USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 925 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 40 HIS : no HE2:sc= -9.65! C(o=-16!,f=-21!) USER MOD Set 1.2: A 60 MET CE :methyl -145:sc= -6.62! (180deg=-6.01!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.138 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.876 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0106 X(o=-0.011,f=0.21) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -1.81! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.038) USER MOD Single : A 21 ASN : amide:sc= -4.89! C(o=-4.9!,f=-15!) USER MOD Single : A 22 TYR OH : rot -34:sc= 0.0223 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.257 K(o=-0.26,f=-3.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -71:sc= 0.287 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0.253 K(o=0.25,f=-0.61) USER MOD Single : A 48 SER OG : rot -160:sc= -1.71! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 140:sc= -0.654 USER MOD Single : A 54 SER OG : rot 8:sc= 1.18 USER MOD Single : A 55 SER OG : rot 180:sc= -0.121 USER MOD Single : A 64 ASN : amide:sc= -0.195 K(o=-0.19,f=-2.5!) USER MOD Single : A 70 MET CE :methyl -118:sc= -5.62! (180deg=-8.26!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -122:sc= 0.0634 USER MOD Single : A 76 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-2.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0868 K(o=-0.087,f=-1.3) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0043 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 65:sc= -0.197 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -2.29 USER MOD Single : A 96 ASN :FLIP amide:sc= -2! C(o=-5.5!,f=-2!) USER MOD Single : A 98 SER OG : rot 100:sc= -1.43 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc=-0.00812 (180deg=-0.00812) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.5!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.002 -25.201 -6.542 1.00 0.00 N ATOM 2 CA GLY A 1 11.035 -25.051 -5.468 1.00 0.00 C ATOM 3 C GLY A 1 9.708 -24.504 -5.997 1.00 0.00 C ATOM 4 O GLY A 1 9.606 -24.135 -7.166 1.00 0.00 O ATOM 0 H1 GLY A 1 12.265 -26.203 -6.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.584 -24.868 -7.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.850 -24.639 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.869 -26.015 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.432 -24.379 -4.708 1.00 0.00 H new ATOM 8 N SER A 2 8.724 -24.469 -5.111 1.00 0.00 N ATOM 9 CA SER A 2 7.407 -23.974 -5.474 1.00 0.00 C ATOM 10 C SER A 2 7.456 -22.458 -5.676 1.00 0.00 C ATOM 11 O SER A 2 7.224 -21.696 -4.738 1.00 0.00 O ATOM 12 CB SER A 2 6.370 -24.334 -4.408 1.00 0.00 C ATOM 13 OG SER A 2 5.320 -25.140 -4.936 1.00 0.00 O ATOM 0 H SER A 2 8.812 -24.775 -4.142 1.00 0.00 H new ATOM 0 HA SER A 2 7.108 -24.450 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.859 -24.865 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.950 -23.420 -3.988 1.00 0.00 H new ATOM 0 HG SER A 2 4.679 -25.350 -4.225 1.00 0.00 H new ATOM 19 N SER A 3 7.758 -22.066 -6.905 1.00 0.00 N ATOM 20 CA SER A 3 7.840 -20.655 -7.241 1.00 0.00 C ATOM 21 C SER A 3 6.878 -20.334 -8.387 1.00 0.00 C ATOM 22 O SER A 3 7.101 -20.747 -9.524 1.00 0.00 O ATOM 23 CB SER A 3 9.269 -20.262 -7.622 1.00 0.00 C ATOM 24 OG SER A 3 9.696 -20.899 -8.822 1.00 0.00 O ATOM 0 H SER A 3 7.949 -22.701 -7.680 1.00 0.00 H new ATOM 0 HA SER A 3 7.555 -20.077 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.327 -19.181 -7.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.946 -20.527 -6.810 1.00 0.00 H new ATOM 0 HG SER A 3 8.921 -21.063 -9.399 1.00 0.00 H new ATOM 30 N GLY A 4 5.829 -19.599 -8.047 1.00 0.00 N ATOM 31 CA GLY A 4 4.832 -19.218 -9.033 1.00 0.00 C ATOM 32 C GLY A 4 5.326 -18.050 -9.889 1.00 0.00 C ATOM 33 O GLY A 4 5.858 -18.256 -10.979 1.00 0.00 O ATOM 0 H GLY A 4 5.648 -19.257 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.603 -20.071 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.906 -18.939 -8.530 1.00 0.00 H new ATOM 37 N SER A 5 5.133 -16.849 -9.363 1.00 0.00 N ATOM 38 CA SER A 5 5.553 -15.649 -10.066 1.00 0.00 C ATOM 39 C SER A 5 6.923 -15.197 -9.557 1.00 0.00 C ATOM 40 O SER A 5 7.262 -15.418 -8.395 1.00 0.00 O ATOM 41 CB SER A 5 4.527 -14.526 -9.898 1.00 0.00 C ATOM 42 OG SER A 5 3.335 -14.778 -10.636 1.00 0.00 O ATOM 0 H SER A 5 4.692 -16.682 -8.459 1.00 0.00 H new ATOM 0 HA SER A 5 5.626 -15.882 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.283 -14.413 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.964 -13.583 -10.226 1.00 0.00 H new ATOM 0 HG SER A 5 2.705 -14.040 -10.502 1.00 0.00 H new ATOM 48 N SER A 6 7.674 -14.571 -10.451 1.00 0.00 N ATOM 49 CA SER A 6 9.000 -14.086 -10.107 1.00 0.00 C ATOM 50 C SER A 6 8.892 -12.931 -9.110 1.00 0.00 C ATOM 51 O SER A 6 8.612 -11.797 -9.496 1.00 0.00 O ATOM 52 CB SER A 6 9.765 -13.640 -11.355 1.00 0.00 C ATOM 53 OG SER A 6 10.473 -14.718 -11.960 1.00 0.00 O ATOM 0 H SER A 6 7.390 -14.388 -11.413 1.00 0.00 H new ATOM 0 HA SER A 6 9.555 -14.904 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.067 -13.215 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.467 -12.850 -11.087 1.00 0.00 H new ATOM 0 HG SER A 6 10.947 -14.393 -12.754 1.00 0.00 H new ATOM 59 N GLY A 7 9.119 -13.258 -7.846 1.00 0.00 N ATOM 60 CA GLY A 7 9.051 -12.262 -6.791 1.00 0.00 C ATOM 61 C GLY A 7 7.649 -11.658 -6.697 1.00 0.00 C ATOM 62 O GLY A 7 6.653 -12.376 -6.780 1.00 0.00 O ATOM 0 H GLY A 7 9.350 -14.200 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.319 -12.718 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.778 -11.473 -6.983 1.00 0.00 H new ATOM 66 N GLN A 8 7.614 -10.345 -6.524 1.00 0.00 N ATOM 67 CA GLN A 8 6.350 -9.637 -6.418 1.00 0.00 C ATOM 68 C GLN A 8 6.265 -8.541 -7.482 1.00 0.00 C ATOM 69 O GLN A 8 7.285 -8.002 -7.907 1.00 0.00 O ATOM 70 CB GLN A 8 6.165 -9.054 -5.015 1.00 0.00 C ATOM 71 CG GLN A 8 4.702 -9.140 -4.575 1.00 0.00 C ATOM 72 CD GLN A 8 4.586 -9.128 -3.050 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.982 -8.189 -2.379 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.024 -10.220 -2.541 1.00 0.00 N ATOM 0 H GLN A 8 8.441 -9.753 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 8 5.542 -10.348 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.794 -9.594 -4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.492 -8.014 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.143 -8.302 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.253 -10.051 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.714 -10.970 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.902 -10.308 -1.532 1.00 0.00 H new ATOM 83 N LYS A 9 5.037 -8.244 -7.882 1.00 0.00 N ATOM 84 CA LYS A 9 4.805 -7.222 -8.889 1.00 0.00 C ATOM 85 C LYS A 9 5.344 -5.882 -8.384 1.00 0.00 C ATOM 86 O LYS A 9 4.704 -5.219 -7.568 1.00 0.00 O ATOM 87 CB LYS A 9 3.326 -7.182 -9.280 1.00 0.00 C ATOM 88 CG LYS A 9 3.053 -8.082 -10.487 1.00 0.00 C ATOM 89 CD LYS A 9 2.983 -7.263 -11.777 1.00 0.00 C ATOM 90 CE LYS A 9 4.007 -7.760 -12.799 1.00 0.00 C ATOM 91 NZ LYS A 9 5.101 -6.775 -12.957 1.00 0.00 N ATOM 0 H LYS A 9 4.193 -8.693 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 9 5.347 -7.459 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.715 -7.503 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.035 -6.158 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.839 -8.832 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.115 -8.618 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.981 -7.329 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.167 -6.212 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.416 -8.718 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.519 -7.928 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.788 -7.128 -13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.708 -5.870 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.577 -6.635 -12.043 1.00 0.00 H new ATOM 105 N ASN A 10 6.515 -5.524 -8.889 1.00 0.00 N ATOM 106 CA ASN A 10 7.147 -4.275 -8.499 1.00 0.00 C ATOM 107 C ASN A 10 7.397 -4.284 -6.989 1.00 0.00 C ATOM 108 O ASN A 10 6.739 -5.017 -6.252 1.00 0.00 O ATOM 109 CB ASN A 10 6.250 -3.079 -8.822 1.00 0.00 C ATOM 110 CG ASN A 10 6.213 -2.813 -10.329 1.00 0.00 C ATOM 111 OD1 ASN A 10 7.155 -2.314 -10.921 1.00 0.00 O ATOM 112 ND2 ASN A 10 5.074 -3.174 -10.913 1.00 0.00 N ATOM 0 H ASN A 10 7.043 -6.077 -9.565 1.00 0.00 H new ATOM 0 HA ASN A 10 8.082 -4.184 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.240 -3.268 -8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.616 -2.194 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.950 -3.038 -11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.325 -3.587 -10.358 1.00 0.00 H new ATOM 119 N PRO A 11 8.374 -3.440 -6.563 1.00 0.00 N ATOM 120 CA PRO A 11 8.718 -3.344 -5.154 1.00 0.00 C ATOM 121 C PRO A 11 7.655 -2.560 -4.382 1.00 0.00 C ATOM 122 O PRO A 11 7.261 -2.955 -3.286 1.00 0.00 O ATOM 123 CB PRO A 11 10.083 -2.677 -5.128 1.00 0.00 C ATOM 124 CG PRO A 11 10.246 -2.006 -6.482 1.00 0.00 C ATOM 125 CD PRO A 11 9.173 -2.556 -7.407 1.00 0.00 C ATOM 0 HA PRO A 11 8.754 -4.316 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.146 -1.947 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.872 -3.409 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.150 -0.925 -6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.238 -2.203 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.565 -1.755 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.612 -3.098 -8.245 1.00 0.00 H new ATOM 133 N ASP A 12 7.220 -1.463 -4.985 1.00 0.00 N ATOM 134 CA ASP A 12 6.210 -0.620 -4.367 1.00 0.00 C ATOM 135 C ASP A 12 4.961 -1.455 -4.081 1.00 0.00 C ATOM 136 O ASP A 12 4.615 -2.347 -4.854 1.00 0.00 O ATOM 137 CB ASP A 12 5.809 0.528 -5.295 1.00 0.00 C ATOM 138 CG ASP A 12 5.941 1.927 -4.688 1.00 0.00 C ATOM 139 OD1 ASP A 12 5.011 2.315 -3.949 1.00 0.00 O ATOM 140 OD2 ASP A 12 6.970 2.576 -4.978 1.00 0.00 O ATOM 0 H ASP A 12 7.548 -1.139 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 12 6.628 -0.211 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.423 0.479 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.775 0.379 -5.606 1.00 0.00 H new ATOM 145 N SER A 13 4.317 -1.136 -2.967 1.00 0.00 N ATOM 146 CA SER A 13 3.114 -1.846 -2.569 1.00 0.00 C ATOM 147 C SER A 13 3.421 -3.332 -2.380 1.00 0.00 C ATOM 148 O SER A 13 3.352 -4.110 -3.330 1.00 0.00 O ATOM 149 CB SER A 13 1.999 -1.662 -3.601 1.00 0.00 C ATOM 150 OG SER A 13 0.985 -2.655 -3.474 1.00 0.00 O ATOM 0 H SER A 13 4.606 -0.395 -2.328 1.00 0.00 H new ATOM 0 HA SER A 13 2.769 -1.430 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.555 -0.673 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.423 -1.703 -4.604 1.00 0.00 H new ATOM 0 HG SER A 13 0.291 -2.502 -4.149 1.00 0.00 H new ATOM 156 N TYR A 14 3.754 -3.683 -1.146 1.00 0.00 N ATOM 157 CA TYR A 14 4.073 -5.062 -0.820 1.00 0.00 C ATOM 158 C TYR A 14 2.802 -5.909 -0.720 1.00 0.00 C ATOM 159 O TYR A 14 2.712 -6.973 -1.332 1.00 0.00 O ATOM 160 CB TYR A 14 4.755 -5.025 0.549 1.00 0.00 C ATOM 161 CG TYR A 14 5.670 -6.221 0.821 1.00 0.00 C ATOM 162 CD1 TYR A 14 5.140 -7.494 0.887 1.00 0.00 C ATOM 163 CD2 TYR A 14 7.024 -6.027 1.001 1.00 0.00 C ATOM 164 CE1 TYR A 14 6.002 -8.619 1.143 1.00 0.00 C ATOM 165 CE2 TYR A 14 7.885 -7.152 1.257 1.00 0.00 C ATOM 166 CZ TYR A 14 7.331 -8.393 1.315 1.00 0.00 C ATOM 167 OH TYR A 14 8.145 -9.456 1.557 1.00 0.00 O ATOM 0 H TYR A 14 3.810 -3.035 -0.360 1.00 0.00 H new ATOM 0 HA TYR A 14 4.706 -5.502 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.339 -4.108 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.990 -4.983 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.080 -7.646 0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.438 -5.031 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.601 -9.620 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.947 -7.014 1.400 1.00 0.00 H new ATOM 0 HH TYR A 14 9.069 -9.144 1.658 1.00 0.00 H new ATOM 177 N ASN A 15 1.853 -5.406 0.055 1.00 0.00 N ATOM 178 CA ASN A 15 0.592 -6.104 0.242 1.00 0.00 C ATOM 179 C ASN A 15 -0.400 -5.175 0.945 1.00 0.00 C ATOM 180 O ASN A 15 -0.013 -4.383 1.803 1.00 0.00 O ATOM 181 CB ASN A 15 0.775 -7.347 1.114 1.00 0.00 C ATOM 182 CG ASN A 15 -0.313 -8.384 0.825 1.00 0.00 C ATOM 183 OD1 ASN A 15 -0.446 -8.891 -0.276 1.00 0.00 O ATOM 184 ND2 ASN A 15 -1.080 -8.670 1.873 1.00 0.00 N ATOM 0 H ASN A 15 1.931 -4.524 0.561 1.00 0.00 H new ATOM 0 HA ASN A 15 0.223 -6.403 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.757 -7.784 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.744 -7.065 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.834 -9.351 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.914 -8.209 2.767 1.00 0.00 H new ATOM 191 N GLY A 16 -1.660 -5.302 0.555 1.00 0.00 N ATOM 192 CA GLY A 16 -2.710 -4.484 1.137 1.00 0.00 C ATOM 193 C GLY A 16 -3.512 -3.766 0.049 1.00 0.00 C ATOM 194 O GLY A 16 -3.340 -4.041 -1.137 1.00 0.00 O ATOM 0 H GLY A 16 -1.977 -5.960 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.376 -5.109 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.272 -3.751 1.814 1.00 0.00 H new ATOM 198 N ALA A 17 -4.371 -2.860 0.493 1.00 0.00 N ATOM 199 CA ALA A 17 -5.200 -2.101 -0.428 1.00 0.00 C ATOM 200 C ALA A 17 -4.371 -0.971 -1.041 1.00 0.00 C ATOM 201 O ALA A 17 -3.962 -0.046 -0.341 1.00 0.00 O ATOM 202 CB ALA A 17 -6.438 -1.583 0.308 1.00 0.00 C ATOM 0 H ALA A 17 -4.511 -2.635 1.478 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.547 -2.735 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.060 -1.014 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.008 -2.426 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.129 -0.940 1.132 1.00 0.00 H new ATOM 208 N VAL A 18 -4.147 -1.083 -2.342 1.00 0.00 N ATOM 209 CA VAL A 18 -3.374 -0.082 -3.057 1.00 0.00 C ATOM 210 C VAL A 18 -4.145 0.358 -4.303 1.00 0.00 C ATOM 211 O VAL A 18 -4.836 -0.446 -4.926 1.00 0.00 O ATOM 212 CB VAL A 18 -1.981 -0.628 -3.379 1.00 0.00 C ATOM 213 CG1 VAL A 18 -1.175 0.377 -4.205 1.00 0.00 C ATOM 214 CG2 VAL A 18 -1.233 -1.011 -2.100 1.00 0.00 C ATOM 0 H VAL A 18 -4.487 -1.852 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.227 0.802 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.105 -1.530 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.189 -0.036 