 62 91.928 7.386 7.487 1.00 0.00 N ATOM 1221 CA VAL A 62 92.981 8.100 8.197 1.00 0.00 C ATOM 1222 C VAL A 62 94.222 7.224 8.315 1.00 0.00 C ATOM 1223 O VAL A 62 94.227 6.208 9.016 1.00 0.00 O ATOM 1224 CB VAL A 62 92.542 8.581 9.601 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.628 9.790 9.487 1.00 0.00 C ATOM 1226 CG2 VAL A 62 91.850 7.466 10.377 1.00 0.00 C ATOM 0 H VAL A 62 91.631 6.520 7.936 1.00 0.00 H new ATOM 0 HA VAL A 62 93.207 8.990 7.610 1.00 0.00 H new ATOM 0 HB VAL A 62 93.438 8.868 10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.329 10.115 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.157 10.600 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.742 9.523 8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.554 7.836 11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 62 90.966 7.137 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.535 6.627 10.497 1.00 0.00 H new ATOM 1236 N ILE A 63 95.271 7.602 7.608 1.00 0.00 N ATOM 1237 CA ILE A 63 96.487 6.806 7.577 1.00 0.00 C ATOM 1238 C ILE A 63 97.667 7.603 8.113 1.00 0.00 C ATOM 1239 O ILE A 63 97.816 8.788 7.815 1.00 0.00 O ATOM 1240 CB ILE A 63 96.797 6.308 6.147 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.588 5.562 5.583 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.025 5.405 6.141 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.760 5.107 4.151 1.00 0.00 C ATOM 0 H ILE A 63 95.307 8.454 7.048 1.00 0.00 H new ATOM 0 HA ILE A 63 96.325 5.938 8.216 1.00 0.00 H new ATOM 0 HB ILE A 63 97.009 7.172 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.386 4.692 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.713 6.209 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.223 5.067 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.886 5.960 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.845 4.542 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.860 4.586 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.930 5.973 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.614 4.433 4.083 1.00 0.00 H new ATOM 1255 N ALA A 64 98.488 6.944 8.920 1.00 0.00 N ATOM 1256 CA ALA A 64 99.676 7.566 9.479 1.00 0.00 C ATOM 1257 C ALA A 64 100.872 7.348 8.552 1.00 0.00 C ATOM 1258 O ALA A 64 100.933 6.338 7.844 1.00 0.00 O ATOM 1259 CB ALA A 64 99.959 7.004 10.866 1.00 0.00 C ATOM 0 H ALA A 64 98.350 5.974 9.202 1.00 0.00 H new ATOM 0 HA ALA A 64 99.504 8.638 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.852 7.477 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.110 7.204 11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.118 5.928 10.797 1.00 0.00 H new ATOM 1265 N PRO A 65 101.844 8.281 8.561 1.00 0.00 N ATOM 1266 CA PRO A 65 103.014 8.255 7.663 1.00 0.00 C ATOM 1267 C PRO A 65 103.766 6.927 7.692 1.00 0.00 C ATOM 1268 O PRO A 65 104.367 6.518 6.696 1.00 0.00 O ATOM 1269 CB PRO A 65 103.913 9.379 8.200 1.00 0.00 C ATOM 1270 CG PRO A 65 103.356 9.726 9.539 1.00 0.00 C ATOM 1271 CD PRO A 65 101.887 9.449 9.450 1.00 0.00 C ATOM 0 HA PRO A 65 102.711 8.383 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.949 9.050 8.279 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.903 10.242 7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.820 9.128 10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 65 103.543 10.772 9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.454 9.233 10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 65 101.338 10.295 9.037 1.00 0.00 H new ATOM 1279 N ASP A 66 103.721 6.257 8.834 1.00 0.00 N ATOM 1280 CA ASP A 66 104.415 4.987 9.014 1.00 0.00 C ATOM 1281 C ASP A 66 103.846 3.908 8.098 1.00 0.00 C ATOM 1282 O ASP A 66 104.553 2.986 7.698 1.00 0.00 O ATOM 1283 CB ASP A 66 104.316 4.533 10.474 1.00 0.00 C ATOM 1284 CG ASP A 66 104.983 5.500 11.430 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.309 6.439 11.902 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.189 5.332 11.707 1.00 0.00 O ATOM 0 H ASP A 66 103.208 6.573 9.657 1.00 0.00 H new ATOM 0 HA ASP A 66 105.462 5.139 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.266 4.424 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.776 3.550 10.577 1.00 0.00 H new ATOM 1291 N TYR A 67 102.574 4.038 7.747 1.00 0.00 N ATOM 1292 CA TYR A 67 101.907 3.030 6.934 1.00 0.00 C ATOM 1293 C TYR A 67 101.801 3.473 5.479 1.00 0.00 C ATOM 1294 O TYR A 67 101.675 2.644 4.578 1.00 0.00 O ATOM 1295 CB TYR A 67 100.512 2.742 7.490 1.00 0.00 C ATOM 1296 CG TYR A 67 100.500 2.422 8.967 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.115 1.277 9.458 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.872 3.268 9.872 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.102 0.985 10.809 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.856 2.983 11.222 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.472 1.840 11.686 1.00 0.00 C ATOM 1302 OH TYR A 67 100.455 1.553 13.031 1.00 0.00 O ATOM 0 H TYR A 67 101.985 4.828 8.011 1.00 0.00 H new ATOM 0 HA TYR A 67 102.507 2.121 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.873 3.607 7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.078 1.905 