USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 TYR OH : rot -125:sc= 0.345 USER MOD Set 1.2: A 71 HIS : no HE2:sc= -7.68! C(o=-7.3!,f=-6.1!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -122:sc= -0.0459 (180deg=-1.05) USER MOD Set 2.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 23 THR OG1 : rot 180:sc= 0.431 USER MOD Set 3.2: A 27 CYS SG : rot 170:sc= -3.43! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 49:sc= 1.03 USER MOD Single : A 13 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.71) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0308 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.837 K(o=-0.84,f=-0.11) USER MOD Single : A 40 TYR OH : rot 56:sc= -1.39! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.27! X(o=-1.3!,f=-1.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0784 USER MOD Single : A 56 ASN : amide:sc= 0.0121 K(o=0.012,f=-1.6) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -0.469 (180deg=-6.04!) USER MOD Single : A 73 ASN : amide:sc= -3.52! K(o=-3.5!,f=-1) USER MOD Single : A 75 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.8!) USER MOD Single : A 78 MET CE :methyl 160:sc= -3.98! (180deg=-4.85!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.227 (180deg=-1.68) USER MOD Single : A 80 HIS : no HE2:sc= -12.6! C(o=-13!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 0.0138 (180deg=0.00262) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.32) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 22:sc= 0.00299 USER MOD Single : A 98 SER OG : rot -72:sc= 0.0472 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.071 5.164 7.484 1.00 0.00 N ATOM 2 CA GLY A 1 39.662 6.132 8.393 1.00 0.00 C ATOM 3 C GLY A 1 38.587 7.023 9.020 1.00 0.00 C ATOM 4 O GLY A 1 38.506 8.212 8.715 1.00 0.00 O ATOM 0 H1 GLY A 1 39.820 4.572 7.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.402 4.562 8.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.568 5.664 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.211 5.611 9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.382 6.749 7.855 1.00 0.00 H new ATOM 8 N SER A 2 37.790 6.413 9.884 1.00 0.00 N ATOM 9 CA SER A 2 36.724 7.136 10.557 1.00 0.00 C ATOM 10 C SER A 2 36.900 7.037 12.073 1.00 0.00 C ATOM 11 O SER A 2 36.490 6.053 12.687 1.00 0.00 O ATOM 12 CB SER A 2 35.351 6.600 10.147 1.00 0.00 C ATOM 13 OG SER A 2 34.311 7.096 10.986 1.00 0.00 O ATOM 0 H SER A 2 37.861 5.427 10.134 1.00 0.00 H new ATOM 0 HA SER A 2 36.780 8.183 10.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.147 6.879 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.360 5.511 10.187 1.00 0.00 H new ATOM 0 HG SER A 2 33.451 6.732 10.690 1.00 0.00 H new ATOM 19 N SER A 3 37.511 8.070 12.634 1.00 0.00 N ATOM 20 CA SER A 3 37.747 8.112 14.067 1.00 0.00 C ATOM 21 C SER A 3 36.746 9.057 14.735 1.00 0.00 C ATOM 22 O SER A 3 36.979 10.262 14.811 1.00 0.00 O ATOM 23 CB SER A 3 39.180 8.553 14.377 1.00 0.00 C ATOM 24 OG SER A 3 40.009 7.453 14.741 1.00 0.00 O ATOM 0 H SER A 3 37.850 8.884 12.122 1.00 0.00 H new ATOM 0 HA SER A 3 37.610 7.107 14.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 39.602 9.053 13.505 1.00 0.00 H new ATOM 0 HB3 SER A 3 39.168 9.282 15.187 1.00 0.00 H new ATOM 0 HG SER A 3 40.915 7.775 14.929 1.00 0.00 H new ATOM 30 N GLY A 4 35.652 8.474 15.202 1.00 0.00 N ATOM 31 CA GLY A 4 34.614 9.248 15.861 1.00 0.00 C ATOM 32 C GLY A 4 33.238 8.611 15.653 1.00 0.00 C ATOM 33 O GLY A 4 32.975 8.022 14.605 1.00 0.00 O ATOM 0 H GLY A 4 35.462 7.474 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.829 9.317 16.927 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.610 10.265 15.470 1.00 0.00 H new ATOM 37 N SER A 5 32.397 8.751 16.667 1.00 0.00 N ATOM 38 CA SER A 5 31.055 8.196 16.607 1.00 0.00 C ATOM 39 C SER A 5 30.317 8.472 17.919 1.00 0.00 C ATOM 40 O SER A 5 30.465 7.728 18.887 1.00 0.00 O ATOM 41 CB SER A 5 31.093 6.693 16.326 1.00 0.00 C ATOM 42 OG SER A 5 30.059 6.292 15.431 1.00 0.00 O ATOM 0 H SER A 5 32.618 9.240 17.534 1.00 0.00 H new ATOM 0 HA SER A 5 30.521 8.678 15.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.062 6.427 15.