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.696 0.579 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.065 1.305 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.246 -1.396 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.125 -0.132 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.794 -1.778 -1.566 1.00 0.00 H new ATOM 224 N ARG A 19 -4.002 1.635 -4.628 1.00 0.00 N ATOM 225 CA ARG A 19 -4.677 2.192 -5.788 1.00 0.00 C ATOM 226 C ARG A 19 -3.678 2.424 -6.923 1.00 0.00 C ATOM 227 O ARG A 19 -3.618 1.644 -7.872 1.00 0.00 O ATOM 228 CB ARG A 19 -5.364 3.515 -5.443 1.00 0.00 C ATOM 229 CG ARG A 19 -6.103 4.082 -6.657 1.00 0.00 C ATOM 230 CD ARG A 19 -7.432 3.356 -6.877 1.00 0.00 C ATOM 231 NE ARG A 19 -8.215 4.043 -7.929 1.00 0.00 N ATOM 232 CZ ARG A 19 -7.972 3.928 -9.242 1.00 0.00 C ATOM 233 NH1 ARG A 19 -6.968 3.152 -9.672 1.00 0.00 N ATOM 234 NH2 ARG A 19 -8.735 4.588 -10.124 1.00 0.00 N ATOM 0 H ARG A 19 -3.429 2.299 -4.108 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.434 1.475 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.067 3.361 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.622 4.234 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.286 5.147 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.479 3.984 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.247 2.321 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.000 3.330 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.988 4.641 -7.636 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.389 2.649 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.783 3.064 -10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.500 5.177 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.551 4.501 -11.123 1.00 0.00 H new ATOM 248 N GLU A 20 -2.918 3.501 -6.788 1.00 0.00 N ATOM 249 CA GLU A 20 -1.924 3.846 -7.790 1.00 0.00 C ATOM 250 C GLU A 20 -1.353 5.238 -7.514 1.00 0.00 C ATOM 251 O GLU A 20 -1.142 6.021 -8.439 1.00 0.00 O ATOM 252 CB GLU A 20 -2.515 3.765 -9.199 1.00 0.00 C ATOM 253 CG GLU A 20 -3.833 4.538 -9.285 1.00 0.00 C ATOM 254 CD GLU A 20 -3.838 5.480 -10.491 1.00 0.00 C ATOM 255 OE1 GLU A 20 -2.859 6.249 -10.614 1.00 0.00 O ATOM 256 OE2 GLU A 20 -4.819 5.411 -11.261 1.00 0.00 O ATOM 0 H GLU A 20 -2.971 4.146 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.111 3.123 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.804 4.170 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.683 2.722 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.665 3.838 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.983 5.112 -8.370 1.00 0.00 H new ATOM 263 N ASN A 21 -1.119 5.504 -6.237 1.00 0.00 N ATOM 264 CA ASN A 21 -0.576 6.789 -5.828 1.00 0.00 C ATOM 265 C ASN A 21 -0.315 6.770 -4.320 1.00 0.00 C ATOM 266 O ASN A 21 0.698 7.291 -3.856 1.00 0.00 O ATOM 267 CB ASN A 21 -1.561 7.922 -6.123 1.00 0.00 C ATOM 268 CG ASN A 21 -3.001 7.481 -5.855 1.00 0.00 C ATOM 269 OD1 ASN A 21 -3.262 6.410 -5.331 1.00 0.00 O ATOM 270 ND2 ASN A 21 -3.918 8.362 -6.243 1.00 0.00 N ATOM 0 H ASN A 21 -1.295 4.852 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 21 0.346 6.959 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.321 8.787 -5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.460 8.235 -7.162 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.909 8.160 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.631 9.240 -6.675 1.00 0.00 H new ATOM 277 N TYR A 22 -1.246 6.164 -3.598 1.00 0.00 N ATOM 278 CA TYR A 22 -1.129 6.070 -2.153 1.00 0.00 C ATOM 279 C TYR A 22 -1.560 4.689 -1.656 1.00 0.00 C ATOM 280 O TYR A 22 -2.633 4.204 -2.014 1.00 0.00 O ATOM 281 CB TYR A 22 -2.081 7.124 -1.584 1.00 0.00 C ATOM 282 CG TYR A 22 -3.537 6.945 -2.017 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.346 6.040 -1.360 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.042 7.689 -3.064 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.717 5.872 -1.767 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.413 7.520 -3.471 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.183 6.620 -2.803 1.00 0.00 C ATOM 288 OH TYR A 22 -7.478 6.461 -3.187 1.00 0.00 O ATOM 0 H TYR A 22 -2.085 5.733 -3.987 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.097 6.226 -1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.030 7.095 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.740 8.112 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.951 5.458 -0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.409 8.398 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.361 5.168 -1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.821 8.095 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.743 5.525 -3.065 1.00 0.00 H new ATOM 298 N THR A 23 -0.703 4.094 -0.840 1.00 0.00 N ATOM 299 CA THR A 23 -0.981 2.778 -0.291 1.00 0.00 C ATOM 300 C THR A 23 -1.755 2.902 1.024 1.00 0.00 C ATOM 301 O THR A 23 -1.596 3.881 1.752 1.00 0.00 O ATOM 302 CB THR A 23 0.348 2.035 -0.145 1.00 0.00 C ATOM 303 OG1 THR A 23 1.261 3.038 0.293 1.00 0.00 O ATOM 304 CG2 THR A 23 0.914 1.579 -1.492 1.00 0.00 C ATOM 0 H THR A 23 0.185 4.500 -0.545 1.00 0.00 H new ATOM 0 HA THR A 23 -1.621 2.199 -0.957 1.00 0.00 H new ATOM 0 HB THR A 23 0.211 1.170 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.149 2.641 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.858 1.057 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.205 0.907 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.083 2.448 -2.128 1.00 0.00 H new ATOM 312 N TRP A 24 -2.576 1.896 1.287 1.00 0.00 N ATOM 313 CA TRP A 24 -3.375 1.880 2.501 1.00 0.00 C ATOM 314 C TRP A 24 -3.695 0.422 2.837 1.00 0.00 C ATOM 315 O TRP A 24 -3.553 -0.459 1.990 1.00 0.00 O ATOM 316 CB TRP A 24 -4.626 2.746 2.345 1.00 0.00 C ATOM 317 CG TRP A 24 -5.698 2.135 1.440 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.692 2.038 0.103 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.940 1.535 1.863 1.00 0.00 C ATOM 320 NE1 TRP A 24 -6.835 1.423 -0.364 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.618 1.107 0.740 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.474 1.359 3.152 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.867 0.476 0.792 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.723 0.728 3.187 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.418 0.291 2.066 1.00 0.00 C ATOM 0 H TRP A 24 -2.705 1.086 0.680 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.822 2.316 3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.056 2.925 3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.336 3.716 1.943 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.893 2.396 -0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.064 1.235 -1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.961 1.685 4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.378 0.150 -0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.179 0.570 4.153 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.379 -0.189 2.177 1.00 0.00 H new ATOM 336 N SER A 25 -4.120 0.213 4.074 1.00 0.00 N ATOM 337 CA SER A 25 -4.461 -1.123 4.532 1.00 0.00 C ATOM 338 C SER A 25 -5.481 -1.041 5.670 1.00 0.00 C ATOM 339 O SER A 25 -5.621 0.000 6.309 1.00 0.00 O ATOM 340 CB SER A 25 -3.215 -1.883 4.990 1.00 0.00 C ATOM 341 OG SER A 25 -2.528 -1.202 6.036 1.00 0.00 O ATOM 0 H SER A 25 -4.236 0.946 4.773 1.00 0.00 H new ATOM 0 HA SER A 25 -4.900 -1.669 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.502 -2.877 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.542 -2.020 4.143 1.00 0.00 H new ATOM 0 HG SER A 25 -1.740 -1.720 6.301 1.00 0.00 H new ATOM 347 N GLN A 26 -6.166 -2.154 5.889 1.00 0.00 N ATOM 348 CA GLN A 26 -7.168 -2.221 6.939 1.00 0.00 C ATOM 349 C GLN A 26 -6.667 -3.086 8.097 1.00 0.00 C ATOM 350 O GLN A 26 -6.276 -4.235 7.895 1.00 0.00 O ATOM 351 CB GLN A 26 -8.497 -2.750 6.396 1.00 0.00 C ATOM 352 CG GLN A 26 -8.287 -4.029 5.583 1.00 0.00 C ATOM 353 CD GLN A 26 -8.446 -3.760 4.086 1.00 0.00 C ATOM 354 OE1 GLN A 26 -9.440 -3.221 3.627 1.00 0.00 O ATOM 355 NE2 GLN A 26 -7.414 -4.165 3.351 1.00 0.00 N ATOM 0 H GLN A 26 -6.047 -3.016 5.357 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.341 -1.212 7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.179 -2.948 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.967 -1.991 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.293 -4.430 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.005 -4.786 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.612 -4.610 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.424 -4.031 2.340 1.00 0.00 H new ATOM 364 N ASP A 27 -6.693 -2.501 9.286 1.00 0.00 N ATOM 365 CA ASP A 27 -6.246 -3.205 10.476 1.00 0.00 C ATOM 366 C ASP A 27 -7.463 -3.616 11.307 1.00 0.00 C ATOM 367 O ASP A 27 -8.601 -3.361 10.917 1.00 0.00 O ATOM 368 CB ASP A 27 -5.361 -2.309 11.345 1.00 0.00 C ATOM 369 CG ASP A 27 -4.318 -1.492 10.579 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.699 -0.413 10.078 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.163 -1.966 10.512 1.00 0.00 O ATOM 0 H ASP A 27 -7.017 -1.548 9.450 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.675 -4.077 10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.000 -1.624 11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.847 -2.932 12.077 1.00 0.00 H new ATOM 376 N TYR A 28 -7.181 -4.245 12.439 1.00 0.00 N ATOM 377 CA TYR A 28 -8.238 -4.694 13.329 1.00 0.00 C ATOM 378 C TYR A 28 -9.377 -3.673 13.387 1.00 0.00 C ATOM 379 O TYR A 28 -10.523 -3.998 13.080 1.00 0.00 O ATOM 380 CB TYR A 28 -7.602 -4.809 14.715 1.00 0.00 C ATOM 381 CG TYR A 28 -8.211 -5.907 15.590 1.00 0.00 C ATOM 382 CD1 TYR A 28 -7.813 -7.218 15.428 1.00 0.00 C ATOM 383 CD2 TYR A 28 -9.158 -5.585 16.541 1.00 0.00 C ATOM 384 CE1 TYR A 28 -8.386 -8.251 16.252 1.00 0.00 C ATOM 385 CE2 TYR A 28 -9.731 -6.618 17.365 1.00 0.00 C ATOM 386 CZ TYR A 28 -9.317 -7.900 17.179 1.00 0.00 C ATOM 387 OH TYR A 28 -9.858 -8.876 17.957 1.00 0.00 O ATOM 0 H TYR A 28 -6.236 -4.454 12.760 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.657 -5.638 12.981 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.535 -5.001 14.599 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.700 -3.853 15.229 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.072 -7.470 14.684 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.469 -4.559 16.667 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.083 -9.281 16.136 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.472 -6.380 18.113 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.507 -8.480 18.575 1.00 0.00 H new ATOM 397 N THR A 29 -9.021 -2.460 13.782 1.00 0.00 N ATOM 398 CA THR A 29 -9.999 -1.390 13.884 1.00 0.00 C ATOM 399 C THR A 29 -9.329 -0.032 13.659 1.00 0.00 C ATOM 400 O THR A 29 -9.185 0.756 14.592 1.00 0.00 O ATOM 401 CB THR A 29 -10.689 -1.508 15.244 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.445 -0.305 15.356 1.00 0.00 O ATOM 403 CG2 THR A 29 -9.702 -1.436 16.411 1.00 0.00 C ATOM 0 H THR A 29 -8.069 -2.194 14.035 1.00 0.00 H new ATOM 0 HA THR A 29 -10.760 -1.475 13.108 1.00 0.00 H new ATOM 0 HB THR A 29 -11.238 -2.448 15.290 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.837 0.453 15.486 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.244 -1.525 17.352 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.982 -2.250 16.329 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.176 -0.482 16.384 1.00 0.00 H new ATOM 411 N ASP A 30 -8.937 0.199 12.415 1.00 0.00 N ATOM 412 CA ASP A 30 -8.286 1.447 12.055 1.00 0.00 C ATOM 413 C ASP A 30 -7.632 1.298 10.680 1.00 0.00 C ATOM 414 O ASP A 30 -7.219 0.203 10.300 1.00 0.00 O ATOM 415 CB ASP A 30 -7.193 1.808 13.062 1.00 0.00 C ATOM 416 CG ASP A 30 -6.283 0.649 13.473 1.00 0.00 C ATOM 417 OD1 ASP A 30 -6.792 -0.252 14.174 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.098 0.689 13.076 1.00 0.00 O ATOM 0 H ASP A 30 -9.058 -0.457 11.643 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.042 2.232 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.577 2.601 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.664 2.215 13.957 1.00 0.00 H new ATOM 423 N LEU A 31 -7.557 2.415 9.971 1.00 0.00 N ATOM 424 CA LEU A 31 -6.960 2.422 8.647 1.00 0.00 C ATOM 425 C LEU A 31 -5.546 2.999 8.733 1.00 0.00 C ATOM 426 O LEU A 31 -5.237 3.762 9.647 1.00 0.00 O ATOM 427 CB LEU A 31 -7.864 3.156 7.655 1.00 0.00 C ATOM 428 CG LEU A 31 -9.342 2.759 7.673 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.217 3.924 8.139 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.782 2.221 6.310 1.00 0.00 C ATOM 0 H LEU A 31 -7.900 3.321 10.289 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.867 1.405 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.793 4.226 7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.476 2.991 6.650 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.470 1.952 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.262 3.615 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.923 4.220 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.090 4.768 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.836 1.946 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.636 2.990 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.188 1.343 6.056 1.00 0.00 H new ATOM 442 N GLU A 32 -4.723 2.612 7.769 1.00 0.00 N ATOM 443 CA GLU A 32 -3.349 3.081 7.724 1.00 0.00 C ATOM 444 C GLU A 32 -2.918 3.325 6.276 1.00 0.00 C ATOM 445 O GLU A 32 -2.707 2.379 5.520 1.00 0.00 O ATOM 446 CB GLU A 32 -2.409 2.093 8.417 1.00 0.00 C ATOM 447 CG GLU A 32 -1.629 2.775 9.543 1.00 0.00 C ATOM 448 CD GLU A 32 -0.700 1.782 10.245 1.00 0.00 C ATOM 449 OE1 GLU A 32 -1.236 0.924 10.979 1.00 0.00 O ATOM 450 OE2 GLU A 32 0.526 1.904 10.032 1.00 0.00 O ATOM 0 H GLU A 32 -4.982 1.978 7.013 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.291 4.026 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.985 1.260 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.713 1.676 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.045 3.601 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.325 3.201 10.266 1.00 0.00 H new ATOM 457 N VAL A 33 -2.800 4.600 5.934 1.00 0.00 N ATOM 458 CA VAL A 33 -2.398 4.980 4.591 1.00 0.00 C ATOM 459 C VAL A 33 -1.122 5.822 4.664 1.00 0.00 C ATOM 460 O VAL A 33 -1.108 6.882 5.288 1.00 0.00 O ATOM 461 CB VAL A 33 -3.549 5.699 3.884 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.307 