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.611 0.605 8.774 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.388 4.164 9.513 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.584 0.090 11.175 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.363 3.652 11.912 1.00 0.00 H new ATOM 0 HH TYR A 67 99.971 2.258 13.510 1.00 0.00 H new ATOM 1312 N VAL A 68 101.868 4.782 5.257 1.00 0.00 N ATOM 1313 CA VAL A 68 101.742 5.359 3.914 1.00 0.00 C ATOM 1314 C VAL A 68 102.780 4.781 2.950 1.00 0.00 C ATOM 1315 O VAL A 68 102.531 4.650 1.752 1.00 0.00 O ATOM 1316 CB VAL A 68 101.897 6.897 3.958 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.772 7.505 2.570 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.870 7.507 4.895 1.00 0.00 C ATOM 0 H VAL A 68 102.010 5.472 5.994 1.00 0.00 H new ATOM 0 HA VAL A 68 100.746 5.102 3.553 1.00 0.00 H new ATOM 0 HB VAL A 68 102.895 7.121 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.886 8.587 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.548 7.097 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.792 7.267 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.993 8.590 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.867 7.262 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.011 7.108 5.899 1.00 0.00 H new ATOM 1328 N SER A 69 103.928 4.404 3.491 1.00 0.00 N ATOM 1329 CA SER A 69 105.042 3.934 2.679 1.00 0.00 C ATOM 1330 C SER A 69 104.806 2.505 2.173 1.00 0.00 C ATOM 1331 O SER A 69 105.590 1.984 1.376 1.00 0.00 O ATOM 1332 CB SER A 69 106.337 4.008 3.497 1.00 0.00 C ATOM 1333 OG SER A 69 107.481 3.829 2.681 1.00 0.00 O ATOM 0 H SER A 69 104.114 4.414 4.494 1.00 0.00 H new ATOM 0 HA SER A 69 105.127 4.578 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.396 4.973 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.321 3.244 4.274 1.00 0.00 H new ATOM 0 HG SER A 69 107.287 3.164 1.987 1.00 0.00 H new ATOM 1339 N LEU A 70 103.724 1.876 2.623 1.00 0.00 N ATOM 1340 CA LEU A 70 103.441 0.495 2.244 1.00 0.00 C ATOM 1341 C LEU A 70 101.976 0.305 1.851 1.00 0.00 C ATOM 1342 O LEU A 70 101.497 -0.823 1.768 1.00 0.00 O ATOM 1343 CB LEU A 70 103.782 -0.452 3.400 1.00 0.00 C ATOM 1344 CG LEU A 70 105.260 -0.509 3.801 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.440 -1.380 5.034 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.108 -1.036 2.651 1.00 0.00 C ATOM 0 H LEU A 70 103.034 2.296 3.245 1.00 0.00 H new ATOM 0 HA LEU A 70 104.061 0.262 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.200 -0.155 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.460 -1.457 3.129 1.00 0.00 H new ATOM 0 HG LEU A 70 105.592 0.502 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.495 -1.411 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.864 -0.964 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.091 -2.390 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.154 -1.069 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.776 -2.039 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.002 -0.377 1.789 1.00 0.00 H new ATOM 1358 N LEU A 71 101.266 1.398 1.590 1.00 0.00 N ATOM 1359 CA LEU A 71 99.834 1.303 1.307 1.00 0.00 C ATOM 1360 C LEU A 71 99.424 2.106 0.071 1.00 0.00 C ATOM 1361 O LEU A 71 98.240 2.165 -0.264 1.00 0.00 O ATOM 1362 CB LEU A 71 99.018 1.776 2.515 1.00 0.00 C ATOM 1363 CG LEU A 71 99.052 0.862 3.741 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.326 1.514 4.905 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.423 -0.481 3.418 1.00 0.00 C ATOM 0 H LEU A 71 101.647 2.344 1.568 1.00 0.00 H new ATOM 0 HA LEU A 71 99.625 0.253 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.379 2.761 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.980 1.896 2.204 1.00 0.00 H new ATOM 0 HG LEU A 71 100.092 0.701 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.358 0.852 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.810 2.459 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.288 1.699 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.455 -1.120 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.387 -0.334 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.975 -0.956 2.607 1.00 0.00 H new ATOM 1377 N ASP A 72 100.379 2.714 -0.617 1.00 0.00 N ATOM 1378 CA ASP A 72 100.049 3.526 -1.786 1.00 0.00 C ATOM 1379 C ASP A 72 99.903 2.655 -3.030 1.00 0.00 C ATOM 1380 O ASP A 72 100.435 1.544 -3.083 1.00 0.00 O ATOM 1381 CB ASP A 72 101.097 4.619 -2.019 1.00 0.00 C ATOM 1382 CG ASP A 72 102.466 4.066 -2.357 1.00 0.00 C ATOM 1383 OD1 ASP A 72 103.128 3.533 -1.446 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.888 4.177 -3.530 1.00 0.00 O ATOM 0 H ASP A 72 101.373 2.665 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 72 99.093 4.011 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 72 100.763 5.267 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 72 101.172 5.239 -1.125 1.00 0.00 H new ATOM 1389 N GLN A 73 99.144 3.163 -4.009 1.00 0.00 N ATOM 1390 CA GLN A 73 98.896 2.470 -5.280 1.00 0.00 C ATOM 1391 C GLN A 73 98.007 1.249 -5.067 1.00 0.00 C ATOM 1392 O GLN A 73 97.897 0.381 -5.935 1.00 0.00 O ATOM 1393 