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.994 6.146 17.264 1.00 0.00 H new ATOM 0 HG SER A 5 30.118 5.326 15.275 1.00 0.00 H new ATOM 48 N SER A 6 29.537 9.544 17.907 1.00 0.00 N ATOM 49 CA SER A 6 28.775 9.927 19.084 1.00 0.00 C ATOM 50 C SER A 6 27.856 11.104 18.751 1.00 0.00 C ATOM 51 O SER A 6 28.102 11.837 17.794 1.00 0.00 O ATOM 52 CB SER A 6 29.702 10.290 20.246 1.00 0.00 C ATOM 53 OG SER A 6 29.176 9.865 21.500 1.00 0.00 O ATOM 0 H SER A 6 29.417 10.158 17.102 1.00 0.00 H new ATOM 0 HA SER A 6 28.168 9.075 19.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.678 9.832 20.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.856 11.369 20.264 1.00 0.00 H new ATOM 0 HG SER A 6 29.797 10.113 22.216 1.00 0.00 H new ATOM 59 N GLY A 7 26.816 11.249 19.559 1.00 0.00 N ATOM 60 CA GLY A 7 25.859 12.324 19.362 1.00 0.00 C ATOM 61 C GLY A 7 24.533 12.011 20.057 1.00 0.00 C ATOM 62 O GLY A 7 24.013 10.902 19.941 1.00 0.00 O ATOM 0 H GLY A 7 26.615 10.639 20.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.268 13.256 19.753 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.689 12.473 18.296 1.00 0.00 H new ATOM 66 N ASN A 8 24.023 13.008 20.765 1.00 0.00 N ATOM 67 CA ASN A 8 22.766 12.853 21.479 1.00 0.00 C ATOM 68 C ASN A 8 21.736 13.830 20.907 1.00 0.00 C ATOM 69 O ASN A 8 21.840 15.038 21.113 1.00 0.00 O ATOM 70 CB ASN A 8 22.937 13.163 22.967 1.00 0.00 C ATOM 71 CG ASN A 8 23.565 11.980 23.706 1.00 0.00 C ATOM 72 OD1 ASN A 8 24.390 11.253 23.177 1.00 0.00 O ATOM 73 ND2 ASN A 8 23.130 11.828 24.953 1.00 0.00 N ATOM 0 H ASN A 8 24.457 13.926 20.860 1.00 0.00 H new ATOM 0 HA ASN A 8 22.436 11.821 21.361 1.00 0.00 H new ATOM 0 HB2 ASN A 8 23.564 14.046 23.088 1.00 0.00 H new ATOM 0 HB3 ASN A 8 21.968 13.398 23.407 1.00 0.00 H new ATOM 0 HD21 ASN A 8 23.489 11.066 25.529 1.00 0.00 H new ATOM 0 HD22 ASN A 8 22.438 12.473 25.334 1.00 0.00 H new ATOM 80 N LEU A 9 20.766 13.270 20.201 1.00 0.00 N ATOM 81 CA LEU A 9 19.718 14.076 19.598 1.00 0.00 C ATOM 82 C LEU A 9 18.600 13.159 19.095 1.00 0.00 C ATOM 83 O LEU A 9 18.770 12.456 18.101 1.00 0.00 O ATOM 84 CB LEU A 9 20.299 14.988 18.516 1.00 0.00 C ATOM 85 CG LEU A 9 19.759 16.419 18.484 1.00 0.00 C ATOM 86 CD1 LEU A 9 20.840 17.422 18.894 1.00 0.00 C ATOM 87 CD2 LEU A 9 19.161 16.749 17.115 1.00 0.00 C ATOM 0 H LEU A 9 20.683 12.267 20.033 1.00 0.00 H new ATOM 0 HA LEU A 9 19.275 14.741 20.339 1.00 0.00 H new ATOM 0 HB2 LEU A 9 21.380 15.032 18.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.114 14.529 17.545 1.00 0.00 H new ATOM 0 HG LEU A 9 18.954 16.497 19.214 1.00 0.00 H new ATOM 0 HD11 LEU A 9 20.430 18.432 18.863 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.179 17.199 19.906 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.682 17.351 18.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.784 17.772 17.119 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.929 16.648 16.349 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.342 16.062 16.900 1.00 0.00 H new ATOM 99 N SER A 10 17.483 13.197 19.806 1.00 0.00 N ATOM 100 CA SER A 10 16.338 12.378 19.444 1.00 0.00 C ATOM 101 C SER A 10 15.049 13.030 19.948 1.00 0.00 C ATOM 102 O SER A 10 15.093 13.971 20.739 1.00 0.00 O ATOM 103 CB SER A 10 16.473 10.963 20.009 1.00 0.00 C ATOM 104 OG SER A 10 16.745 10.005 18.989 1.00 0.00 O ATOM 0 H SER A 10 17.346 13.782 20.631 1.00 0.00 H new ATOM 0 HA SER A 10 16.300 12.304 18.357 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.274 10.943 20.748 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.554 10.690 20.527 1.00 0.00 H new ATOM 0 HG SER A 10 16.826 9.114 19.390 1.00 0.00 H new ATOM 110 N ALA A 11 13.931 12.503 19.469 1.00 0.00 N ATOM 111 CA ALA A 11 12.632 13.022 19.861 1.00 0.00 C ATOM 112 C ALA A 11 11.610 11.884 19.854 1.00 0.00 C ATOM 113 O ALA A 11 11.660 11.005 18.994 1.00 0.00 O ATOM 114 CB ALA A 11 12.236 14.167 18.926 1.00 0.00 C ATOM 0 H ALA A 11 13.898 11.722 18.813 1.00 0.00 H new ATOM 0 HA ALA A 11 12.669 13.426 20.873 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.261 14.556 19.220 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.979 14.962 18.990 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.185 13.799 17.901 1.00 0.00 H new ATOM 120 N SER A 12 10.706 11.936 20.821 1.00 0.00 N ATOM 121 CA SER A 12 9.674 10.920 20.937 1.00 0.00 C