6.607 4.855 1.00 0.00 C ATOM 463 CG2 VAL A 33 -3.042 6.490 2.676 1.00 0.00 C ATOM 0 H VAL A 33 -2.976 5.383 6.564 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.170 4.096 3.996 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.244 4.942 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.120 7.106 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.716 6.008 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.626 7.354 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.880 6.991 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.316 7.233 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.568 5.810 1.968 1.00 0.00 H new ATOM 473 N ARG A 34 -0.081 5.318 4.018 1.00 0.00 N ATOM 474 CA ARG A 34 1.196 6.010 4.001 1.00 0.00 C ATOM 475 C ARG A 34 1.464 6.598 2.614 1.00 0.00 C ATOM 476 O ARG A 34 1.470 5.874 1.620 1.00 0.00 O ATOM 477 CB ARG A 34 2.340 5.065 4.377 1.00 0.00 C ATOM 478 CG ARG A 34 2.345 4.782 5.880 1.00 0.00 C ATOM 479 CD ARG A 34 3.017 3.441 6.183 1.00 0.00 C ATOM 480 NE ARG A 34 2.817 3.084 7.605 1.00 0.00 N ATOM 481 CZ ARG A 34 3.401 2.039 8.207 1.00 0.00 C ATOM 482 NH1 ARG A 34 4.223 1.240 7.513 1.00 0.00 N ATOM 483 NH2 ARG A 34 3.161 1.791 9.502 1.00 0.00 N ATOM 0 H ARG A 34 -0.096 4.438 3.502 1.00 0.00 H new ATOM 0 HA ARG A 34 1.147 6.813 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.239 4.129 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.292 5.506 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.869 5.582 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.322 4.773 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.601 2.663 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.082 3.501 5.961 1.00 0.00 H new ATOM 0 HE ARG A 34 2.195 3.670 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.404 1.427 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.668 0.444 7.971 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.534 2.398 10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.606 0.995 9.960 1.00 0.00 H new ATOM 497 N VAL A 35 1.679 7.905 2.592 1.00 0.00 N ATOM 498 CA VAL A 35 1.946 8.598 1.343 1.00 0.00 C ATOM 499 C VAL A 35 3.449 8.860 1.222 1.00 0.00 C ATOM 500 O VAL A 35 4.068 9.385 2.146 1.00 0.00 O ATOM 501 CB VAL A 35 1.109 9.876 1.264 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.319 10.588 -0.074 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.373 9.576 1.498 1.00 0.00 C ATOM 0 H VAL A 35 1.674 8.502 3.419 1.00 0.00 H new ATOM 0 HA VAL A 35 1.653 7.981 0.494 1.00 0.00 H new ATOM 0 HB VAL A 35 1.445 10.545 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.712 11.493 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.371 10.852 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.024 9.927 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.946 10.501 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.727 8.879 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.503 9.134 2.486 1.00 0.00 H new ATOM 513 N PRO A 36 4.007 8.472 0.044 1.00 0.00 N ATOM 514 CA PRO A 36 5.425 8.660 -0.210 1.00 0.00 C ATOM 515 C PRO A 36 5.740 10.128 -0.504 1.00 0.00 C ATOM 516 O PRO A 36 5.012 10.786 -1.245 1.00 0.00 O ATOM 517 CB PRO A 36 5.741 7.739 -1.378 1.00 0.00 C ATOM 518 CG PRO A 36 4.405 7.423 -2.032 1.00 0.00 C ATOM 519 CD PRO A 36 3.305 7.848 -1.074 1.00 0.00 C ATOM 0 HA PRO A 36 6.043 8.413 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.417 8.221 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.233 6.829 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.310 7.951 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.330 6.358 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.615 8.547 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.716 6.993 -0.744 1.00 0.00 H new ATOM 527 N VAL A 37 6.826 10.597 0.092 1.00 0.00 N ATOM 528 CA VAL A 37 7.247 11.975 -0.097 1.00 0.00 C ATOM 529 C VAL A 37 8.662 11.997 -0.678 1.00 0.00 C ATOM 530 O VAL A 37 9.401 11.021 -0.560 1.00 0.00 O ATOM 531 CB VAL A 37 7.130 12.743 1.221 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.691 12.728 1.739 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.096 12.185 2.268 1.00 0.00 C ATOM 0 H VAL A 37 7.427 10.048 0.706 1.00 0.00 H new ATOM 0 HA VAL A 37 6.595 12.479 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 37 7.406 13.780 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.636 13.281 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.035 13.194 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.375 11.698 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.993 12.749 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.865 11.136 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.119 12.272 1.902 1.00 0.00 H new ATOM 543 N PRO A 38 9.006 13.151 -1.311 1.00 0.00 N ATOM 544 CA PRO A 38 10.319 13.313 -1.911 1.00 0.00 C ATOM 545 C PRO A 38 11.387 13.541 -0.840 1.00 0.00 C ATOM 546 O PRO A 38 11.071 13.643 0.345 1.00 0.00 O ATOM 547 CB PRO A 38 10.173 14.487 -2.865 1.00 0.00 C ATOM 548 CG PRO A 38 8.923 15.230 -2.424 1.00 0.00 C ATOM 549 CD PRO A 38 8.156 14.328 -1.471 1.00 0.00 C ATOM 0 HA PRO A 38 10.651 12.422 -2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.048 15.136 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.080 14.144 -3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.189 16.166 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.307 15.486 -3.286 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.978 14.821 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.181 14.060 -1.878 1.00 0.00 H new ATOM 557 N LYS A 39 12.629 13.615 -1.295 1.00 0.00 N ATOM 558 CA LYS A 39 13.746 13.830 -0.390 1.00 0.00 C ATOM 559 C LYS A 39 13.889 15.327 -0.110 1.00 0.00 C ATOM 560 O LYS A 39 14.857 15.755 0.516 1.00 0.00 O ATOM 561 CB LYS A 39 15.017 13.183 -0.945 1.00 0.00 C ATOM 562 CG LYS A 39 14.735 11.768 -1.453 1.00 0.00 C ATOM 563 CD LYS A 39 14.904 10.739 -0.332 1.00 0.00 C ATOM 564 CE LYS A 39 16.211 9.961 -0.495 1.00 0.00 C ATOM 565 NZ LYS A 39 16.564 9.271 0.766 1.00 0.00 N ATOM 0 H LYS A 39 12.887 13.530 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 39 13.560 13.343 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.415 13.792 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.781 13.149 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.721 11.716 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.411 11.531 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.895 11.244 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.062 10.047 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.109 9.232 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.013 10.642 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.454 8.748 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.681 9.973 1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.806 8.607 1.022 1.00 0.00 H new ATOM 579 N HIS A 40 12.912 16.083 -0.589 1.00 0.00 N ATOM 580 CA HIS A 40 12.917 17.523 -0.398 1.00 0.00 C ATOM 581 C HIS A 40 11.869 17.906 0.648 1.00 0.00 C ATOM 582 O HIS A 40 11.763 19.071 1.028 1.00 0.00 O ATOM 583 CB HIS A 40 12.717 18.248 -1.730 1.00 0.00 C ATOM 584 CG HIS A 40 11.287 18.258 -2.216 1.00 0.00 C ATOM 585 ND1 HIS A 40 10.897 17.677 -3.410 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.160 18.782 -1.657 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.592 17.851 -3.553 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.136 18.537 -2.465 1.00 0.00 N ATOM 0 H HIS A 40 12.111 15.725 -1.109 1.00 0.00 H new ATOM 0 HA HIS A 40 13.889 17.840 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.062 19.277 -1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.344 17.776 -2.487 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.510 17.196 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.109 19.308 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.994 17.510 -4.385 1.00 0.00 H new ATOM 596 N VAL A 41 11.121 16.903 1.085 1.00 0.00 N ATOM 597 CA VAL A 41 10.085 17.120 2.080 1.00 0.00 C ATOM 598 C VAL A 41 10.586 16.644 3.444 1.00 0.00 C ATOM 599 O VAL A 41 10.728 15.443 3.673 1.00 0.00 O ATOM 600 CB VAL A 41 8.789 16.432 1.645 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.813 16.310 2.817 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.145 17.168 0.469 1.00 0.00 C ATOM 0 H VAL A 41 11.212 15.938 0.768 1.00 0.00 H new ATOM 0 HA VAL A 41 9.859 18.182 2.170 1.00 0.00 H new ATOM 0 HB VAL A 41 9.040 15.425 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.900 15.818 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.271 15.722 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.571 17.304 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.226 16.658 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.915 18.192 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.835 17.179 -0.375 1.00 0.00 H new ATOM 612 N VAL A 42 10.841 17.609 4.316 1.00 0.00 N ATOM 613 CA VAL A 42 11.323 17.303 5.652 1.00 0.00 C ATOM 614 C VAL A 42 10.594 18.184 6.667 1.00 0.00 C ATOM 615 O VAL A 42 11.065 18.366 7.789 1.00 0.00 O ATOM 616 CB VAL A 42 12.844 17.460 5.707 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.535 16.430 4.810 1.00 0.00 C ATOM 618 CG2 VAL A 42 13.263 18.883 5.332 1.00 0.00 C ATOM 0 H VAL A 42 10.723 18.604 4.123 1.00 0.00 H new ATOM 0 HA VAL A 42 11.107 16.266 5.908 1.00 0.00 H new ATOM 0 HB VAL A 42 13.162 17.277 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.615 16.564 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.275 15.425 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.207 16.567 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.349 18.967 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.925 19.107 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 42 12.814 19.590 6.029 1.00 0.00 H new ATOM 628 N LYS A 43 9.455 18.708 6.238 1.00 0.00 N ATOM 629 CA LYS A 43 8.656 19.566 7.096 1.00 0.00 C ATOM 630 C LYS A 43 7.172 19.290 6.847 1.00 0.00 C ATOM 631 O LYS A 43 6.775 18.976 5.725 1.00 0.00 O ATOM 632 CB LYS A 43 9.049 21.032 6.903 1.00 0.00 C ATOM 633 CG LYS A 43 10.243 21.400 7.786 1.00 0.00 C ATOM 634 CD LYS A 43 10.700 22.836 7.520 1.00 0.00 C ATOM 635 CE LYS A 43 11.643 22.896 6.316 1.00 0.00 C ATOM 636 NZ LYS A 43 12.431 24.149 6.338 1.00 0.00 N ATOM 0 H LYS A 43 9.067 18.555 5.307 1.00 0.00 H new ATOM 0 HA LYS A 43 8.851 19.343 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.297 21.211 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.202 21.674 7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.971 21.290 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.066 20.711 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.832 23.470 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.205 23.230 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.314 22.037 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.067 22.837 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.066 24.174 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.787 24.965 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.995 24.189 7.211 1.00 0.00 H new ATOM 650 N GLY A 44 6.392 19.416 7.910 1.00 0.00 N ATOM 651 CA GLY A 44 4.961 19.184 7.821 1.00 0.00 C ATOM 652 C GLY A 44 4.273 20.297 7.027 1.00 0.00 C ATOM 653 O GLY A 44 3.214 20.081 6.439 1.00 0.00 O ATOM 0 H GLY A 44 6.725 19.676 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.774 18.222 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.535 19.130 8.823 1.00 0.00 H new ATOM 657 N LYS A 45 4.904 21.462 7.034 1.00 0.00 N ATOM 658 CA LYS A 45 4.366 22.608 6.322 1.00 0.00 C ATOM 659 C LYS A 45 4.555 22.404 4.818 1.00 0.00 C ATOM 660 O LYS A 45 3.945 23.103 4.011 1.00 0.00 O ATOM 661 CB LYS A 45 4.985 23.905 6.849 1.00 0.00 C ATOM 662 CG LYS A 45 6.429 24.058 6.368 1.00 0.00 C ATOM 663 CD LYS A 45 6.693 25.480 5.870 1.00 0.00 C ATOM 664 CE LYS A 45 8.096 25.947 6.262 1.00 0.00 C ATOM 665 NZ LYS A 45 8.020 27.129 7.150 1.00 0.00 N ATOM 0 H LYS A 45 5.783 21.637 7.522 1.00 0.00 H new ATOM 0 HA LYS A 45 3.294 22.698 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.394 24.757 6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.959 23.908 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.114 23.821 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.627 23.346 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.584 25.516 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.950 26.159 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.627 25.139 6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.667 26.193 5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.981 27.433 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.532 27.903 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.493 26.882 8.012 1.00 0.00 H new ATOM 679 N GLN A 46 5.403 21.441 4.486 1.00 0.00 N ATOM 680 CA GLN A 46 5.681 21.136 3.093 1.00 0.00 C ATOM 681 C GLN A 46 4.584 20.236 2.519 1.00 0.00 C ATOM 682 O GLN A 46 4.679 19.787 1.377 1.00 0.00 O ATOM 683 CB GLN A 46 7.058 20.488 2.937 1.00 0.00 C ATOM 684 CG GLN A 46 8.169 21.538 3.015 1.00 0.00 C ATOM 685 CD GLN A 46 9.293 21.220 2.027 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.238 21.556 0.855 1.00 0.00 O ATOM 687 NE2 GLN A 46 10.313 20.557 2.563 1.00 0.00 N ATOM 0 H GLN A 46 5.906 20.862 5.158 1.00 0.00 H new ATOM 0 HA GLN A 46 5.690 22.070 2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.203 19.741 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.112 19.966 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.758 22.524 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.570 21.574 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.295 20.306 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.113 20.299 1.986 1.00 0.00 H new ATOM 696 N VAL A 47 3.569 20.000 3.336 1.00 0.00 N ATOM 697 CA VAL A 47 2.455 19.162 2.923 1.00 0.00 C ATOM 698 C VAL A 47 1.148 19.772 3.432 1.00 0.00 C ATOM 699 O VAL A 47 1.164 20.696 4.243 1.00 0.00 O ATOM 700 CB VAL A 47 2.673 17.727 3.406 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.461 16.915 2.376 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.369 17.707 4.769 1.00 0.00 C ATOM 0 H VAL A 47 3.494 20.374 4.282 1.00 0.00 H new ATOM 0 HA VAL A 47 2.392 19.119 1.836 1.00 0.00 H new ATOM 0 HB VAL A 47 1.695 17.261 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.602 15.899 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.910 