CB GLN A 73 100.211 2.050 -5.947 1.00 0.00 C ATOM 1394 CG GLN A 73 101.186 3.196 -6.140 1.00 0.00 C ATOM 1395 CD GLN A 73 102.531 2.741 -6.666 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.628 1.779 -7.433 1.00 0.00 O ATOM 1397 NE2 GLN A 73 103.579 3.410 -6.225 1.00 0.00 N ATOM 0 H GLN A 73 98.683 4.070 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 73 98.382 3.168 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.686 1.278 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 73 99.991 1.604 -6.917 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.756 3.920 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.328 3.710 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 73 103.451 4.199 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 73 104.518 3.138 -6.517 1.00 0.00 H new ATOM 1406 N THR A 74 97.352 1.208 -3.918 1.00 0.00 N ATOM 1407 CA THR A 74 96.571 0.053 -3.526 1.00 0.00 C ATOM 1408 C THR A 74 95.119 0.162 -3.981 1.00 0.00 C ATOM 1409 O THR A 74 94.443 1.162 -3.729 1.00 0.00 O ATOM 1410 CB THR A 74 96.617 -0.138 -2.000 1.00 0.00 C ATOM 1411 OG1 THR A 74 97.979 -0.223 -1.565 1.00 0.00 O ATOM 1412 CG2 THR A 74 95.873 -1.393 -1.585 1.00 0.00 C ATOM 0 H THR A 74 97.348 1.969 -3.238 1.00 0.00 H new ATOM 0 HA THR A 74 97.016 -0.812 -4.017 1.00 0.00 H new ATOM 0 HB THR A 74 96.133 0.720 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.005 -0.343 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 74 95.922 -1.503 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 74 94.831 -1.318 -1.896 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.331 -2.261 -2.059 1.00 0.00 H new ATOM 1420 N THR A 75 94.663 -0.865 -4.677 1.00 0.00 N ATOM 1421 CA THR A 75 93.270 -0.992 -5.058 1.00 0.00 C ATOM 1422 C THR A 75 92.562 -1.929 -4.083 1.00 0.00 C ATOM 1423 O THR A 75 93.005 -3.058 -3.868 1.00 0.00 O ATOM 1424 CB THR A 75 93.148 -1.544 -6.490 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.013 -0.805 -7.361 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.715 -1.451 -6.995 1.00 0.00 C ATOM 0 H THR A 75 95.251 -1.636 -4.994 1.00 0.00 H new ATOM 0 HA THR A 75 92.805 -0.007 -5.026 1.00 0.00 H new ATOM 0 HB THR A 75 93.438 -2.595 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.937 -1.157 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.660 -1.848 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.061 -2.030 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.397 -0.409 -6.996 1.00 0.00 H new ATOM 1434 N LEU A 76 91.486 -1.454 -3.482 1.00 0.00 N ATOM 1435 CA LEU A 76 90.757 -2.237 -2.502 1.00 0.00 C ATOM 1436 C LEU A 76 89.514 -2.855 -3.124 1.00 0.00 C ATOM 1437 O LEU A 76 88.552 -2.151 -3.451 1.00 0.00 O ATOM 1438 CB LEU A 76 90.368 -1.366 -1.304 1.00 0.00 C ATOM 1439 CG LEU A 76 89.614 -2.096 -0.190 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.474 -3.198 0.406 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.180 -1.117 0.890 1.00 0.00 C ATOM 0 H LEU A 76 91.097 -0.527 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 76 91.408 -3.040 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.273 -0.929 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.751 -0.541 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 76 88.723 -2.552 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.920 -3.705 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.736 -3.916 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.384 -2.765 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.645 -1.653 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.058 -0.632 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.525 -0.362 0.455 1.00 0.00 H new ATOM 1453 N ASP A 77 89.551 -4.168 -3.295 1.00 0.00 N ATOM 1454 CA ASP A 77 88.411 -4.913 -3.810 1.00 0.00 C ATOM 1455 C ASP A 77 87.936 -5.929 -2.784 1.00 0.00 C ATOM 1456 O ASP A 77 88.722 -6.409 -1.964 1.00 0.00 O ATOM 1457 CB ASP A 77 88.762 -5.638 -5.114 1.00 0.00 C ATOM 1458 CG ASP A 77 88.645 -4.750 -6.334 1.00 0.00 C ATOM 1459 OD1 ASP A 77 87.509 -4.523 -6.799 1.00 0.00 O ATOM 1460 OD2 ASP A 77 89.687 -4.290 -6.847 1.00 0.00 O ATOM 0 H ASP A 77 90.366 -4.744 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 77 87.615 -4.196 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.780 -6.022 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.104 -6.499 -5.233 1.00 0.00 H new ATOM 1465 N TYR A 78 86.654 -6.251 -2.827 1.00 0.00 N ATOM 1466 CA TYR A 78 86.098 -7.258 -1.942 1.00 0.00 C ATOM 1467 C TYR A 78 85.816 -8.532 -2.735 1.00 0.00 C ATOM 1468 O TYR A 78 84.886 -8.597 -3.536 1.00 0.00 O ATOM 1469 CB TYR A 78 84.832 -6.734 -1.229 1.00 0.00 C ATOM 1470 CG TYR A 78 83.612 -6.556 -2.116 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.632 -5.705 -3.215 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.440 -7.252 -1.850 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.522 -5.557 -4.023 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.325 -7.107 -2.653 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.371 -6.259 -3.737 1.00 0.00 C ATOM 1476 OH TYR A 78 80.261 -6.118 -4.543 1.00 0.00 O ATOM 0 H TYR A 78 85.980 -5.829 