ATOM 122 C SER A 12 8.507 11.251 20.004 1.00 0.00 C ATOM 123 O SER A 12 7.468 11.733 20.451 1.00 0.00 O ATOM 124 CB SER A 12 9.181 10.798 22.380 1.00 0.00 C ATOM 125 OG SER A 12 8.522 11.982 22.822 1.00 0.00 O ATOM 0 H SER A 12 10.667 12.666 21.532 1.00 0.00 H new ATOM 0 HA SER A 12 10.104 9.961 20.646 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.498 9.952 22.459 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.026 10.588 23.035 1.00 0.00 H new ATOM 0 HG SER A 12 7.859 12.256 22.154 1.00 0.00 H new ATOM 131 N ASN A 13 8.719 10.978 18.725 1.00 0.00 N ATOM 132 CA ASN A 13 7.697 11.241 17.725 1.00 0.00 C ATOM 133 C ASN A 13 8.105 10.589 16.402 1.00 0.00 C ATOM 134 O ASN A 13 8.991 11.086 15.709 1.00 0.00 O ATOM 135 CB ASN A 13 7.537 12.743 17.483 1.00 0.00 C ATOM 136 CG ASN A 13 6.066 13.156 17.555 1.00 0.00 C ATOM 137 OD1 ASN A 13 5.295 12.664 18.362 1.00 0.00 O ATOM 138 ND2 ASN A 13 5.721 14.086 16.669 1.00 0.00 N ATOM 0 H ASN A 13 9.582 10.578 18.358 1.00 0.00 H new ATOM 0 HA ASN A 13 6.755 10.833 18.090 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.111 13.298 18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.944 13.003 16.506 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.761 14.429 16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.416 14.456 16.021 1.00 0.00 H new ATOM 145 N ARG A 14 7.439 9.486 16.093 1.00 0.00 N ATOM 146 CA ARG A 14 7.722 8.761 14.865 1.00 0.00 C ATOM 147 C ARG A 14 6.662 7.683 14.630 1.00 0.00 C ATOM 148 O ARG A 14 6.663 6.650 15.299 1.00 0.00 O ATOM 149 CB ARG A 14 9.103 8.106 14.918 1.00 0.00 C ATOM 150 CG ARG A 14 10.080 8.811 13.975 1.00 0.00 C ATOM 151 CD ARG A 14 11.457 8.964 14.626 1.00 0.00 C ATOM 152 NE ARG A 14 12.357 9.728 13.733 1.00 0.00 N ATOM 153 CZ ARG A 14 13.011 9.196 12.692 1.00 0.00 C ATOM 154 NH1 ARG A 14 12.870 7.894 12.406 1.00 0.00 N ATOM 155 NH2 ARG A 14 13.807 9.965 11.936 1.00 0.00 N ATOM 0 H ARG A 14 6.705 9.077 16.671 1.00 0.00 H new ATOM 0 HA ARG A 14 7.704 9.478 14.044 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.487 8.140 15.938 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.022 7.054 14.643 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.172 8.242 13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.689 9.793 13.708 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.361 9.476 15.583 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.883 7.982 14.831 1.00 0.00 H new ATOM 0 HE ARG A 14 12.487 10.722 13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.265 7.308 12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.368 7.489 11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.915 10.956 12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.305 9.559 11.143 1.00 0.00 H new ATOM 169 N ALA A 15 5.783 7.960 13.678 1.00 0.00 N ATOM 170 CA ALA A 15 4.720 7.026 13.347 1.00 0.00 C ATOM 171 C ALA A 15 4.517 7.008 11.830 1.00 0.00 C ATOM 172 O ALA A 15 4.266 8.047 11.222 1.00 0.00 O ATOM 173 CB ALA A 15 3.447 7.413 14.101 1.00 0.00 C ATOM 0 H ALA A 15 5.785 8.817 13.126 1.00 0.00 H new ATOM 0 HA ALA A 15 4.987 6.015 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.650 6.712 13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.636 7.382 15.174 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.147 8.421 13.814 1.00 0.00 H new ATOM 179 N LEU A 16 4.634 5.816 11.264 1.00 0.00 N ATOM 180 CA LEU A 16 4.466 5.650 9.830 1.00 0.00 C ATOM 181 C LEU A 16 3.006 5.306 9.528 1.00 0.00 C ATOM 182 O LEU A 16 2.292 4.802 10.393 1.00 0.00 O ATOM 183 CB LEU A 16 5.464 4.623 9.290 1.00 0.00 C ATOM 184 CG LEU A 16 6.939 4.900 9.589 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.815 3.721 9.160 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.391 6.214 8.950 1.00 0.00 C ATOM 0 H LEU A 16 4.843 4.956 11.772 1.00 0.00 H new ATOM 0 HA LEU A 16 4.688 6.582 9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.208 3.646 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.339 4.558 8.209 1.00 0.00 H new ATOM 0 HG LEU A 16 7.055 5.011 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.859 3.943 9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.511 2.825 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.701 3.554 