16.887 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.433 17.380 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.512 16.675 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.338 18.200 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.753 18.232 5.500 1.00 0.00 H new ATOM 712 N SER A 48 0.046 19.230 2.934 1.00 0.00 N ATOM 713 CA SER A 48 -1.268 19.709 3.328 1.00 0.00 C ATOM 714 C SER A 48 -2.145 18.533 3.762 1.00 0.00 C ATOM 715 O SER A 48 -2.306 17.566 3.020 1.00 0.00 O ATOM 716 CB SER A 48 -1.938 20.479 2.188 1.00 0.00 C ATOM 717 OG SER A 48 -1.203 20.378 0.971 1.00 0.00 O ATOM 0 H SER A 48 0.036 18.464 2.261 1.00 0.00 H new ATOM 0 HA SER A 48 -1.145 20.392 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.947 20.095 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.035 21.528 2.467 1.00 0.00 H new ATOM 0 HG SER A 48 -1.462 21.108 0.371 1.00 0.00 H new ATOM 723 N VAL A 49 -2.690 18.655 4.964 1.00 0.00 N ATOM 724 CA VAL A 49 -3.547 17.614 5.506 1.00 0.00 C ATOM 725 C VAL A 49 -4.883 18.229 5.930 1.00 0.00 C ATOM 726 O VAL A 49 -4.910 19.249 6.618 1.00 0.00 O ATOM 727 CB VAL A 49 -2.832 16.890 6.649 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.792 15.961 7.394 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.614 16.122 6.133 1.00 0.00 C ATOM 0 H VAL A 49 -2.555 19.459 5.577 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.762 16.862 4.747 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.479 17.642 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.259 15.459 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.614 16.544 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.188 15.217 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.124 15.616 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.934 15.384 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.915 16.818 5.668 1.00 0.00 H new ATOM 739 N ALA A 50 -5.957 17.583 5.503 1.00 0.00 N ATOM 740 CA ALA A 50 -7.293 18.053 5.831 1.00 0.00 C ATOM 741 C ALA A 50 -8.109 16.895 6.407 1.00 0.00 C ATOM 742 O ALA A 50 -8.452 15.956 5.691 1.00 0.00 O ATOM 743 CB ALA A 50 -7.940 18.659 4.584 1.00 0.00 C ATOM 0 H ALA A 50 -5.930 16.738 4.933 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.250 18.835 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.942 19.012 4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.337 19.496 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.003 17.902 3.802 1.00 0.00 H new ATOM 749 N LEU A 51 -8.397 17.000 7.696 1.00 0.00 N ATOM 750 CA LEU A 51 -9.168 15.973 8.377 1.00 0.00 C ATOM 751 C LEU A 51 -10.536 16.539 8.763 1.00 0.00 C ATOM 752 O LEU A 51 -10.621 17.598 9.384 1.00 0.00 O ATOM 753 CB LEU A 51 -8.379 15.410 9.561 1.00 0.00 C ATOM 754 CG LEU A 51 -7.062 14.711 9.219 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.313 14.301 10.488 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.298 13.524 8.283 1.00 0.00 C ATOM 0 H LEU A 51 -8.110 17.780 8.287 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.349 15.128 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.165 16.227 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.015 14.702 10.092 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.428 15.419 8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.380 13.806 10.216 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.094 15.187 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.930 13.617 11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.346 13.045 8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.960 12.805 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.757 13.875 7.359 1.00 0.00 H new ATOM 768 N SER A 52 -11.572 15.810 8.378 1.00 0.00 N ATOM 769 CA SER A 52 -12.932 16.226 8.675 1.00 0.00 C ATOM 770 C SER A 52 -13.729 15.047 9.238 1.00 0.00 C ATOM 771 O SER A 52 -14.228 15.110 10.360 1.00 0.00 O ATOM 772 CB SER A 52 -13.622 16.786 7.430 1.00 0.00 C ATOM 773 OG SER A 52 -13.796 18.199 7.506 1.00 0.00 O ATOM 0 H SER A 52 -11.497 14.933 7.863 1.00 0.00 H new ATOM 0 HA SER A 52 -12.891 17.019 9.422 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.032 16.540 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.593 16.307 7.308 1.00 0.00 H new ATOM 0 HG SER A 52 -14.238 18.518 6.692 1.00 0.00 H new ATOM 779 N SER A 53 -13.823 14.000 8.432 1.00 0.00 N ATOM 780 CA SER A 53 -14.551 12.808 8.836 1.00 0.00 C ATOM 781 C SER A 53 -14.697 11.856 7.647 1.00 0.00 C ATOM 782 O SER A 53 -14.474 10.654 7.779 1.00 0.00 O ATOM 783 CB SER A 53 -15.927 13.168 9.400 1.00 0.00 C ATOM 784 OG SER A 53 -16.761 12.022 9.545 1.00 0.00 O ATOM 0 H SER A 53 -13.408 13.952 7.502 1.00 0.00 H new ATOM 0 HA SER A 53 -13.984 12.311 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 53 -15.806 13.653 10.369 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.412 13.888 8.741 1.00 0.00 H new ATOM 0 HG SER A 53 -17.265 12.088 10.383 1.00 0.00 H new ATOM 790 N SER A 54 -15.070 12.430 6.513 1.00 0.00 N ATOM 791 CA SER A 54 -15.249 11.648 5.302 1.00 0.00 C ATOM 792 C SER A 54 -14.500 12.304 4.140 1.00 0.00 C ATOM 793 O SER A 54 -14.989 12.319 3.011 1.00 0.00 O ATOM 794 CB SER A 54 -16.732 11.494 4.958 1.00 0.00 C ATOM 795 OG SER A 54 -17.065 10.151 4.621 1.00 0.00 O ATOM 0 H SER A 54 -15.253 13.428 6.407 1.00 0.00 H new ATOM 0 HA SER A 54 -14.839 10.653 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.336 11.815 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.980 12.149 4.123 1.00 0.00 H new ATOM 0 HG SER A 54 -16.299 9.568 4.806 1.00 0.00 H new ATOM 801 N SER A 55 -13.326 12.831 4.456 1.00 0.00 N ATOM 802 CA SER A 55 -12.505 13.487 3.452 1.00 0.00 C ATOM 803 C SER A 55 -11.029 13.400 3.845 1.00 0.00 C ATOM 804 O SER A 55 -10.702 13.306 5.027 1.00 0.00 O ATOM 805 CB SER A 55 -12.921 14.948 3.270 1.00 0.00 C ATOM 806 OG SER A 55 -13.597 15.457 4.416 1.00 0.00 O ATOM 0 H SER A 55 -12.924 12.817 5.393 1.00 0.00 H new ATOM 0 HA SER A 55 -12.652 12.975 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.037 15.554 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.570 15.034 2.398 1.00 0.00 H new ATOM 0 HG SER A 55 -13.845 16.392 4.261 1.00 0.00 H new ATOM 812 N ILE A 56 -10.177 13.435 2.831 1.00 0.00 N ATOM 813 CA ILE A 56 -8.743 13.361 3.056 1.00 0.00 C ATOM 814 C ILE A 56 -8.018 14.135 1.953 1.00 0.00 C ATOM 815 O ILE A 56 -8.437 14.112 0.796 1.00 0.00 O ATOM 816 CB ILE A 56 -8.295 11.904 3.182 1.00 0.00 C ATOM 817 CG1 ILE A 56 -6.773 11.807 3.307 1.00 0.00 C ATOM 818 CG2 ILE A 56 -8.829 11.063 2.020 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.118 11.660 1.933 1.00 0.00 C ATOM 0 H ILE A 56 -10.452 13.514 1.852 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.481 13.833 4.003 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.720 11.494 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.388 12.698 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.510 10.954 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.496 10.031 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.919 11.094 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.453 11.463 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.036 11.593 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.487 10.756 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.363 12.526 1.318 1.00 0.00 H new ATOM 831 N ARG A 57 -6.944 14.800 2.349 1.00 0.00 N ATOM 832 CA ARG A 57 -6.157 15.579 1.408 1.00 0.00 C ATOM 833 C ARG A 57 -4.670 15.492 1.760 1.00 0.00 C ATOM 834 O ARG A 57 -4.271 15.830 2.873 1.00 0.00 O ATOM 835 CB ARG A 57 -6.589 17.047 1.411 1.00 0.00 C ATOM 836 CG ARG A 57 -5.737 17.871 0.443 1.00 0.00 C ATOM 837 CD ARG A 57 -6.494 19.114 -0.031 1.00 0.00 C ATOM 838 NE ARG A 57 -5.614 19.948 -0.881 1.00 0.00 N ATOM 839 CZ ARG A 57 -6.061 20.815 -1.799 1.00 0.00 C ATOM 840 NH1 ARG A 57 -7.378 20.967 -1.993 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.190 21.530 -2.525 1.00 0.00 N ATOM 0 H ARG A 57 -6.600 14.816 3.309 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.324 15.165 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.640 17.121 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.499 17.454 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.810 18.170 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.461 17.259 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.381 18.818 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.837 19.691 0.828 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.605 19.857 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.041 20.422 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.718 21.627 -2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.187 21.414 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.530 22.190 -3.224 1.00 0.00 H new ATOM 855 N VAL A 58 -3.891 15.036 0.790 1.00 0.00 N ATOM 856 CA VAL A 58 -2.457 14.900 0.983 1.00 0.00 C ATOM 857 C VAL A 58 -1.726 15.512 -0.213 1.00 0.00 C ATOM 858 O VAL A 58 -1.561 14.862 -1.244 1.00 0.00 O ATOM 859 CB VAL A 58 -2.098 13.431 1.216 1.00 0.00 C ATOM 860 CG1 VAL A 58 -0.600 13.269 1.485 1.00 0.00 C ATOM 861 CG2 VAL A 58 -2.927 12.838 2.357 1.00 0.00 C ATOM 0 H VAL A 58 -4.226 14.756 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.137 15.444 1.872 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.337 12.879 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.371 12.216 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.035 13.635 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.326 13.841 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.652 11.793 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.734 13.394 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.986 12.903 2.109 1.00 0.00 H new ATOM 871 N ALA A 59 -1.306 16.756 -0.035 1.00 0.00 N ATOM 872 CA ALA A 59 -0.595 17.464 -1.087 1.00 0.00 C ATOM 873 C ALA A 59 0.751 17.951 -0.549 1.00 0.00 C ATOM 874 O ALA A 59 0.812 18.573 0.510 1.00 0.00 O ATOM 875 CB ALA A 59 -1.464 18.610 -1.608 1.00 0.00 C ATOM 0 H ALA A 59 -1.444 17.292 0.822 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.393 16.800 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.931 19.141 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.396 18.208 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.685 19.299 -0.793 1.00 0.00 H new ATOM 881 N MET A 60 1.798 17.649 -1.303 1.00 0.00 N ATOM 882 CA MET A 60 3.140 18.048 -0.915 1.00 0.00 C ATOM 883 C MET A 60 3.612 19.252 -1.732 1.00 0.00 C ATOM 884 O MET A 60 3.304 19.361 -2.918 1.00 0.00 O ATOM 885 CB MET A 60 4.103 16.878 -1.127 1.00 0.00 C ATOM 886 CG MET A 60 3.981 16.318 -2.546 1.00 0.00 C ATOM 887 SD MET A 60 5.603 15.981 -3.210 1.00 0.00 S ATOM 888 CE MET A 60 6.328 17.609 -3.100 1.00 0.00 C ATOM 0 H MET A 60 1.744 17.132 -2.181 1.00 0.00 H new ATOM 0 HA MET A 60 3.124 18.330 0.138 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.127 17.208 -0.949 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.891 16.092 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.386 15.405 -2.536 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.459 17.031 -3.184 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.996 17.768 -3.947 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.539 18.361 -3.115 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.893 17.694 -2.171 1.00 0.00 H new ATOM 898 N LEU A 61 4.352 20.126 -1.066 1.00 0.00 N ATOM 899 CA LEU A 61 4.870 21.318 -1.716 1.00 0.00 C ATOM 900 C LEU A 61 5.983 20.921 -2.687 1.00 0.00 C ATOM 901 O LEU A 61 6.803 20.058 -2.378 1.00 0.00 O ATOM 902 CB LEU A 61 5.302 22.352 -0.673 1.00 0.00 C ATOM 903 CG LEU A 61 4.177 22.996 0.139 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.623 24.337 0.726 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.904 23.132 -0.699 1.00 0.00 C ATOM 0 H LEU A 61 4.605 20.033 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 61 4.090 21.801 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.994 21.873 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.855 23.142 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 61 3.942 22.340 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.805 24.774 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.481 24.181 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.902 25.013 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.120 23.593 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.107 23.755 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.577 22.145 -1.027 1.00 0.00 H new ATOM 917 N GLU A 62 5.977 21.571 -3.842 1.00 0.00 N ATOM 918 CA GLU A 62 6.976 21.297 -4.860 1.00 0.00 C ATOM 919 C GLU A 62 7.999 22.434 -4.920 1.00 0.00 C ATOM 920 O GLU A 62 7.976 23.339 -4.087 1.00 0.00 O ATOM 921 CB GLU A 62 6.321 21.077 -6.225 1.00 0.00 C ATOM 922 CG GLU A 62 5.904 19.616 -6.404 1.00 0.00 C ATOM 923 CD GLU A 62 6.815 18.905 -7.407 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.998 18.707 -7.058 1.00 0.00 O ATOM 925 OE2 GLU A 62 6.306 18.574 -8.500 1.00 0.00 O ATOM 0 H GLU A 62 5.296 22.287 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 62 7.498 20.379 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.448 21.723 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.016 21.360 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.944 19.102 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.871 19.568 -6.748 1.00 0.00 H new ATOM 932 N GLU A 63 8.872 22.350 -5.912 1.00 0.00 N ATOM 933 CA GLU A 63 9.901 23.360 -6.091 1.00 0.00 C ATOM 934 C GLU A 63 9.274 24.686 -6.526 1.00 0.00 C ATOM 935 O GLU A 63 9.709 25.753 -6.096 1.00 0.00 O ATOM 936 CB GLU A 63 10.956 22.896 -7.098 1.00 0.00 C ATOM 937 CG GLU A 63 12.087 22.139 -6.399 1.00 0.00 C ATOM 938 CD GLU A 63 13.190 21.764 -7.390 1.00 0.00 C ATOM 939 OE1 GLU A 63 13.452 22.593 -8.288 1.00 0.00 O ATOM 940 OE2 GLU A 63 13.747 20.657 -7.227 1.00 0.00 O ATOM 0 H GLU A 63 8.888 21.598 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 63 10.401 23.514 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.492 22.253 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.363 23.758 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.503 22.755 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.691 21.237 -5.931 1.00 0.00 H new ATOM 947 N ASN A 64 8.261 24.575 -7.373 1.00 0.00 N ATOM 948 CA ASN A 64 7.569 25.752 -7.870 1.00 0.00 C ATOM 949 C ASN A 64 6.059 25.518 -7.801 1.00 0.00 C ATOM 950 O ASN A 64 5.359 