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 78 86.824 -7.490 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.577 -7.423 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.067 -5.776 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.531 -5.150 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.399 -7.918 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.556 -4.894 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.422 -7.656 -2.432 1.00 0.00 H new ATOM 0 HH TYR A 78 79.536 -6.683 -4.203 1.00 0.00 H new ATOM 1486 N VAL A 79 86.655 -9.535 -2.548 1.00 0.00 N ATOM 1487 CA VAL A 79 86.511 -10.771 -3.294 1.00 0.00 C ATOM 1488 C VAL A 79 86.108 -11.913 -2.380 1.00 0.00 C ATOM 1489 O VAL A 79 86.522 -11.984 -1.221 1.00 0.00 O ATOM 1490 CB VAL A 79 87.796 -11.151 -4.060 1.00 0.00 C ATOM 1491 CG1 VAL A 79 88.124 -10.103 -5.113 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.964 -11.341 -3.106 1.00 0.00 C ATOM 0 H VAL A 79 87.436 -9.519 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 79 85.723 -10.597 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 79 87.619 -12.100 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 79 89.033 -10.390 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 79 87.300 -10.030 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 79 88.274 -9.137 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.856 -11.608 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 79 89.144 -10.414 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.731 -12.137 -2.399 1.00 0.00 H new ATOM 1502 N GLU A 80 85.294 -12.797 -2.908 1.00 0.00 N ATOM 1503 CA GLU A 80 84.792 -13.923 -2.150 1.00 0.00 C ATOM 1504 C GLU A 80 85.838 -15.033 -2.072 1.00 0.00 C ATOM 1505 O GLU A 80 85.873 -15.927 -2.917 1.00 0.00 O ATOM 1506 CB GLU A 80 83.500 -14.435 -2.794 1.00 0.00 C ATOM 1507 CG GLU A 80 82.921 -15.670 -2.131 1.00 0.00 C ATOM 1508 CD GLU A 80 81.656 -16.147 -2.806 1.00 0.00 C ATOM 1509 OE1 GLU A 80 81.624 -16.196 -4.055 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.681 -16.467 -2.095 1.00 0.00 O ATOM 0 H GLU A 80 84.961 -12.758 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 80 84.577 -13.600 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.755 -13.640 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.694 -14.657 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.662 -16.469 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.711 -15.452 -1.084 1.00 0.00 H new ATOM 1517 N LEU A 81 86.731 -14.944 -1.089 1.00 0.00 N ATOM 1518 CA LEU A 81 87.661 -16.035 -0.823 1.00 0.00 C ATOM 1519 C LEU A 81 86.958 -17.124 -0.022 1.00 0.00 C ATOM 1520 O LEU A 81 87.332 -18.295 -0.075 1.00 0.00 O ATOM 1521 CB LEU A 81 88.898 -15.540 -0.067 1.00 0.00 C ATOM 1522 CG LEU A 81 89.727 -14.465 -0.779 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.007 -14.192 -0.009 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.050 -14.873 -2.207 1.00 0.00 C ATOM 0 H LEU A 81 86.829 -14.138 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 81 87.994 -16.442 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.578 -15.146 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.543 -16.395 0.136 1.00 0.00 H new ATOM 0 HG LEU A 81 89.132 -13.552 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.586 -13.427 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.761 -13.845 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.594 -15.108 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.639 -14.090 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.620 -15.802 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.123 -15.020 -2.762 1.00 0.00 H new ATOM 1536 N GLU A 82 85.930 -16.720 0.716 1.00 0.00 N ATOM 1537 CA GLU A 82 85.100 -17.651 1.467 1.00 0.00 C ATOM 1538 C GLU A 82 83.657 -17.542 0.992 1.00 0.00 C ATOM 1539 O GLU A 82 83.158 -16.437 0.786 1.00 0.00 O ATOM 1540 CB GLU A 82 85.176 -17.359 2.969 1.00 0.00 C ATOM 1541 CG GLU A 82 86.548 -17.602 3.580 1.00 0.00 C ATOM 1542 CD GLU A 82 87.024 -19.032 3.413 1.00 0.00 C ATOM 1543 OE1 GLU A 82 86.182 -19.932 3.220 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.250 -19.264 3.485 1.00 0.00 O ATOM 0 H GLU A 82 85.651 -15.743 0.810 1.00 0.00 H new ATOM 0 HA GLU A 82 85.468 -18.663 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.892 -16.321 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.444 -17.980 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.270 -16.928 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 82 86.516 -17.357 4.642 1.00 0.00 H new ATOM 1551 N PRO A 83 82.971 -18.678 0.811 1.00 0.00 N ATOM 1552 CA PRO A 83 81.600 -18.701 0.289 1.00 0.00 C ATOM 1553 C PRO A 83 80.638 -17.868 1.134 1.00 0.00 C ATOM 1554 O PRO A 83 80.313 -18.230 2.268 1.00 0.00 O ATOM 1555 CB PRO A 83 81.210 -20.186 0.334 1.00 0.00 C ATOM 1556 CG PRO A 83 82.208 -20.833 1.235 1.00 0.00 C ATOM 1557 CD PRO A 83 83.469 -20.030 1.106 1.00 0.00 C ATOM 0 HA PRO A 83 81.546 -18.269 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 83 80.197 -20.314 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.235 -20.629 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 