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.443 6.387 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.258 6.158 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.794 7.036 9.346 1.00 0.00 H new ATOM 198 N PRO A 17 2.596 5.601 8.265 1.00 0.00 N ATOM 199 CA PRO A 17 1.234 5.328 7.839 1.00 0.00 C ATOM 200 C PRO A 17 1.024 3.833 7.595 1.00 0.00 C ATOM 201 O PRO A 17 1.987 3.071 7.522 1.00 0.00 O ATOM 202 CB PRO A 17 1.039 6.167 6.586 1.00 0.00 C ATOM 203 CG PRO A 17 2.435 6.515 6.096 1.00 0.00 C ATOM 204 CD PRO A 17 3.414 6.199 7.215 1.00 0.00 C ATOM 0 HA PRO A 17 0.496 5.589 8.597 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.486 5.613 5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.466 7.068 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.680 5.942 5.202 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.493 7.569 5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.191 5.512 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.916 7.100 7.568 1.00 0.00 H new ATOM 212 N VAL A 18 -0.241 3.456 7.475 1.00 0.00 N ATOM 213 CA VAL A 18 -0.589 2.065 7.241 1.00 0.00 C ATOM 214 C VAL A 18 -1.109 1.908 5.811 1.00 0.00 C ATOM 215 O VAL A 18 -2.136 2.483 5.453 1.00 0.00 O ATOM 216 CB VAL A 18 -1.590 1.592 8.297 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.045 0.158 8.016 1.00 0.00 C ATOM 218 CG2 VAL A 18 -1.002 1.715 9.704 1.00 0.00 C ATOM 0 H VAL A 18 -1.037 4.090 7.536 1.00 0.00 H new ATOM 0 HA VAL A 18 0.291 1.429 7.338 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.466 2.239 8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.756 -0.155 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.522 0.113 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.181 -0.507 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.734 1.372 10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.102 1.104 9.777 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.750 2.757 9.903 1.00 0.00 H new ATOM 228 N LEU A 19 -0.376 1.126 5.031 1.00 0.00 N ATOM 229 CA LEU A 19 -0.751 0.886 3.648 1.00 0.00 C ATOM 230 C LEU A 19 -1.391 -0.498 3.531 1.00 0.00 C ATOM 231 O LEU A 19 -0.719 -1.514 3.704 1.00 0.00 O ATOM 232 CB LEU A 19 0.452 1.087 2.724 1.00 0.00 C ATOM 233 CG LEU A 19 0.191 0.890 1.230 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.279 2.192 0.578 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.422 0.310 0.530 1.00 0.00 C ATOM 0 H LEU A 19 0.475 0.651 5.331 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.497 1.612 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.837 2.096 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.239 0.397 3.029 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.615 0.165 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.457 2.023 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.202 2.524 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.487 2.957 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.210 0.180 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.264 0.992 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.671 -0.655 0.971 1.00 0.00 H new ATOM 247 N THR A 20 -2.683 -0.495 3.237 1.00 0.00 N ATOM 248 CA THR A 20 -3.422 -1.738 3.094 1.00 0.00 C ATOM 249 C THR A 20 -3.144 -2.370 1.730 1.00 0.00 C ATOM 250 O THR A 20 -3.506 -1.810 0.696 1.00 0.00 O ATOM 251 CB THR A 20 -4.903 -1.438 3.334 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.893 -0.365 4.273 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.618 -2.571 4.072 1.00 0.00 C ATOM 0 H THR A 20 -3.237 0.349 3.094 1.00 0.00 H new ATOM 0 HA THR A 20 -3.101 -2.475 3.830 1.00 0.00 H new ATOM 0 HB THR A 20 -5.396 -1.259 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.814 -0.106 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.666 -2.307 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.552 -3.487 3.484 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.146 -2.728 5.042 1.00 0.00 H new ATOM 261 N LEU A 21 -2.503 -3.529 1.770 1.00 0.00 N ATOM 262 CA LEU A 21 -2.171 -4.244 0.549 1.00 0.00 C ATOM 263 C LEU A 21 -3.044 -5.496 0.443 1.00 0.00 C ATOM 264 O LEU A 21 -3.035 -6.340 1.338 1.00 0.00 O ATOM 265 CB LEU A 21 -0.670 -4.533 0.488 1.00 0.00 C ATOM 266 CG LEU A 21 -0.245 -5.682 -0.428 