25.652 -8.804 1.00 0.00 O ATOM 951 CB ASN A 64 7.938 26.032 -9.329 1.00 0.00 C ATOM 952 CG ASN A 64 7.890 27.531 -9.628 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.845 28.367 -8.740 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.903 27.825 -10.925 1.00 0.00 N ATOM 0 H ASN A 64 7.903 23.688 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 64 7.863 26.602 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.937 25.648 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.251 25.503 -9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.875 28.799 -11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.941 27.077 -11.617 1.00 0.00 H new ATOM 961 N GLY A 65 5.600 25.172 -6.607 1.00 0.00 N ATOM 962 CA GLY A 65 4.186 24.918 -6.393 1.00 0.00 C ATOM 963 C GLY A 65 3.978 23.752 -5.425 1.00 0.00 C ATOM 964 O GLY A 65 4.712 23.613 -4.448 1.00 0.00 O ATOM 0 H GLY A 65 6.183 25.062 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.708 25.814 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.705 24.695 -7.345 1.00 0.00 H new ATOM 968 N GLU A 66 2.974 22.943 -5.730 1.00 0.00 N ATOM 969 CA GLU A 66 2.660 21.793 -4.899 1.00 0.00 C ATOM 970 C GLU A 66 1.982 20.704 -5.733 1.00 0.00 C ATOM 971 O GLU A 66 1.602 20.941 -6.878 1.00 0.00 O ATOM 972 CB GLU A 66 1.786 22.198 -3.710 1.00 0.00 C ATOM 973 CG GLU A 66 0.320 22.327 -4.127 1.00 0.00 C ATOM 974 CD GLU A 66 0.190 23.087 -5.448 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.576 24.276 -5.459 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.293 22.463 -6.417 1.00 0.00 O ATOM 0 H GLU A 66 2.367 23.061 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 66 3.592 21.391 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.878 21.456 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.137 23.146 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.121 21.336 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.239 22.846 -3.348 1.00 0.00 H new ATOM 983 N ARG A 67 1.850 19.534 -5.126 1.00 0.00 N ATOM 984 CA ARG A 67 1.224 18.408 -5.798 1.00 0.00 C ATOM 985 C ARG A 67 0.313 17.651 -4.829 1.00 0.00 C ATOM 986 O ARG A 67 0.649 17.485 -3.657 1.00 0.00 O ATOM 987 CB ARG A 67 2.275 17.447 -6.356 1.00 0.00 C ATOM 988 CG ARG A 67 1.616 16.200 -6.950 1.00 0.00 C ATOM 989 CD ARG A 67 2.595 15.437 -7.845 1.00 0.00 C ATOM 990 NE ARG A 67 3.668 14.834 -7.023 1.00 0.00 N ATOM 991 CZ ARG A 67 4.476 13.852 -7.445 1.00 0.00 C ATOM 992 NH1 ARG A 67 4.338 13.356 -8.682 1.00 0.00 N ATOM 993 NH2 ARG A 67 5.422 13.366 -6.630 1.00 0.00 N ATOM 0 H ARG A 67 2.166 19.341 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 67 0.633 18.802 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.864 17.951 -7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.964 17.156 -5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.269 15.550 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.738 16.488 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.066 14.659 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.027 16.112 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 67 3.801 15.188 -6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.618 13.726 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.953 12.608 -9.003 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.527 13.744 -5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.037 12.618 -6.951 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.821 17.212 -5.354 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.782 16.476 -4.551 1.00 0.00 C ATOM 1009 C VAL A 68 -1.539 14.975 -4.720 1.00 0.00 C ATOM 1010 O VAL A 68 -2.008 14.372 -5.684 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.206 16.897 -4.922 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.239 16.061 -4.165 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.418 18.391 -4.671 1.00 0.00 C ATOM 0 H VAL A 68 -1.096 17.352 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.654 16.709 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.344 16.714 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.242 16.380 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.109 15.008 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.102 16.198 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.438 18.664 -4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.252 18.610 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.715 18.965 -5.275 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.807 14.415 -3.768 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.496 12.996 -3.800 1.00 0.00 C ATOM 1025 C LEU A 69 -1.791 12.192 -3.669 1.00 0.00 C ATOM 1026 O LEU A 69 -2.051 11.293 -4.467 1.00 0.00 O ATOM 1027 CB LEU A 69 0.551 12.653 -2.738 1.00 0.00 C ATOM 1028 CG LEU A 69 1.830 13.492 -2.762 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.632 13.306 -1.473 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.665 13.184 -4.006 1.00 0.00 C ATOM 0 H LEU A 69 -0.420 14.918 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.047 12.725 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.091 12.757 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.826 11.604 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 69 1.547 14.543 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.536 13.913 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.027 13.615 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.905 12.257 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.568 13.794 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.939 12.129 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.083 13.409 -4.900 1.00 0.00 H new ATOM 1042 N MET A 70 -2.569 12.544 -2.656 1.00 0.00 N ATOM 1043 CA MET A 70 -3.831 11.867 -2.410 1.00 0.00 C ATOM 1044 C MET A 70 -4.907 12.857 -1.961 1.00 0.00 C ATOM 1045 O MET A 70 -4.611 13.828 -1.266 1.00 0.00 O ATOM 1046 CB MET A 70 -3.635 10.800 -1.330 1.00 0.00 C ATOM 1047 CG MET A 70 -4.954 10.089 -1.017 1.00 0.00 C ATOM 1048 SD MET A 70 -4.676 8.782 0.166 1.00 0.00 S ATOM 1049 CE MET A 70 -6.364 8.339 0.540 1.00 0.00 C ATOM 0 H MET A 70 -2.350 13.290 -1.996 1.00 0.00 H new ATOM 0 HA MET A 70 -4.159 11.401 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.895 10.072 -1.663 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.243 11.262 -0.424 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.676 10.803 -0.620 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.381 9.678 -1.932 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.562 8.519 1.597 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.041 8.943 -0.064 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.522 7.284 0.316 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.134 12.577 -2.376 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.255 13.431 -2.025 1.00 0.00 C ATOM 1061 C GLU A 71 -8.558 12.850 -2.578 1.00 0.00 C ATOM 1062 O GLU A 71 -8.552 12.162 -3.597 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.036 14.859 -2.529 1.00 0.00 C ATOM 1064 CG GLU A 71 -7.934 15.848 -1.782 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.368 15.794 -2.313 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.512 15.673 -3.548 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.288 15.876 -1.471 1.00 0.00 O ATOM 0 H GLU A 71 -6.376 11.771 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.329 13.471 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.991 15.139 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.246 14.907 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.928 15.618 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.539 16.858 -1.892 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.645 13.148 -1.880 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.952 12.663 -2.288 1.00 0.00 C ATOM 1076 C GLY A 72 -11.847 12.410 -1.072 1.00 0.00 C ATOM 1077 O GLY A 72 -11.358 12.060 0.001 1.00 0.00 O ATOM 0 H GLY A 72 -9.647 13.719 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.425 13.391 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.840 11.742 -2.860 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.142 12.598 -1.282 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.109 12.395 -0.217 1.00 0.00 C ATOM 1083 C LYS A 73 -14.187 10.904 0.118 1.00 0.00 C ATOM 1084 O LYS A 73 -14.604 10.099 -0.713 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.457 13.012 -0.592 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.360 14.538 -0.666 1.00 0.00 C ATOM 1087 CD LYS A 73 -15.384 15.019 -2.118 1.00 0.00 C ATOM 1088 CE LYS A 73 -16.817 15.087 -2.650 1.00 0.00 C ATOM 1089 NZ LYS A 73 -16.841 14.842 -4.109 1.00 0.00 N ATOM 0 H LYS A 73 -13.544 12.889 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.790 12.910 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.787 12.618 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.209 12.727 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.189 14.986 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.441 14.871 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.920 16.003 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.794 14.344 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.435 14.348 -2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.246 16.065 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.821 14.892 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.267 15.563 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.451 13.899 -4.309 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.780 10.581 1.336 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.799 9.201 1.791 1.00 0.00 C ATOM 1105 C LEU A 74 -15.193 8.613 1.565 1.00 0.00 C ATOM 1106 O LEU A 74 -16.114 9.326 1.168 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.319 9.108 3.241 1.00 0.00 C ATOM 1108 CG LEU A 74 -11.870 9.528 3.497 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -11.626 9.774 4.987 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.892 8.504 2.917 1.00 0.00 C ATOM 0 H LEU A 74 -13.435 11.252 2.023 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.101 8.599 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.970 9.727 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.443 8.079 3.578 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.691 10.472 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.589 10.071 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.287 10.567 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.828 8.860 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.869 8.826 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.062 7.534 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.047 8.422 1.841 1.00 0.00 H new ATOM 1122 N THR A 75 -15.305 7.320 1.828 1.00 0.00 N ATOM 1123 CA THR A 75 -16.571 6.628 1.659 1.00 0.00 C ATOM 1124 C THR A 75 -17.352 6.614 2.974 1.00 0.00 C ATOM 1125 O THR A 75 -18.575 6.745 2.976 1.00 0.00 O ATOM 1126 CB THR A 75 -16.277 5.230 1.112 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.357 4.677 2.049 1.00 0.00 O ATOM 1128 CG2 THR A 75 -15.494 5.267 -0.202 1.00 0.00 C ATOM 0 H THR A 75 -14.539 6.733 2.157 1.00 0.00 H new ATOM 0 HA THR A 75 -17.211 7.145 0.944 1.00 0.00 H new ATOM 0 HB THR A 75 -17.215 4.696 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.534 4.417 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.312 4.249 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.070 5.807 -0.954 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.541 5.772 -0.044 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.612 6.455 4.062 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.220 6.423 5.382 1.00 0.00 C ATOM 1138 C HIS A 76 -16.659 7.564 6.233 1.00 0.00 C ATOM 1139 O HIS A 76 -15.750 8.273 5.806 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.033 5.051 6.033 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.265 4.179 5.991 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -18.950 3.905 4.821 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -18.925 3.522 6.988 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -19.976 3.118 5.112 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -19.959 2.882 6.455 1.00 0.00 N ATOM 0 H HIS A 76 -15.598 6.347 4.057 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.296 6.576 5.295 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.215 4.531 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.734 5.191 7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.653 3.522 8.033 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.699 2.731 4.409 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -20.630 2.308 6.966 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.226 7.706 7.422 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.794 8.749 8.337 1.00 0.00 C ATOM 1155 C LYS A 77 -15.705 8.196 9.257 1.00 0.00 C ATOM 1156 O LYS A 77 -15.588 6.983 9.428 1.00 0.00 O ATOM 1157 CB LYS A 77 -17.993 9.334 9.086 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.841 10.213 8.164 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.835 11.053 8.968 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.446 12.157 8.103 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.740 13.354 8.921 1.00 0.00 N ATOM 0 H LYS A 77 -17.981 7.116 7.773 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.354 9.581 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.605 8.526 9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.644 9.922 9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.192 10.868 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.380 9.587 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.626 10.412 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.331 11.496 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.759 12.419 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.362 11.795 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.154 14.093 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.413 13.104 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.860 13.708 9.347 1.00 0.00 H new ATOM 1175 N ILE A 78 -14.934 9.111 9.826 1.00 0.00 N ATOM 1176 CA ILE A 78 -13.858 8.729 10.724 1.00 0.00 C ATOM 1177 C ILE A 78 -13.813 9.704 11.903 1.00 0.00 C ATOM 1178 O ILE A 78 -14.293 10.832 11.799 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.535 8.626 9.962 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.091 9.996 9.445 