83 81.855 -20.840 2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.376 -21.871 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.057 -20.052 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.108 -20.408 0.308 1.00 0.00 H new ATOM 1565 N GLY A 84 80.203 -16.741 0.583 1.00 0.00 N ATOM 1566 CA GLY A 84 79.282 -15.871 1.288 1.00 0.00 C ATOM 1567 C GLY A 84 79.989 -14.788 2.080 1.00 0.00 C ATOM 1568 O GLY A 84 79.352 -13.853 2.571 1.00 0.00 O ATOM 0 H GLY A 84 80.474 -16.413 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.605 -15.407 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 84 78.670 -16.468 1.964 1.00 0.00 H new ATOM 1572 N GLN A 85 81.304 -14.903 2.200 1.00 0.00 N ATOM 1573 CA GLN A 85 82.088 -13.944 2.961 1.00 0.00 C ATOM 1574 C GLN A 85 83.104 -13.253 2.062 1.00 0.00 C ATOM 1575 O GLN A 85 84.097 -13.853 1.644 1.00 0.00 O ATOM 1576 CB GLN A 85 82.804 -14.635 4.124 1.00 0.00 C ATOM 1577 CG GLN A 85 83.624 -13.685 4.985 1.00 0.00 C ATOM 1578 CD GLN A 85 84.414 -14.405 6.061 1.00 0.00 C ATOM 1579 OE1 GLN A 85 84.006 -15.459 6.552 1.00 0.00 O ATOM 1580 NE2 GLN A 85 85.552 -13.840 6.438 1.00 0.00 N ATOM 0 H GLN A 85 81.851 -15.654 1.778 1.00 0.00 H new ATOM 0 HA GLN A 85 81.408 -13.194 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 85 82.064 -15.133 4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 85 83.460 -15.410 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 85 84.310 -13.125 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 85 82.959 -12.959 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 85 85.855 -12.967 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 85 86.125 -14.278 7.159 1.00 0.00 H new ATOM 1589 N PHE A 86 82.849 -11.993 1.765 1.00 0.00 N ATOM 1590 CA PHE A 86 83.732 -11.224 0.906 1.00 0.00 C ATOM 1591 C PHE A 86 84.914 -10.688 1.693 1.00 0.00 C ATOM 1592 O PHE A 86 84.757 -9.906 2.633 1.00 0.00 O ATOM 1593 CB PHE A 86 82.969 -10.088 0.231 1.00 0.00 C ATOM 1594 CG PHE A 86 81.883 -10.574 -0.684 1.00 0.00 C ATOM 1595 CD1 PHE A 86 82.160 -10.872 -2.008 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.590 -10.746 -0.218 1.00 0.00 C ATOM 1597 CE1 PHE A 86 81.169 -11.333 -2.851 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.595 -11.205 -1.057 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.885 -11.499 -2.374 1.00 0.00 C ATOM 0 H PHE A 86 82.037 -11.479 2.106 1.00 0.00 H new ATOM 0 HA PHE A 86 84.115 -11.885 0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.532 -9.446 0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.669 -9.475 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 86 83.164 -10.742 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.358 -10.519 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 86 81.398 -11.563 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.590 -11.334 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 86 79.107 -11.859 -3.031 1.00 0.00 H new ATOM 1609 N HIS A 87 86.096 -11.120 1.296 1.00 0.00 N ATOM 1610 CA HIS A 87 87.328 -10.730 1.955 1.00 0.00 C ATOM 1611 C HIS A 87 87.992 -9.603 1.172 1.00 0.00 C ATOM 1612 O HIS A 87 88.133 -9.677 -0.048 1.00 0.00 O ATOM 1613 CB HIS A 87 88.256 -11.953 2.072 1.00 0.00 C ATOM 1614 CG HIS A 87 89.659 -11.639 2.507 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.063 -11.605 3.826 1.00 0.00 N ATOM 1616 CD2 HIS A 87 90.758 -11.357 1.775 1.00 0.00 C ATOM 1617 CE1 HIS A 87 91.349 -11.307 3.880 1.00 0.00 C ATOM 1618 NE2 HIS A 87 91.796 -11.152 2.648 1.00 0.00 N ATOM 0 H HIS A 87 86.229 -11.752 0.507 1.00 0.00 H new ATOM 0 HA HIS A 87 87.115 -10.365 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.819 -12.656 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.294 -12.457 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.810 -11.303 0.698 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.936 -11.207 4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 87 92.754 -10.919 2.388 1.00 0.00 H new ATOM 1627 N PHE A 88 88.404 -8.565 1.885 1.00 0.00 N ATOM 1628 CA PHE A 88 89.034 -7.416 1.254 1.00 0.00 C ATOM 1629 C PHE A 88 90.466 -7.745 0.868 1.00 0.00 C ATOM 1630 O PHE A 88 91.249 -8.218 1.691 1.00 0.00 O ATOM 1631 CB PHE A 88 89.034 -6.218 2.210 1.00 0.00 C ATOM 1632 CG PHE A 88 87.666 -5.776 2.635 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.875 -5.011 1.795 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.172 -6.124 3.884 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.616 -4.602 2.187 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.913 -5.716 4.281 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.135 -4.955 3.433 1.00 0.00 C ATOM 0 H PHE A 88 88.313 -8.495 2.899 1.00 0.00 H new ATOM 0 HA PHE A 88 88.466 -7.165 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.614 -6.474 3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.541 -5.382 1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.247 -4.731 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.777 -6.719 4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.008 -4.007 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.538 -5.993 