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.775 -5.476 -1.849 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.273 -5.870 -0.404 1.00 0.00 C ATOM 0 H LEU A 21 -2.205 -3.991 2.629 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.389 -3.629 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.159 -3.627 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.321 -4.751 1.497 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.689 -6.602 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.458 -6.307 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.864 -5.431 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.381 -4.544 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.548 -6.693 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.758 -4.955 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.596 -6.096 0.612 1.00 0.00 H new ATOM 280 N PHE A 22 -3.776 -5.577 -0.658 1.00 0.00 N ATOM 281 CA PHE A 22 -4.652 -6.712 -0.892 1.00 0.00 C ATOM 282 C PHE A 22 -4.183 -7.528 -2.099 1.00 0.00 C ATOM 283 O PHE A 22 -4.326 -7.091 -3.240 1.00 0.00 O ATOM 284 CB PHE A 22 -6.046 -6.150 -1.181 1.00 0.00 C ATOM 285 CG PHE A 22 -6.713 -5.489 0.026 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.326 -6.256 0.968 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.695 -4.136 0.158 1.00 0.00 C ATOM 288 CE1 PHE A 22 -7.945 -5.643 2.089 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.315 -3.523 1.278 1.00 0.00 C ATOM 290 CZ PHE A 22 -7.927 -4.289 2.221 1.00 0.00 C ATOM 0 H PHE A 22 -3.780 -4.875 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.651 -7.368 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.972 -5.420 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.685 -6.957 -1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.342 -7.331 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.209 -3.527 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.430 -6.252 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.301 -2.448 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.398 -3.823 3.074 1.00 0.00 H new ATOM 300 N THR A 23 -3.634 -8.697 -1.805 1.00 0.00 N ATOM 301 CA THR A 23 -3.143 -9.577 -2.852 1.00 0.00 C ATOM 302 C THR A 23 -3.848 -10.933 -2.783 1.00 0.00 C ATOM 303 O THR A 23 -4.289 -11.353 -1.714 1.00 0.00 O ATOM 304 CB THR A 23 -1.623 -9.674 -2.714 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.265 -10.758 -3.567 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.190 -10.137 -1.322 1.00 0.00 C ATOM 0 H THR A 23 -3.518 -9.055 -0.857 1.00 0.00 H new ATOM 0 HA THR A 23 -3.369 -9.179 -3.841 1.00 0.00 H new ATOM 0 HB THR A 23 -1.177 -8.703 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.294 -10.889 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.102 -10.189 -1.278 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.550 -9.430 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.609 -11.123 -1.120 1.00 0.00 H new ATOM 314 N LYS A 24 -3.931 -11.581 -3.935 1.00 0.00 N ATOM 315 CA LYS A 24 -4.574 -12.881 -4.019 1.00 0.00 C ATOM 316 C LYS A 24 -3.734 -13.805 -4.902 1.00 0.00 C ATOM 317 O LYS A 24 -3.499 -13.508 -6.072 1.00 0.00 O ATOM 318 CB LYS A 24 -6.023 -12.733 -4.487 1.00 0.00 C ATOM 319 CG LYS A 24 -6.089 -12.064 -5.862 1.00 0.00 C ATOM 320 CD LYS A 24 -7.498 -12.160 -6.451 1.00 0.00 C ATOM 321 CE LYS A 24 -7.610 -13.344 -7.414 1.00 0.00 C ATOM 322 NZ LYS A 24 -8.062 -14.556 -6.694 1.00 0.00 N ATOM 0 H LYS A 24 -3.563 -11.230 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.627 -13.344 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.496 -13.714 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.584 -12.142 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.798 -11.017 -5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.376 -12.539 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.225 -12.271 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.741 -11.236 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.312 -13.105 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.644 -13.531 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.358 -15.313 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.171 -14.339 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.975 -14.869 -7.081 1.00 0.00 H new ATOM 336 N ALA A 25 -3.303 -14.908 -4.307 1.00 0.00 N ATOM 337 CA ALA A 25 -2.494 -15.878 -5.025 1.00 0.00 C ATOM 338 C ALA A 25 -3.411 -16.881 -5.728 1.00 0.00 C ATOM 339 O ALA A 25 -4.402 -17.330 -5.154 1.00 0.00 O ATOM 340 CB ALA A 25 -1.526 -16.556 -4.052 1.00 0.00 C ATOM 0 H ALA A 25 -3.499 -15.151 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.895 -15.386 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.919 -17.284 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.877 -15.805 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.092 -17.063 -3.270 1.00 0.00 H new ATOM 346 N PRO A 26 -3.038 -17.211 -6.994 1.00 0.00 N ATOM 347 CA PRO A 26 -1.850 -16.634 -7.599 1.00 0.00 C ATOM 348 C PRO A 26 -2.097 -15.182 -8.014 1.00 0.00 C ATOM 349 O PRO A 26 -3.242 -14.739 -8.086 1.00 0.00 O ATOM 350 CB PRO A 26 -1.527 -17.541 -8.775 1.00 0.00 C ATOM 351 CG PRO A 26 -2.802 -18.317 -9.065 1.00 0.00 C ATOM 352 CD PRO A 26 -3.735 -18.140 -7.878 1.00 0.00 C ATOM 0 HA PRO A 26 -1.008 -16.584 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.218 -16.959 -9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.705 -18.216 -8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.272 -17.952 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.579 -19.372 -9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.701 -17.741 -8.189 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.928 -19.091 -7.381 1.00 0.00 H new ATOM 360 N CYS A 27 -1.003 -14.481 -8.275 1.00 0.00 N ATOM 361 CA CYS A 27 -1.087 -13.088 -8.680 1.00 0.00 C ATOM 362 C CYS A 27 0.298 -12.642 -9.153 1.00 0.00 C ATOM 363 O CYS A 27 1.219 -12.505 -8.349 1.00 0.00 O ATOM 364 CB CYS A 27 -1.617 -12.201 -7.552 1.00 0.00 C ATOM 365 SG CYS A 27 -0.897 -12.724 -5.953 1.00 0.00 S ATOM 0 H CYS A 27 -0.055 -14.851 -8.214 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.800 -12.987 -9.498 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.366 -11.159 -7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.704 -12.265 -7.509 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.179 -11.842 -5.041 1.00 0.00 H new ATOM 371 N PRO A 28 0.405 -12.422 -10.491 1.00 0.00 N ATOM 372 CA PRO A 28 1.662 -11.994 -11.081 1.00 0.00 C ATOM 373 C PRO A 28 1.934 -10.519 -10.782 1.00 0.00 C ATOM 374 O PRO A 28 3.088 -10.099 -10.708 1.00 0.00 O ATOM 375 CB PRO A 28 1.518 -12.282 -12.567 1.00 0.00 C ATOM 376 CG PRO A 28 0.026 -12.425 -12.820 1.00 0.00 C ATOM 377 CD PRO A 28 -0.664 -12.574 -11.474 1.00 0.00 C ATOM 0 HA PRO A 28 2.521 -12.522 -10.668 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.940 -11.474 -13.164 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.050 -13.193 -12.842 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.356 -11.553 -13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.173 -13.293 -13.449 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.437 -11.817 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.150 -13.545 -11.383 1.00 0.00 H new ATOM 385 N LEU A 29 0.852 -9.772 -10.618 1.00 0.00 N ATOM 386 CA LEU A 29 0.960 -8.352 -10.328 1.00 0.00 C ATOM 387 C LEU A 29 1.123 -8.155 -8.820 1.00 0.00 C ATOM 388 O LEU A 29 2.173 -7.711 -8.358 1.00 0.00 O ATOM 389 CB LEU A 29 -0.228 -7.592 -10.923 1.00 0.00 C ATOM 390 CG LEU A 29 -0.620 -7.973 -12.352 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.820 -7.153 -12.828 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.574 -7.846 -13.300 1.00 0.00 C ATOM 0 H LEU A 29 -0.104 -10.123 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 29 1.847 -7.932 -10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.092 -7.746 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.000 -6.526 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.924 -9.020 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.078 -7.443 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.670 -7.338 -12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.568 -6.093 -12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.268 -8.123 -14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.932 -6.816 -13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.374 -8.508 -12.969 1.00 0.00 H new ATOM 404 N CYS A 30 0.068 -8.494 -8.093 1.00 0.00 N ATOM 405 CA CYS A 30 0.081 -8.359 -6.647 1.00 0.00 C ATOM 406 C CYS A 30 1.424 -8.878 -6.128 1.00 0.00 C ATOM 407 O CYS A 30 1.929 -8.399 -5.114 1.00 0.00 O ATOM 408 CB CYS A 30 -1.100 -9.086 -6.000 1.00 0.00 C ATOM 409 SG CYS A 30 -2.664 -8.573 -6.799 1.00 0.00 S ATOM 0 H CYS A 30 -0.801 -8.862 -8.479 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.031 -7.309 -6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.970 -10.164 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.136 -8.862 -4.934 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.660 -9.198 -6.244 1.00 0.00 H new ATOM 415 N ASP A 31 1.964 -9.851 -6.848 1.00 0.00 N ATOM 416 CA ASP A 31 3.238 -10.440 -6.473 1.00 0.00 C ATOM 417 C ASP A 31 4.352 -9.413 -6.686 1.00 0.00 C ATOM 418 O ASP A 31 5.175 -9.191 -5.798 1.00 0.00 O ATOM 419 CB ASP A 31 3.554 -11.665 -7.334 1.00 0.00 C ATOM 420 CG ASP A 31 5.038 -12.024 -7.429 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.766 -11.256 -8.095 1.00 0.00 O ATOM 422 OD2 ASP A 31 5.411 -13.058 -6.834 1.00 0.00 O ATOM 0 H ASP A 31 1.542 -10.246 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 31 3.175 -10.741 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.014 -12.522 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.173 -11.491 -8.340 1.00 0.00 H new ATOM 427 N GLU A 32 4.343 -8.814 -7.867 1.00 0.00 N ATOM 428 CA GLU A 32 5.343 -7.815 -8.208 1.00 0.00 C ATOM 429 C GLU A 32 5.136 -6.550 -7.372 1.00 0.00 C ATOM 430 O GLU A 32 6.091 -5.997 -6.830 1.00 0.00 O ATOM 431 CB GLU A 32 5.311 -7.496 -9.704 1.00 0.00 C ATOM 432 CG GLU A 32 6.726 -7.304 -10.254 1.00 0.00 C ATOM 433 CD GLU A 32 7.034 -8.331 -11.345 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.846 -9.534 -11.062 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.450 -7.890 -12.438 1.00 0.00 O ATOM 0 H GLU A 32 3.659 -9.001 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 32 6.328 -8.221 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.815 -8.304 -10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.725 -6.593 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.829 -6.297 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.450 -7.399 -9.445 1.00 0.00 H new ATOM 442 N ALA A 33 3.882 -6.129 -7.295 1.00 0.00 N ATOM 443 CA ALA A 33 3.537 -4.940 -6.535 1.00 0.00 C ATOM 444 C ALA A 33 4.379 -4.895 -5.258 1.00 0.00 C ATOM 445 O ALA A 33 5.110 -3.933 -5.026 1.00 0.00 O ATOM 446 CB ALA A 33 2.035 -4.937 -6.244 1.00 0.00 C ATOM 0 H ALA A 33 3.092 -6.590 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 33 3.759 -4.040 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.777 -4.045 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.482 -4.940 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.774 -5.824 -5.667 1.00 0.00 H new ATOM 452 N LYS A 34 4.247 -5.946 -4.463 1.00 0.00 N ATOM 453 CA LYS A 34 4.986 -6.038 -3.215 1.00 0.00 C ATOM 454 C LYS A 34 6.449 -5.669 -3.466 1.00 0.00 C ATOM 455 O LYS A 34 7.021 -4.855 -2.742 1.00 0.00 O ATOM 456 CB LYS A 34 4.800 -7.419 -2.583 1.00 0.00 C ATOM 457 CG LYS A 34 3.361 -7.612 -2.101 1.00 0.00 C ATOM 458 CD LYS A 34 2.895 -9.051 -2.327 1.00 0.00 C ATOM 459 CE LYS A 34 3.053 -9.885 -1.054 1.00 0.00 C ATOM 460 NZ LYS A 34 4.196 -10.816 -1.183 1.00 0.00 N ATOM 0 H LYS A 34 3.639 -6.742 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 34 4.597 -5.325 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.051 -8.192 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.487 -7.535 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.293 -7.366 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.701 -6.925 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.851 -9.054 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.472 -9.501 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.207 -9.228 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.138 -10.447 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.289 -11.374 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.034 -11.455 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.069 -10.274 -1.342 1.00 0.00 H new ATOM 474 N GLU A 35 7.014 -6.286 -4.494 1.00 0.00 N ATOM 475 CA GLU A 35 8.400 -6.032 -4.849 1.00 0.00 C ATOM 476 C GLU A 35 