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.629 7.592 8.838 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.056 10.625 10.380 1.00 0.00 C ATOM 0 H ILE A 78 -15.033 10.116 9.682 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.041 7.737 11.136 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.768 8.280 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.668 9.892 8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.956 10.654 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.676 7.538 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.866 6.616 9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.413 7.884 8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.757 11.598 9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.490 10.750 11.372 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.183 9.976 10.445 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.233 9.233 12.998 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.120 10.049 14.195 1.00 0.00 C ATOM 1196 C ASN A 79 -11.826 10.861 14.132 1.00 0.00 C ATOM 1197 O ASN A 79 -10.820 10.481 14.730 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.072 9.178 15.452 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.665 9.916 16.653 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -13.129 10.900 17.137 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.799 9.389 17.107 1.00 0.00 N ATOM 0 H ASN A 79 -12.837 8.297 13.081 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.991 10.702 14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.624 8.254 15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.040 8.898 15.666 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.273 9.810 17.906 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.195 8.564 16.656 1.00 0.00 H new ATOM 1208 N THR A 80 -11.893 11.966 13.404 1.00 0.00 N ATOM 1209 CA THR A 80 -10.738 12.836 13.256 1.00 0.00 C ATOM 1210 C THR A 80 -9.992 12.963 14.586 1.00 0.00 C ATOM 1211 O THR A 80 -8.763 12.984 14.612 1.00 0.00 O ATOM 1212 CB THR A 80 -11.224 14.176 12.701 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.216 14.599 13.633 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.990 14.022 11.385 1.00 0.00 C ATOM 0 H THR A 80 -12.729 12.279 12.910 1.00 0.00 H new ATOM 0 HA THR A 80 -10.016 12.420 12.553 1.00 0.00 H new ATOM 0 HB THR A 80 -10.370 14.836 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.583 15.462 13.350 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.312 15.003 11.035 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.341 13.565 10.638 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.863 13.389 11.544 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.768 13.045 15.657 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.196 13.170 16.987 1.00 0.00 C ATOM 1224 C GLU A 81 -9.156 12.072 17.223 1.00 0.00 C ATOM 1225 O GLU A 81 -7.997 12.362 17.512 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.287 13.131 18.059 1.00 0.00 C ATOM 1227 CG GLU A 81 -10.972 14.103 19.197 1.00 0.00 C ATOM 1228 CD GLU A 81 -12.174 14.264 20.130 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -13.054 15.082 19.785 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -12.186 13.566 21.166 1.00 0.00 O ATOM 0 H GLU A 81 -11.788 13.027 15.631 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.698 14.137 17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.249 13.386 17.614 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.377 12.119 18.455 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.114 13.740 19.763 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.695 15.073 18.785 1.00 0.00 H new ATOM 1237 N SER A 82 -9.610 10.834 17.091 1.00 0.00 N ATOM 1238 CA SER A 82 -8.733 9.692 17.286 1.00 0.00 C ATOM 1239 C SER A 82 -7.707 9.619 16.153 1.00 0.00 C ATOM 1240 O SER A 82 -6.592 9.140 16.350 1.00 0.00 O ATOM 1241 CB SER A 82 -9.534 8.390 17.361 1.00 0.00 C ATOM 1242 OG SER A 82 -9.826 8.019 18.705 1.00 0.00 O ATOM 0 H SER A 82 -10.573 10.597 16.852 1.00 0.00 H new ATOM 0 HA SER A 82 -8.209 9.821 18.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.465 8.505 16.806 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.972 7.590 16.878 1.00 0.00 H new ATOM 0 HG SER A 82 -10.339 7.184 18.710 1.00 0.00 H new ATOM 1248 N SER A 83 -8.121 10.103 14.991 1.00 0.00 N ATOM 1249 CA SER A 83 -7.252 10.099 13.827 1.00 0.00 C ATOM 1250 C SER A 83 -6.073 11.047 14.051 1.00 0.00 C ATOM 1251 O SER A 83 -6.120 11.905 14.931 1.00 0.00 O ATOM 1252 CB SER A 83 -8.020 10.497 12.565 1.00 0.00 C ATOM 1253 OG SER A 83 -9.219 9.743 12.409 1.00 0.00 O ATOM 0 H SER A 83 -9.047 10.500 14.831 1.00 0.00 H new ATOM 0 HA SER A 83 -6.874 9.086 13.686 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.263 11.559 12.608 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.384 10.351 11.692 1.00 0.00 H new ATOM 0 HG SER A 83 -9.836 9.955 13.140 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.042 10.861 13.239 1.00 0.00 N ATOM 1260 CA LEU A 84 -3.852 11.689 13.338 1.00 0.00 C ATOM 1261 C LEU A 84 -3.182 11.777 11.966 1.00 0.00 C ATOM 1262 O LEU A 84 -3.651 11.175 11.002 1.00 0.00 O ATOM 1263 CB LEU A 84 -2.928 11.170 14.442 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.523 9.698 14.340 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -1.971 9.376 12.950 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -1.538 9.323 15.449 1.00 0.00 C ATOM 0 H LEU A 84 -5.006 10.149 12.510 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.118 12.705 13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.022 11.776 14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.419 11.326 15.403 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.415 9.088 14.481 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.691 8.324 12.905 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.734 9.581 12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.094 9.994 12.755 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.266 8.272 15.354 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.643 9.939 15.364 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.003 9.491 16.421 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.094 12.533 11.921 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.355 12.708 10.683 1.00 0.00 C ATOM 1280 C TRP A 85 0.014 13.298 11.029 1.00 0.00 C ATOM 1281 O TRP A 85 0.099 14.334 11.687 1.00 0.00 O ATOM 1282 CB TRP A 85 -2.142 13.565 9.690 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.618 14.996 9.551 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.171 16.126 10.011 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.404 15.406 8.885 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.407 17.230 9.691 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.298 16.778 8.985 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.572 14.642 8.221 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.768 17.506 8.444 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.631 15.385 7.685 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.752 16.766 7.777 1.00 0.00 C ATOM 0 H TRP A 85 -1.707 13.031 12.723 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.206 11.750 10.185 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -2.119 13.084 8.712 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.185 13.600 10.003 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.098 16.168 10.563 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.617 18.199 9.929 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.510 13.568 8.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.828 18.580 8.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.408 14.847 7.163 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.601 17.267 7.336 1.00 0.00 H new ATOM 1302 N SER A 86 1.051 12.614 10.570 1.00 0.00 N ATOM 1303 CA SER A 86 2.412 13.058 10.822 1.00 0.00 C ATOM 1304 C SER A 86 3.191 13.129 9.508 1.00 0.00 C ATOM 1305 O SER A 86 2.780 12.546 8.506 1.00 0.00 O ATOM 1306 CB SER A 86 3.120 12.128 11.810 1.00 0.00 C ATOM 1307 OG SER A 86 2.522 12.168 13.103 1.00 0.00 O ATOM 0 H SER A 86 0.977 11.755 10.025 1.00 0.00 H new ATOM 0 HA SER A 86 2.371 14.053 11.266 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.093 11.107 11.430 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.170 12.412 11.887 1.00 0.00 H new ATOM 0 HG SER A 86 3.001 11.560 13.704 1.00 0.00 H new ATOM 1313 N LEU A 87 4.304 13.848 9.555 1.00 0.00 N ATOM 1314 CA LEU A 87 5.145 14.002 8.380 1.00 0.00 C ATOM 1315 C LEU A 87 6.533 13.432 8.674 1.00 0.00 C ATOM 1316 O LEU A 87 7.026 13.533 9.797 1.00 0.00 O ATOM 1317 CB LEU A 87 5.164 15.462 7.924 1.00 0.00 C ATOM 1318 CG LEU A 87 6.277 15.845 6.946 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.622 15.966 7.667 1.00 0.00 C ATOM 1320 CD2 LEU A 87 6.340 14.862 5.776 1.00 0.00 C ATOM 0 H LEU A 87 4.642 14.330 10.388 1.00 0.00 H new ATOM 0 HA LEU A 87 4.738 13.435 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.205 15.689 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.249 16.096 8.806 1.00 0.00 H new ATOM 0 HG LEU A 87 6.045 16.826 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.396 16.239 6.950 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.554 16.734 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.875 15.011 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.139 15.157 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.537 13.859 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.389 14.869 5.243 1.00 0.00 H new ATOM 1332 N GLU A 88 7.126 12.844 7.645 1.00 0.00 N ATOM 1333 CA GLU A 88 8.449 12.257 7.779 1.00 0.00 C ATOM 1334 C GLU A 88 9.382 12.799 6.695 1.00 0.00 C ATOM 1335 O GLU A 88 8.998 12.894 5.530 1.00 0.00 O ATOM 1336 CB GLU A 88 8.378 10.729 7.728 1.00 0.00 C ATOM 1337 CG GLU A 88 7.528 10.181 8.876 1.00 0.00 C ATOM 1338 CD GLU A 88 8.404 9.504 9.932 1.00 0.00 C ATOM 1339 OE1 GLU A 88 9.346 10.177 10.405 1.00 0.00 O ATOM 1340 OE2 GLU A 88 8.113 8.329 10.243 1.00 0.00 O ATOM 0 H GLU A 88 6.715 12.761 6.715 1.00 0.00 H new ATOM 0 HA GLU A 88 8.853 12.537 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.955 10.413 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.384 10.313 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.962 10.992 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.803 9.466 8.487 1.00 0.00 H new ATOM 1347 N PRO A 89 10.623 13.149 7.127 1.00 0.00 N ATOM 1348 CA PRO A 89 11.615 13.679 6.206 1.00 0.00 C ATOM 1349 C PRO A 89 12.196 12.569 5.328 1.00 0.00 C ATOM 1350 O PRO A 89 12.801 11.625 5.834 1.00 0.00 O ATOM 1351 CB PRO A 89 12.657 14.344 7.091 1.00 0.00 C ATOM 1352 CG PRO A 89 12.456 13.763 8.481 1.00 0.00 C ATOM 1353 CD PRO A 89 11.114 13.050 8.499 1.00 0.00 C ATOM 0 HA PRO A 89 11.194 14.396 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.664 14.144 6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.530 15.427 7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.260 13.069 8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.479 14.553 9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.222 12.010 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.425 13.520 9.201 1.00 0.00 H new ATOM 1361 N GLY A 90 11.992 12.719 4.028 1.00 0.00 N ATOM 1362 CA GLY A 90 12.488 11.742 3.075 1.00 0.00 C ATOM 1363 C GLY A 90 11.964 10.342 3.401 1.00 0.00 C ATOM 1364 O GLY A 90 12.739 9.392 3.502 1.00 0.00 O ATOM 0 H GLY A 90 11.490 13.503 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.181 12.023 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.578 11.738 3.087 1.00 0.00 H new ATOM 1368 N LYS A 91 10.651 10.259 3.557 1.00 0.00 N ATOM 1369 CA LYS A 91 10.013 8.991 3.870 1.00 0.00 C ATOM 1370 C LYS A 91 8.599 8.978 3.287 1.00 0.00 C ATOM 1371 O LYS A 91 8.420 8.775 2.087 1.00 0.00 O ATOM 1372 CB LYS A 91 10.060 8.725 5.376 1.00 0.00 C ATOM 1373 CG LYS A 91 9.313 7.438 5.730 1.00 0.00 C ATOM 1374 CD LYS A 91 10.108 6.599 6.732 1.00 0.00 C ATOM 1375 CE LYS A 91 9.197 5.619 7.472 1.00 0.00 C ATOM 1376 NZ LYS A 91 9.978 4.473 7.989 1.00 0.00 N ATOM 0 H LYS A 91 10.011 11.049 3.473 1.00 0.00 H new ATOM 0 HA LYS A 91 10.556 8.167 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.097 8.649 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.618 9.565 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.337 7.684 6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.134 6.857 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.892 6.049 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.602 7.254 7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.699 6.129 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.417 5.261 6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.344 3.818 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.433 3.977 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.707 4.818 8.646 1.00 0.00 H new ATOM 1390 N CYS A 92 7.630 9.198 4.164 1.00 0.00 N ATOM 1391 CA CYS A 92 6.237 9.215 3.751 1.00 0.00 C ATOM 1392 C CYS A 92 5.415 9.874 4.861 1.00 0.00 C ATOM 1393 O CYS A 92 5.947 10.205 5.919 1.00 0.00 O ATOM 1394 CB CYS A 92 5.728 7.810 3.421 1.00 0.00 C ATOM 1395 SG CYS A 92 6.483 6.589 4.555 1.00 0.00 S ATOM 0 H CYS A 92 7.782 9.366 5.159 1.00 0.00 H new ATOM 0 HA CYS A 92 6.134 9.793 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.642 7.778 3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.972 7.559 2.389 1.00 0.00 H new ATOM 0 HG CYS A 92 6.043 5.400 4.268 1.00 0.00 H new ATOM 1401 N VAL A 93 4.131 10.045 4.580 1.00 0.00 N ATOM 1402 CA VAL A 93 3.231 10.658 5.541 1.00 0.00 C ATOM 1403 C VAL A 93 2.392 9.570 6.215 1.00 0.00 C ATOM 1404 O VAL A 93 1.813 8.721 5.540 1.00 0.00 O ATOM 1405 CB VAL A 93 2.380 11.728 4.853 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.230 12.178 5.755 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.239 12.919 4.423 1.00 0.00 C ATOM 0 H VAL A 93 3.693 9.770 3.701 1.00 0.00 H new ATOM 0 HA VAL A 93 3.796 11.164 6.324 1.00 0.00 H new ATOM 0 HB VAL A 93 1.947 11.286 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.641 12.938 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.595 11.323 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.633 12.593 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.610 13.665 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.714 13.360 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.006 12.582 