5.255 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.151 -4.636 3.743 1.00 0.00 H new ATOM 1647 N ILE A 89 90.793 -7.516 -0.392 1.00 0.00 N ATOM 1648 CA ILE A 89 92.151 -7.715 -0.870 1.00 0.00 C ATOM 1649 C ILE A 89 92.745 -6.386 -1.305 1.00 0.00 C ATOM 1650 O ILE A 89 92.051 -5.529 -1.861 1.00 0.00 O ATOM 1651 CB ILE A 89 92.226 -8.726 -2.039 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.367 -8.261 -3.221 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.796 -10.106 -1.568 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.573 -9.077 -4.480 1.00 0.00 C ATOM 0 H ILE A 89 90.137 -7.192 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 89 92.726 -8.131 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 89 93.260 -8.783 -2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.316 -8.308 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.593 -7.216 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.853 -10.808 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.455 -10.439 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.771 -10.062 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.933 -8.690 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.616 -9.010 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 89 91.319 -10.119 -4.284 1.00 0.00 H new ATOM 1666 N PHE A 90 94.021 -6.211 -1.028 1.00 0.00 N ATOM 1667 CA PHE A 90 94.715 -4.983 -1.355 1.00 0.00 C ATOM 1668 C PHE A 90 95.638 -5.213 -2.545 1.00 0.00 C ATOM 1669 O PHE A 90 96.727 -5.772 -2.406 1.00 0.00 O ATOM 1670 CB PHE A 90 95.503 -4.483 -0.141 1.00 0.00 C ATOM 1671 CG PHE A 90 94.639 -4.140 1.045 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.167 -5.134 1.890 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.304 -2.824 1.318 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.380 -4.821 2.981 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.517 -2.504 2.407 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.055 -3.505 3.240 1.00 0.00 C ATOM 0 H PHE A 90 94.604 -6.913 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 90 93.986 -4.219 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.222 -5.247 0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.075 -3.601 -0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.418 -6.166 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.663 -2.038 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.019 -5.605 3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.263 -1.473 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.440 -3.258 4.093 1.00 0.00 H new ATOM 1686 N LEU A 91 95.177 -4.801 -3.713 1.00 0.00 N ATOM 1687 CA LEU A 91 95.899 -5.035 -4.954 1.00 0.00 C ATOM 1688 C LEU A 91 96.748 -3.819 -5.305 1.00 0.00 C ATOM 1689 O LEU A 91 96.217 -2.768 -5.666 1.00 0.00 O ATOM 1690 CB LEU A 91 94.890 -5.339 -6.074 1.00 0.00 C ATOM 1691 CG LEU A 91 95.452 -5.965 -7.359 1.00 0.00 C ATOM 1692 CD1 LEU A 91 94.322 -6.567 -8.178 1.00 0.00 C ATOM 1693 CD2 LEU A 91 96.205 -4.939 -8.197 1.00 0.00 C ATOM 0 H LEU A 91 94.297 -4.298 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 91 96.567 -5.888 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.129 -6.009 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.387 -4.409 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 91 96.155 -6.747 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.728 -7.009 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.819 -7.337 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.608 -5.787 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 91 96.589 -5.417 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.530 -4.130 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 91 97.036 -4.536 -7.618 1.00 0.00 H new ATOM 1705 N ASN A 92 98.057 -3.950 -5.180 1.00 0.00 N ATOM 1706 CA ASN A 92 98.959 -2.870 -5.555 1.00 0.00 C ATOM 1707 C ASN A 92 100.203 -3.419 -6.241 1.00 0.00 C ATOM 1708 O ASN A 92 100.610 -4.553 -5.990 1.00 0.00 O ATOM 1709 CB ASN A 92 99.340 -2.005 -4.336 1.00 0.00 C ATOM 1710 CG ASN A 92 100.044 -2.756 -3.212 1.00 0.00 C ATOM 1711 OD1 ASN A 92 100.769 -3.725 -3.433 1.00 0.00 O ATOM 1712 ND2 ASN A 92 99.836 -2.301 -1.987 1.00 0.00 N ATOM 0 H ASN A 92 98.519 -4.787 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 92 98.433 -2.229 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.986 -1.194 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 92 98.435 -1.547 -3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.283 -2.756 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 92 99.229 -1.495 -1.839 1.00 0.00 H new ATOM 1719 N PRO A 93 100.806 -2.629 -7.141 1.00 0.00 N ATOM 1720 CA PRO A 93 102.063 -2.980 -7.801 1.00 0.00 C ATOM 1721 C PRO A 93 103.266 -2.652 -6.922 1.00 0.00 C ATOM 1722 O PRO A 93 104.354 -2.347 -7.417 1.00 0.00 O ATOM 1723 CB PRO A 93 102.067 -2.101 -9.067 1.00 0.00 C ATOM 1724 CG PRO A 93 100.785 -1.324 -9.042 1.00 0.00 C ATOM 1725 CD PRO A 93 100.303 -1.343 -7.622 1.00 0.00 C ATOM 0 HA PRO A 93 102.134 -4.046 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 93 102.927 -1.432 -9.073 1.00 0.00 H new ATOM 0 HB3 PRO A 93 102.133 -2.714 -9.966 1.00 0.00 H new ATOM 0 HG2 PRO A 93 100.945 -0.301 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 93 100.047 -1.771 -9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 93 100.702 -0.509 -7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 93 99.216 -1.282 -7.560 1.00 0.00 H new ATOM 1733 N ARG A 94 103.061 -2.708 -5.615 1.00 0.00 N ATOM 1734 CA ARG A 94 104.114 -2.402 -4.663 1.00 0.00 C ATOM 1735 C ARG A 94 104.604 -3.685 -4.002 1.00 0.00 C ATOM 1736 O ARG A 94 105.769 -3.799 -3.619 1.00 0.00 O ATOM 1737 CB ARG A 94 103.603 -1.410 -3.614 1.00 0.00 C ATOM 1738 CG ARG A 94 104.704 -0.769 -2.787 1.00 0.00 C ATOM 1739 CD ARG A 94 104.171 0.395 -1.964 1.00 0.00 C ATOM 1740 NE ARG A 94 105.243 1.157 -1.325 1.00 0.00 N ATOM 1741 CZ ARG A 94 105.887 2.166 -1.911 1.00 0.00 C ATOM 1742 NH1 ARG A 94 105.572 2.537 -3.145 1.00 0.00 N ATOM 1743 NH2 ARG A 94 106.834 2.821 -1.256 1.00 0.00 N ATOM 0 H ARG A 94 102.170 -2.964 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 94 104.951 -1.942 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 94 103.035 -0.626 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 94 102.913 -1.926 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 94 105.145 -1.514 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 94 105.499 -0.418 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 94 103.591 1.057 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 94 103.492 0.017 -1.200 1.00 0.00 H new ATOM 0 HE ARG A 94 105.514 0.901 -0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 94 104.833 2.049 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 94 106.069 3.310 -3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 94 107.072 2.553 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 94 107.325 3.593 -1.707 1.00 0.00 H new ATOM 1757 N ASP A 95 103.701 -4.650 -3.878 1.00 0.00 N ATOM 1758 CA ASP A 95 104.048 -5.968 -3.362 1.00 0.00 C ATOM 1759 C ASP A 95 104.362 -6.903 -4.527 1.00 0.00 C ATOM 1760 O ASP A 95 103.695 -6.846 -5.562 1.00 0.00 O ATOM 1761 CB ASP A 95 102.893 -6.536 -2.527 1.00 0.00 C ATOM 1762 CG ASP A 95 103.228 -7.873 -1.887 1.00 0.00 C ATOM 1763 OD1 ASP A 95 103.157 -8.908 -2.581 1.00 0.00 O ATOM 1764 OD2 ASP A 95 103.552 -7.901 -0.680 1.00 0.00 O ATOM 0 H ASP A 95 102.718 -4.543 -4.129 1.00 0.00 H new ATOM 0 HA ASP A 95 104.926 -5.880 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 95 102.629 -5.821 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 95 102.015 -6.653 -3.162 1.00 0.00 H new ATOM 1769 N PRO A 96 105.392 -7.759 -4.381 1.00 0.00 N ATOM 1770 CA PRO A 96 105.811 -8.715 -5.423 1.00 0.00 C ATOM 1771 C PRO A 96 104.682 -9.603 -5.967 1.00 0.00 C ATOM 1772 O PRO A 96 104.869 -10.296 -6.969 1.00 0.00 O ATOM 1773 CB PRO A 96 106.861 -9.573 -4.713 1.00 0.00 C ATOM 1774 CG PRO A 96 107.409 -8.691 -3.647 1.00 0.00 C ATOM 1775 CD PRO A 96 106.259 -7.839 -3.190 1.00 0.00 C ATOM 0 HA PRO A 96 106.171 -8.185 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 96 106.417 -10.475 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 96 107.642 -9.894 -5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 96 107.812 -9.279 -2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 96 108.224 -8.076 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 96 105.738 -8.288 -2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 96 106.593 -6.852 -2.870 1.00 0.00 H new ATOM 1783 N THR A 97 103.528 -9.603 -5.307 1.00 0.00 N ATOM 1784 CA THR A 97 102.365 -10.331 -5.804 1.00 0.00 C ATOM 1785 C THR A 97 101.934 -9.786 -7.167 1.00 0.00 C ATOM 1786 O THR A 97 101.579 -10.548 -8.069 1.00 0.00 O ATOM 1787 CB THR A 97 101.182 -10.243 -4.818 1.00 0.00 C ATOM 1788 OG1 THR A 97 101.594 -10.692 -3.523 1.00 0.00 O ATOM 1789 CG2 THR A 97 100.007 -11.087 -5.294 1.00 0.00 C ATOM 0 H THR A 97 103.373 -9.108 -4.429 1.00 0.00 H new ATOM 0 HA THR A 97 102.654 -11.377 -5.906 1.00 0.00 H new ATOM 0 HB THR A 97 100.863 -9.202 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 97 102.328 -10.129 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 97 99.188 -11.006 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 97 99.675 -10.731 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 97 100.316 -12.129 -5.374 1.00 0.00 H new ATOM 1797 N TYR A 98 101.986 -8.468 -7.322 1.00 0.00 N ATOM 1798 CA TYR A 98 101.639 -7.831 -8.585 1.00 0.00 C ATOM 1799 C TYR A 98 102.806 -7.002 -9.092 1.00 0.00 C ATOM 1800 O TYR A 98 103.132 -5.953 -8.540 1.00 0.00 O ATOM 1801 CB TYR A 98 100.380 -6.975 -8.441 1.00 0.00 C ATOM 1802 CG TYR A 98 99.120 -7.802 -8.346 1.00 0.00 C ATOM 1803 CD1 TYR A 98 98.498 -8.272 -9.495 1.00 0.00 C ATOM 1804 CD2 TYR A 98 98.565 -8.132 -7.116 1.00 0.00 C ATOM 1805 CE1 TYR A 98 97.358 -9.044 -9.423 1.00 0.00 C ATOM 1806 CE2 TYR A 98 97.426 -8.911 -7.037 1.00 0.00 C ATOM 1807 CZ TYR A 98 96.826 -9.362 -8.194 1.00 0.00 C ATOM 1808 OH TYR A 98 95.696 -10.144 -8.122 1.00 0.00 O ATOM 0 H TYR A 98 102.266 -7.819 -6.586 1.00 0.00 H new ATOM 0 HA TYR A 98 101.425 -8.610 -9.317 1.00 0.00 H new ATOM 0 HB2 TYR A 98 100.469 -6.352 -7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 98 100.304 -6.302 -9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 98 98.914 -8.029 -10.461 1.00 0.00 H new ATOM 0 HD2 TYR A 98 99.030 -7.775 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 98 96.884 -9.398 -10.327 1.00 0.00 H new ATOM 0 HE2 TYR A 98 97.008 -9.165 -6.074 1.00 0.00 H new ATOM 0 HH TYR A 98 95.450 -10.277 -7.183 1.00 0.00 H new ATOM 1818 N ARG A 99 103.432 -7.490 -10.148 1.00 0.00 N ATOM 1819 CA ARG A 99 104.671 -6.914 -10.640 1.00 0.00 C ATOM 1820 C ARG A 99 104.435 -6.042 -11.866 1.00 0.00 C ATOM 1821 O ARG A 99 103.871 -6.493 -12.865 1.00 0.00 O ATOM 1822 CB ARG A 99 105.647 -8.036 -10.980 1.00 0.00 C ATOM 1823 CG ARG A 99 105.969 -8.929 -9.796 1.00 0.00 C ATOM 1824 CD ARG A 99 106.706 -10.187 -10.220 1.00 0.00 C ATOM 1825 NE ARG A 99 107.970 -9.890 -10.887 1.00 0.00 N ATOM 1826 CZ ARG A 99 109.123 -10.476 -10.576 1.00 0.00 C ATOM 1827 NH1 ARG A 99 109.180 -11.336 -9.567 1.00 0.00 N ATOM 1828 NH2 ARG A 99 110.218 -10.198 -11.268 1.00 0.00 N ATOM 0 H ARG A 99 103.099 -8.291 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 99 105.089 -6.279 -9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 99 105.227 -8.644 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 99 106.571 -7.602 -11.361 1.00 0.00 H new ATOM 0 HG2 ARG A 99 106.576 -8.377 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 99 105.045 -9.204 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.897 -10.806 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 99 106.072 -10.769 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 99 107.969 -9.194 -11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.339 -11.548 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 99 110.064 -11.785 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 99 110.178 -9.534 -12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 99 111.101 -10.648 -11.028 1.00 0.00 H new ATOM 1842 N PRO A 100 104.850 -4.772 -11.795 1.00 0.00 N ATOM 1843 CA PRO A 100 104.801 -3.866 -12.937 1.00 0.00 C ATOM 1844 C PRO A 100 105.964 -4.114 -13.899 1.00 0.00 C ATOM 1845 O PRO A 100 107.030 -4.578 -13.486 1.00 0.00 O ATOM 1846 CB PRO A 100 104.918 -2.487 -12.289 1.00 0.00 C ATOM 1847 CG PRO A 100 105.714 -2.719 -11.049 1.00 0.00 C ATOM 1848 CD PRO A 100 105.387 -4.116 -10.587 1.00 0.00 C ATOM 0 HA PRO A 100 103.899 -3.989 -13.536 1.00 0.00 H new ATOM 0 HB2 PRO A 100 105.415 -1.779 -12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 100 103.936 -2.073 -12.058 1.00 0.00 H new ATOM 0 HG2 PRO A 100 106.781 -2.616 -11.248 1.00 0.00 H new ATOM 0 HG3 PRO A 100 105.460 -1.987 -10.282 1.00 0.00 H new ATOM 0 HD2 PRO A 100 106.272 -4.631 -10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 100 104.657 -4.109 -9.778 1.00 0.00 H new ATOM 1856 N PRO A 101 105.781 -3.805 -15.194 1.00 0.00 N ATOM 1857 CA PRO A 101 106.832 -3.984 -16.205 1.00 0.00 C ATOM 1858 C PRO A 101 108.032 -3.073 -15.953 1.00 0.00 C ATOM 1859 O PRO A 101 109.137 -3.324 -16.438 1.00 0.00 O ATOM 1860 CB PRO A 101 106.137 -3.610 -17.521 1.00 0.00 C ATOM 1861 CG PRO A 101 104.974 -2.769 -17.120 1.00 0.00 C ATOM 1862 CD PRO A 101 104.536 -3.275 -15.777 1.00 0.00 C ATOM 0 HA PRO A 101 107.235 -4.997 -16.200 1.00 0.00 H new ATOM 0 HB2 PRO A 101 106.810 -3.063 -18.181 1.00 0.00 H new ATOM 0 HB3 PRO A 101 105.813 -4.499 -18.062 1.00 0.00 H new ATOM 0 HG2 PRO A 101 105.254 -1.717 -17.067 1.00 0.00 H new ATOM 0 HG3 PRO A 101 104.167 -2.848 -17.848 1.00 0.00 H new ATOM 0 HD2 PRO A 101 104.112 -2.479 -15.165 1.00 0.00 H new ATOM 0 HD3 PRO A 101 103.773 -4.048 -15.867 1.00 0.00 H new ATOM 1870 N SER A 102 107.803 -2.019 -15.184 1.00 0.00 N ATOM 1871 CA SER A 102 108.848 -1.074 -14.832 1.00 0.00 C ATOM 1872 C SER A 102 109.466 -1.423 -13.478 1.00 0.00 C ATOM 1873 O SER A 102 110.338 -0.712 -12.977 1.00 0.00 O ATOM 1874 CB SER A 102 108.259 0.337 -14.805 1.00 0.00 C ATOM 1875 OG SER A 102 107.020 0.348 -14.112 1.00 0.00 O ATOM 0 H SER A 102 106.890 -1.797 -14.788 1.00 0.00 H new ATOM 0 HA SER A 102 109.640 -1.123 -15.579 1.00 0.00 H new ATOM 0 HB2 SER A 102 108.958 1.020 -14.322 1.00 0.00 H new ATOM 0 HB3 SER A 102 108.115 0.696 -15.824 1.00 0.00 H new ATOM 0 HG SER A 102 106.658 1.259 -14.103 1.00 0.00 H new ATOM 1881 N GLY A 103 109.013 -2.528 -12.894 1.00 0.00 N ATOM 1882 CA GLY A 103 109.513 -2.943 -11.599 1.00 0.00 C ATOM 1883 C GLY A 103 110.277 -4.248 -11.677 1.00 0.00 C ATOM 1884 O GLY A 103 110.512 -4.771 -12.770 1.00 0.00 O ATOM 0 H GLY A 103 108.307 -3.144 -13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 103 110.163 -2.166 -11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 103 108.679 -3.052 -10.906 1.00 0.00 H new ATOM 1888 N GLY A 104 110.660 -4.778 -10.528 1.00 0.00 N ATOM 1889 CA GLY A 104 111.415 -6.011 -10.493 1.00 0.00 C ATOM 1890 C GLY A 104 112.667 -5.871 -9.658 1.00 0.00 C ATOM 1891 O GLY A 104 112.661 -5.049 -8.720 1.00 0.00 O ATOM 1892 OXT GLY A 104 113.662 -6.572 -9.936 1.00 0.00 O ATOM 0 H GLY A 104 110.460 -4.374 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 104 110.793 -6.808 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 104 111.684 -6.303 -11.508 1.00 0.00 H new TER 1896 GLY A 104