3.726 1.00 0.00 H new ATOM 1417 N LEU A 94 2.355 9.631 7.538 1.00 0.00 N ATOM 1418 CA LEU A 94 1.597 8.661 8.311 1.00 0.00 C ATOM 1419 C LEU A 94 0.227 9.249 8.655 1.00 0.00 C ATOM 1420 O LEU A 94 0.136 10.365 9.164 1.00 0.00 O ATOM 1421 CB LEU A 94 2.397 8.208 9.534 1.00 0.00 C ATOM 1422 CG LEU A 94 1.884 6.953 10.243 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.559 7.229 10.956 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.777 5.778 9.269 1.00 0.00 C ATOM 0 H LEU A 94 2.837 10.337 8.094 1.00 0.00 H new ATOM 0 HA LEU A 94 1.419 7.760 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.427 8.031 9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.416 9.026 10.254 1.00 0.00 H new ATOM 0 HG LEU A 94 2.609 6.672 11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.216 6.321 11.452 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.702 8.015 11.697 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.187 7.548 10.228 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.410 4.899 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.085 6.033 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.759 5.564 8.848 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.805 8.470 8.364 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.166 8.899 8.637 1.00 0.00 C ATOM 1438 C VAL A 95 -2.959 7.727 9.218 1.00 0.00 C ATOM 1439 O VAL A 95 -2.857 6.602 8.730 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.797 9.477 7.368 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.251 9.884 7.615 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -1.980 10.658 6.839 1.00 0.00 C ATOM 0 H VAL A 95 -0.726 7.545 7.942 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.173 9.696 9.380 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.792 8.697 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.676 10.292 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.826 9.011 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.289 10.640 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.450 11.050 5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.939 11.441 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.968 10.325 6.606 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.732 8.030 10.250 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.542 7.015 10.903 1.00 0.00 C ATOM 1454 C ASN A 96 -5.995 7.489 10.961 1.00 0.00 C ATOM 1455 O ASN A 96 -6.313 8.444 11.668 1.00 0.00 O ATOM 1456 CB ASN A 96 -4.067 6.769 12.336 1.00 0.00 C ATOM 1457 CG ASN A 96 -3.024 5.651 12.384 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.818 6.018 11.959 1.00 0.00 O flip ATOM 1459 ND2 ASN A 96 -3.295 4.530 12.780 1.00 0.00 N flip ATOM 0 H ASN A 96 -3.815 8.964 10.651 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.452 6.092 10.330 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.642 7.686 12.744 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.918 6.505 12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.242 4.315 13.093 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.575 3.808 12.799 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.840 6.799 10.207 1.00 0.00 N ATOM 1467 CA LEU A 97 -8.252 7.138 10.164 1.00 0.00 C ATOM 1468 C LEU A 97 -9.002 6.310 11.210 1.00 0.00 C ATOM 1469 O LEU A 97 -9.019 5.082 11.139 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.798 6.976 8.744 1.00 0.00 C ATOM 1471 CG LEU A 97 -8.187 7.892 7.682 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -9.048 7.917 6.418 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.947 9.296 8.241 1.00 0.00 C ATOM 0 H LEU A 97 -6.573 6.007 9.622 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.401 8.187 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.647 5.942 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.874 7.148 8.768 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.215 7.487 7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.591 8.576 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.123 6.910 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.045 8.284 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.512 9.927 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.894 9.724 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.263 9.238 9.088 1.00 0.00 H new ATOM 1485 N SER A 98 -9.605 7.015 12.156 1.00 0.00 N ATOM 1486 CA SER A 98 -10.355 6.361 13.214 1.00 0.00 C ATOM 1487 C SER A 98 -11.641 5.756 12.647 1.00 0.00 C ATOM 1488 O SER A 98 -12.309 6.373 11.819 1.00 0.00 O ATOM 1489 CB SER A 98 -10.682 7.340 14.344 1.00 0.00 C ATOM 1490 OG SER A 98 -11.599 6.785 15.283 1.00 0.00 O ATOM 0 H SER A 98 -9.589 8.033 12.212 1.00 0.00 H new ATOM 0 HA SER A 98 -9.738 5.564 13.628 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.763 7.621 14.858 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.103 8.253 13.922 1.00 0.00 H new ATOM 0 HG SER A 98 -11.109 6.464 16.068 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.949 4.556 13.116 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.143 3.861 12.666 1.00 0.00 C ATOM 1498 C LYS A 99 -14.345 4.340 13.483 1.00 0.00 C ATOM 1499 O LYS A 99 -14.215 4.639 14.669 1.00 0.00 O ATOM 1500 CB LYS A 99 -12.932 2.346 12.714 1.00 0.00 C ATOM 1501 CG LYS A 99 -11.984 1.890 11.602 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.709 0.990 10.600 1.00 0.00 C ATOM 1503 CE LYS A 99 -11.968 0.951 9.262 1.00 0.00 C ATOM 1504 NZ LYS A 99 -10.947 -0.120 9.266 1.00 0.00 N ATOM 0 H LYS A 99 -11.393 4.047 13.803 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.351 4.098 11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.524 2.062 13.684 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.891 1.838 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.577 2.760 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.141 1.352 12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.790 -0.019 11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.725 1.355 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.677 0.782 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.493 1.914 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.454 -0.133 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.261 0.058 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.408 -1.039 9.423 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.488 4.397 12.816 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.712 4.834 13.465 1.00 0.00 C ATOM 1520 C VAL A 100 -17.838 3.851 13.139 1.00 0.00 C ATOM 1521 O VAL A 100 -17.898 3.317 12.032 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.038 6.272 13.055 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -15.766 7.119 12.970 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.807 6.304 11.733 1.00 0.00 C ATOM 0 H VAL A 100 -15.592 4.148 11.832 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.588 4.838 14.548 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.678 6.704 13.825 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.025 8.136 12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.274 7.136 13.943 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.091 6.689 12.230 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.026 7.337 11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.203 5.846 10.950 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.740 5.752 11.842 1.00 0.00 H new ATOM 1534 N GLY A 101 -18.701 3.640 14.122 1.00 0.00 N ATOM 1535 CA GLY A 101 -19.820 2.730 13.952 1.00 0.00 C ATOM 1536 C GLY A 101 -19.421 1.522 13.103 1.00 0.00 C ATOM 1537 O GLY A 101 -18.334 0.972 13.272 1.00 0.00 O ATOM 0 H GLY A 101 -18.647 4.084 15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -20.171 2.393 14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -20.650 3.254 13.478 1.00 0.00 H new ATOM 1541 N GLU A 102 -20.322 1.144 12.208 1.00 0.00 N ATOM 1542 CA GLU A 102 -20.078 0.011 11.332 1.00 0.00 C ATOM 1543 C GLU A 102 -18.968 0.343 10.332 1.00 0.00 C ATOM 1544 O GLU A 102 -19.201 1.047 9.351 1.00 0.00 O ATOM 1545 CB GLU A 102 -21.359 -0.409 10.609 1.00 0.00 C ATOM 1546 CG GLU A 102 -22.367 -1.015 11.587 1.00 0.00 C ATOM 1547 CD GLU A 102 -23.697 -1.312 10.891 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -23.768 -2.370 10.229 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -24.613 -0.473 11.036 1.00 0.00 O ATOM 0 H GLU A 102 -21.223 1.603 12.071 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.751 -0.831 11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -21.802 0.455 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -21.121 -1.134 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.961 -1.934 12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -22.532 -0.328 12.417 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.784 -0.180 10.616 1.00 0.00 N ATOM 1557 CA TYR A 103 -16.637 0.052 9.755 1.00 0.00 C ATOM 1558 C TYR A 103 -16.828 -0.622 8.395 1.00 0.00 C ATOM 1559 O TYR A 103 -16.506 -1.798 8.230 1.00 0.00 O ATOM 1560 CB TYR A 103 -15.441 -0.586 10.464 1.00 0.00 C ATOM 1561 CG TYR A 103 -15.268 -0.139 11.916 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -16.003 0.922 12.404 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -14.377 -0.798 12.739 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -15.839 1.343 13.772 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -14.214 -0.377 14.107 1.00 0.00 C ATOM 1566 CZ TYR A 103 -14.953 0.673 14.555 1.00 0.00 C ATOM 1567 OH TYR A 103 -14.799 1.070 15.847 1.00 0.00 O ATOM 0 H TYR A 103 -17.594 -0.764 11.431 1.00 0.00 H new ATOM 0 HA TYR A 103 -16.498 1.119 9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -15.553 -1.670 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.533 -0.346 9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -16.701 1.437 11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.802 -1.629 12.357 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -16.407 2.172 14.166 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.521 -0.884 14.762 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.134 0.500 16.287 1.00 0.00 H new ATOM 1577 N TRP A 104 -17.352 0.151 7.455 1.00 0.00 N ATOM 1578 CA TRP A 104 -17.590 -0.357 6.114 1.00 0.00 C ATOM 1579 C TRP A 104 -16.719 0.443 5.144 1.00 0.00 C ATOM 1580 O TRP A 104 -17.129 1.497 4.660 1.00 0.00 O ATOM 1581 CB TRP A 104 -19.078 -0.304 5.764 1.00 0.00 C ATOM 1582 CG TRP A 104 -19.406 -0.821 4.362 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -19.125 -0.248 3.184 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -20.094 -2.048 4.037 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -19.579 -1.011 2.128 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -20.187 -2.141 2.663 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -20.621 -3.046 4.876 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -20.800 -3.215 2.007 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -21.230 -4.112 4.204 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -21.332 -4.221 2.823 1.00 0.00 C ATOM 0 H TRP A 104 -17.619 1.126 7.595 1.00 0.00 H new ATOM 0 HA TRP A 104 -17.312 -1.409 6.045 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -19.634 -0.890 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -19.425 0.726 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -18.608 0.694 3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -19.486 -0.787 1.137 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.561 -2.994 5.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -20.859 -3.265 0.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.651 -4.907 4.802 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.819 -5.077 2.381 1.00 0.00 H new ATOM 1601 N TRP A 105 -15.532 -0.087 4.889 1.00 0.00 N ATOM 1602 CA TRP A 105 -14.600 0.564 3.985 1.00 0.00 C ATOM 1603 C TRP A 105 -14.241 -0.430 2.878 1.00 0.00 C ATOM 1604 O TRP A 105 -13.701 -1.501 3.152 1.00 0.00 O ATOM 1605 CB TRP A 105 -13.376 1.084 4.741 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.703 2.127 5.812 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -14.248 1.926 7.020 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -13.482 3.550 5.722 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.394 3.111 7.712 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.913 4.130 6.898 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.935 4.322 4.682 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.843 5.506 7.145 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.872 5.696 4.945 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.302 6.295 6.123 1.00 0.00 C ATOM 0 H TRP A 105 -15.194 -0.961 5.293 1.00 0.00 H new ATOM 0 HA TRP A 105 -15.056 1.443 3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -12.868 0.242 5.211 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -12.678 1.519 4.026 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.537 0.958 7.403 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -14.783 3.219 8.649 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -12.591 3.890 3.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.188 5.936 8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -12.460 6.335 4.178 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.219 7.364 6.249 1.00 0.00 H new ATOM 1625 N ASN A 106 -14.555 -0.039 1.652 1.00 0.00 N ATOM 1626 CA ASN A 106 -14.272 -0.883 0.503 1.00 0.00 C ATOM 1627 C ASN A 106 -13.492 -0.076 -0.537 1.00 0.00 C ATOM 1628 O ASN A 106 -13.242 -0.557 -1.641 1.00 0.00 O ATOM 1629 CB ASN A 106 -15.565 -1.373 -0.152 1.00 0.00 C ATOM 1630 CG ASN A 106 -16.516 -1.967 0.889 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -16.140 -2.270 2.010 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -17.765 -2.116 0.458 1.00 0.00 N ATOM 0 H ASN A 106 -15.002 0.850 1.429 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.695 -1.741 0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.053 -0.545 -0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.332 -2.123 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.476 -2.504 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.013 -1.842 -0.493 1.00 0.00 H new ATOM 1639 N ALA A 107 -13.129 1.138 -0.148 1.00 0.00 N ATOM 1640 CA ALA A 107 -12.383 2.016 -1.032 1.00 0.00 C ATOM 1641 C ALA A 107 -12.180 3.369 -0.348 1.00 0.00 C ATOM 1642 O ALA A 107 -13.118 4.157 -0.233 1.00 0.00 O ATOM 1643 CB ALA A 107 -13.120 2.142 -2.367 1.00 0.00 C ATOM 0 H ALA A 107 -13.338 1.534 0.768 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.397 1.602 -1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.560 2.801 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.212 1.158 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -14.113 2.557 -2.196 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.950 3.597 0.088 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.612 4.842 0.758 1.00 0.00 C ATOM 1651 C ILE A 108 -11.376 5.993 0.100 1.00 0.00 C ATOM 1652 O ILE A 108 -12.019 6.787 0.785 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.096 5.044 0.780 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.408 3.943 1.590 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.736 6.441 1.291 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.412 4.276 3.083 1.00 0.00 C ATOM 0 H ILE A 108 -10.175 2.941 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.921 4.809 1.803 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.727 4.970 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.917 2.993 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.382 3.820 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.652 6.558 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.179 7.193 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.120 6.568 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.917 3.477 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.882 5.214 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.440 4.375 3.431 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.281 6.047 -1.220 1.00 0.00 N ATOM 1669 CA LEU A 109 -11.955 7.088 -1.977 1.00 0.00 C ATOM 1670 C LEU A 109 -13.011 6.451 -2.882 1.00 0.00 C ATOM 1671 O LEU A 109 -12.875 5.297 -3.285 1.00 0.00 O ATOM 1672 CB LEU A 109 -10.937 7.947 -2.730 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.852 8.605 -1.876 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.014 9.578 -2.707 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.458 9.278 -0.643 1.00 0.00 C ATOM 0 H LEU A 109 -10.747 5.386 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.478 7.769 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.452 7.325 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.476 8.730 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.179 7.825 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.250 10.032 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.535 9.039 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.658 10.357 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.665 9.738 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.167 10.044 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.974 8.532 -0.038 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.041 7.232 -3.176 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.120 6.758 -4.026 1.00 0.00 C ATOM 1689 C GLU A 110 -14.580 6.376 -5.406 1.00 0.00 C ATOM 1690 O GLU A 110 -15.259 5.698 -6.176 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.227 7.808 -4.142 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.065 7.865 -2.863 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.352 8.662 -3.085 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -18.934 8.507 -4.181 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.725 9.409 -2.155 1.00 0.00 O ATOM 0 H GLU A 110 -14.151 8.189 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.554 5.869 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.787 8.786 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.869 7.573 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.311 6.853 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -16.483 8.323 -2.063 1.00 0.00 H new ATOM 1702 N GLY A 111 -13.364 6.827 -5.676 1.00 0.00 N ATOM 1703 CA GLY A 111 -12.726 6.541 -6.949 1.00 0.00 C ATOM 1704 C GLY A 111 -11.652 5.462 -6.794 1.00 0.00 C ATOM 1705 O GLY A 111 -10.519 5.640 -7.240 1.00 0.00 O ATOM 0 H GLY A 111 -12.804 7.388 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.475 6.213 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.278 7.451 -7.348 1.00 0.00 H new ATOM 1709 N GLU A 112 -12.046 4.368 -6.159 1.00 0.00 N ATOM 1710 CA GLU A 112 -11.131 3.260 -5.940 1.00 0.00 C ATOM 1711 C GLU A 112 -11.886 1.930 -5.989 1.00 0.00 C ATOM 1712 O GLU A 112 -12.895 1.760 -5.307 1.00 0.00 O ATOM 1713 CB GLU A 112 -10.387 3.419 -4.612 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.711 2.109 -4.202 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.965 2.268 -2.876 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.250 3.285 -2.745 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -9.127 1.370 -2.022 1.00 0.00 O ATOM 0 H GLU A 112 -12.986 4.225 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.389 3.264 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.638 4.206 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.085 3.731 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.460 1.323 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.014 1.796 -4.980 1.00 0.00 H new ATOM 1724 N GLU A 113 -11.368 1.022 -6.803 1.00 0.00 N ATOM 1725 CA GLU A 113 -11.980 -0.287 -6.950 1.00 0.00 C ATOM 1726 C GLU A 113 -12.406 -0.830 -5.585 1.00 0.00 C ATOM 1727 O GLU A 113 -11.764 -0.551 -4.574 1.00 0.00 O ATOM 1728 CB GLU A 113 -11.033 -1.259 -7.656 1.00 0.00 C ATOM 1729 CG GLU A 113 -11.152 -1.135 -9.176 1.00 0.00 C ATOM 1730 CD GLU A 113 -10.185 -2.088 -9.882 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -8.968 -1.949 -9.634 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -10.686 -2.936 -10.653 1.00 0.00 O ATOM 0 H GLU A 113 -10.531 1.167 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.870 -0.183 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.006 -1.058 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.262 -2.280 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.174 -1.355 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.942 -0.109 -9.478 1.00 0.00 H new ATOM 1739 N PRO A 114 -13.516 -1.617 -5.600 1.00 0.00 N ATOM 1740 CA PRO A 114 -14.035 -2.202 -4.376 1.00 0.00 C ATOM 1741 C PRO A 114 -13.167 -3.376 -3.917 1.00 0.00 C ATOM 1742 O PRO A 114 -13.212 -4.453 -4.508 1.00 0.00 O ATOM 1743 CB PRO A 114 -15.460 -2.612 -4.709 1.00 0.00 C ATOM 1744 CG PRO A 114 -15.534 -2.668 -6.227 1.00 0.00 C ATOM 1745 CD PRO A 114 -14.302 -1.969 -6.779 1.00 0.00 C ATOM 0 HA PRO A 114 -14.020 -1.505 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -15.700 -3.580 -4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.176 -1.894 -4.309 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.572 -3.702 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -16.441 -2.181 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.742 -2.623 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -14.573 -1.083 -7.353 1.00 0.00 H new ATOM 1753 N ILE A 115 -12.398 -3.127 -2.868 1.00 0.00 N ATOM 1754 CA ILE A 115 -11.521 -4.149 -2.324 1.00 0.00 C ATOM 1755 C ILE A 115 -12.310 -5.447 -2.139 1.00 0.00 C ATOM 1756 O ILE A 115 -13.519 -5.479 -2.363 1.00 0.00 O ATOM 1757 CB ILE A 115 -10.848 -3.652 -1.043 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -11.879 -3.076 -0.070 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -9.737 -2.648 -1.361 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -11.268 -2.869 1.318 1.00 0.00 C ATOM 0 H ILE A 115 -12.364 -2.232 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.710 -4.364 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 115 -10.381 -4.504 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -12.253 -2.126 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.733 -3.750 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -9.275 -2.311 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.984 -3.125 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -10.160 -1.793 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -12.022 -2.459 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.917 -3.825 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.430 -2.176 1.247 1.00 0.00 H new ATOM 1772 N ASP A 116 -11.594 -6.485 -1.733 1.00 0.00 N ATOM 1773 CA ASP A 116 -12.213 -7.782 -1.517 1.00 0.00 C ATOM 1774 C ASP A 116 -12.152 -8.129 -0.028 1.00 0.00 C ATOM 1775 O ASP A 116 -13.153 -8.533 0.561 1.00 0.00 O ATOM 1776 CB ASP A 116 -11.477 -8.879 -2.288 1.00 0.00 C ATOM 1777 CG ASP A 116 -12.377 -9.948 -2.910 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -13.458 -10.188 -2.328 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -11.966 -10.501 -3.952 1.00 0.00 O ATOM 0 H ASP A 116 -10.591 -6.455 -1.548 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.244 -7.726 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.890 -8.414 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.773 -9.366 -1.614 1.00 0.00 H new ATOM 1784 N ILE A 117 -10.966 -7.958 0.539 1.00 0.00 N ATOM 1785 CA ILE A 117 -10.761 -8.248 1.948 1.00 0.00 C ATOM 1786 C ILE A 117 -11.800 -7.490 2.776 1.00 0.00 C ATOM 1787 O ILE A 117 -12.089 -6.326 2.502 1.00 0.00 O ATOM 1788 CB ILE A 117 -9.316 -7.950 2.352 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -8.361 -9.006 1.792 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -9.189 -7.808 3.870 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -8.392 -10.278 2.642 1.00 0.00 C ATOM 0 H ILE A 117 -10.138 -7.622 0.048 1.00 0.00 H new ATOM 0 HA ILE A 117 -10.909 -9.310 2.144 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.029 -6.994 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -8.638 -9.244 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.347 -8.607 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.152 -7.596 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -9.823 -6.991 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -9.501 -8.736 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.705 -11.013 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.092 -10.041 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -9.402 -10.688 2.647 1.00 0.00 H new ATOM 1803 N ASP A 118 -12.334 -8.181 3.773 1.00 0.00 N ATOM 1804 CA ASP A 118 -13.335 -7.588 4.643 1.00 0.00 C ATOM 1805 C ASP A 118 -14.529 -7.131 3.802 1.00 0.00 C ATOM 1806 O ASP A 118 -14.567 -5.993 3.338 1.00 0.00 O ATOM 1807 CB ASP A 118 -12.776 -6.365 5.373 1.00 0.00 C ATOM 1808 CG ASP A 118 -13.450 -6.045 6.708 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -14.344 -6.828 7.095 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -13.056 -5.024 7.312 1.00 0.00 O ATOM 0 H ASP A 118 -12.092 -9.146 3.997 1.00 0.00 H new ATOM 0 HA ASP A 118 -13.634 -8.339 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -11.712 -6.521 5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -12.868 -5.497 4.720 1.00 0.00 H new ATOM 1815 N SER A 119 -15.476 -8.042 3.632 1.00 0.00 N ATOM 1816 CA SER A 119 -16.668 -7.747 2.856 1.00 0.00 C ATOM 1817 C SER A 119 -17.816 -8.659 3.292 1.00 0.00 C ATOM 1818 O SER A 119 -17.692 -9.882 3.250 1.00 0.00 O ATOM 1819 CB SER A 119 -16.403 -7.907 1.358 1.00 0.00 C ATOM 1820 OG SER A 119 -16.726 -6.726 0.629 1.00 0.00 O ATOM 0 H SER A 119 -15.442 -8.985 4.019 1.00 0.00 H new ATOM 0 HA SER A 119 -16.947 -6.710 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.353 -8.155 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 119 -16.989 -8.742 0.973 1.00 0.00 H new ATOM 0 HG SER A 119 -16.541 -6.868 -0.323 1.00 0.00 H new ATOM 1826 N GLY A 120 -18.907 -8.029 3.702 1.00 0.00 N ATOM 1827 CA GLY A 120 -20.077 -8.769 4.146 1.00 0.00 C ATOM 1828 C GLY A 120 -20.949 -9.179 2.958 1.00 0.00 C ATOM 1829 O GLY A 120 -20.779 -8.669 1.852 1.00 0.00 O ATOM 0 H GLY A 120 -19.006 -7.014 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -19.763 -9.657 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -20.659 -8.157 4.835 1.00 0.00 H new ATOM 1833 N PRO A 121 -21.889 -10.122 3.235 1.00 0.00 N ATOM 1834 CA PRO A 121 -22.789 -10.607 2.202 1.00 0.00 C ATOM 1835 C PRO A 121 -23.871 -9.572 1.887 1.00 0.00 C ATOM 1836 O PRO A 121 -25.032 -9.752 2.249 1.00 0.00 O ATOM 1837 CB PRO A 121 -23.354 -11.908 2.751 1.00 0.00 C ATOM 1838 CG PRO A 121 -23.111 -11.867 4.251 1.00 0.00 C ATOM 1839 CD PRO A 121 -22.120 -10.750 4.533 1.00 0.00 C ATOM 0 HA PRO A 121 -22.284 -10.777 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -24.418 -11.996 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -22.862 -12.769 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -24.045 -11.692 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -22.719 -12.822 4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -22.522 -10.036 5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -21.194 -11.140 4.955 1.00 0.00 H new ATOM 1847 N SER A 122 -23.451 -8.511 1.214 1.00 0.00 N ATOM 1848 CA SER A 122 -24.369 -7.446 0.846 1.00 0.00 C ATOM 1849 C SER A 122 -23.654 -6.419 -0.034 1.00 0.00 C ATOM 1850 O SER A 122 -22.438 -6.254 0.061 1.00 0.00 O ATOM 1851 CB SER A 122 -24.951 -6.767 2.087 1.00 0.00 C ATOM 1852 OG SER A 122 -25.741 -5.630 1.752 1.00 0.00 O ATOM 0 H SER A 122 -22.487 -8.366 0.914 1.00 0.00 H new ATOM 0 HA SER A 122 -25.194 -7.885 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 122 -25.561 -7.482 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 122 -24.139 -6.463 2.748 1.00 0.00 H new ATOM 0 HG SER A 122 -26.096 -5.225 2.571 1.00 0.00 H new ATOM 1858 N SER A 123 -24.438 -5.757 -0.872 1.00 0.00 N ATOM 1859 CA SER A 123 -23.895 -4.751 -1.768 1.00 0.00 C ATOM 1860 C SER A 123 -24.047 -3.360 -1.149 1.00 0.00 C ATOM 1861 O SER A 123 -23.061 -2.653 -0.951 1.00 0.00 O ATOM 1862 CB SER A 123 -24.582 -4.801 -3.134 1.00 0.00 C ATOM 1863 OG SER A 123 -23.676 -5.157 -4.175 1.00 0.00 O ATOM 0 H SER A 123 -25.445 -5.898 -0.949 1.00 0.00 H new ATOM 0 HA SER A 123 -22.836 -4.962 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 123 -25.399 -5.522 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 123 -25.023 -3.829 -3.354 1.00 0.00 H new ATOM 0 HG SER A 123 -24.153 -5.180 -5.031 1.00 0.00 H new ATOM 1869 N GLY A 124 -25.292 -3.010 -0.859 1.00 0.00 N ATOM 1870 CA GLY A 124 -25.587 -1.716 -0.266 1.00 0.00 C ATOM 1871 C GLY A 124 -25.513 -0.603 -1.313 1.00 0.00 C ATOM 1872 O GLY A 124 -25.409 -0.876 -2.508 1.00 0.00 O ATOM 0 H GLY A 124 -26.108 -3.600 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -26.581 -1.735 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -24.880 -1.511 0.538 1.00 0.00 H new TER 1876 GLY A 124