8.619 -4.538 -5.099 1.00 0.00 C ATOM 477 O GLU A 35 9.726 -4.031 -4.923 1.00 0.00 O ATOM 478 CB GLU A 35 8.814 -6.858 -6.068 1.00 0.00 C ATOM 479 CG GLU A 35 8.325 -8.303 -5.943 1.00 0.00 C ATOM 480 CD GLU A 35 9.144 -9.238 -6.835 1.00 0.00 C ATOM 481 OE1 GLU A 35 8.768 -9.365 -8.020 1.00 0.00 O ATOM 482 OE2 GLU A 35 10.128 -9.804 -6.312 1.00 0.00 O ATOM 0 H GLU A 35 6.537 -6.961 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 35 9.030 -6.337 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.404 -6.409 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.899 -6.845 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.399 -8.627 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.272 -8.360 -6.220 1.00 0.00 H new ATOM 489 N VAL A 36 7.546 -3.875 -5.506 1.00 0.00 N ATOM 490 CA VAL A 36 7.608 -2.450 -5.782 1.00 0.00 C ATOM 491 C VAL A 36 7.511 -1.676 -4.467 1.00 0.00 C ATOM 492 O VAL A 36 7.856 -0.496 -4.410 1.00 0.00 O ATOM 493 CB VAL A 36 6.518 -2.064 -6.785 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.721 -0.635 -7.292 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.466 -3.057 -7.948 1.00 0.00 C ATOM 0 H VAL A 36 6.629 -4.298 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 36 8.562 -2.191 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 36 5.559 -2.103 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.933 -0.386 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.684 0.058 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.691 -0.558 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.683 -2.759 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.427 -3.065 -8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.251 -4.055 -7.565 1.00 0.00 H new ATOM 505 N LEU A 37 7.040 -2.370 -3.441 1.00 0.00 N ATOM 506 CA LEU A 37 6.894 -1.762 -2.130 1.00 0.00 C ATOM 507 C LEU A 37 8.043 -2.220 -1.229 1.00 0.00 C ATOM 508 O LEU A 37 8.023 -1.983 -0.022 1.00 0.00 O ATOM 509 CB LEU A 37 5.507 -2.057 -1.554 1.00 0.00 C ATOM 510 CG LEU A 37 4.324 -1.451 -2.311 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.055 -1.476 -1.457 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.654 -0.042 -2.807 1.00 0.00 C ATOM 0 H LEU A 37 6.755 -3.348 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 37 6.959 -0.677 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.373 -3.138 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.478 -1.696 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 37 4.131 -2.065 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.229 -1.039 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.812 -2.506 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.218 -0.900 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.796 0.366 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.889 0.598 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.513 -0.084 -3.477 1.00 0.00 H new ATOM 524 N GLN A 38 9.019 -2.866 -1.851 1.00 0.00 N ATOM 525 CA GLN A 38 10.174 -3.359 -1.121 1.00 0.00 C ATOM 526 C GLN A 38 10.928 -2.196 -0.474 1.00 0.00 C ATOM 527 O GLN A 38 11.215 -2.226 0.722 1.00 0.00 O ATOM 528 CB GLN A 38 11.096 -4.168 -2.036 1.00 0.00 C ATOM 529 CG GLN A 38 10.941 -5.669 -1.781 1.00 0.00 C ATOM 530 CD GLN A 38 12.305 -6.340 -1.606 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.485 -7.236 -0.798 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.252 -5.857 -2.405 1.00 0.00 N ATOM 0 H GLN A 38 9.033 -3.059 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 38 9.824 -4.024 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.866 -3.947 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.132 -3.872 -1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.336 -5.829 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.409 -6.130 -2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.033 -5.106 -3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.197 -6.238 -2.364 1.00 0.00 H new ATOM 541 N PRO A 39 11.236 -1.171 -1.314 1.00 0.00 N ATOM 542 CA PRO A 39 11.951 0.000 -0.835 1.00 0.00 C ATOM 543 C PRO A 39 11.032 0.905 -0.012 1.00 0.00 C ATOM 544 O PRO A 39 11.468 1.934 0.502 1.00 0.00 O ATOM 545 CB PRO A 39 12.483 0.675 -2.089 1.00 0.00 C ATOM 546 CG PRO A 39 11.660 0.122 -3.241 1.00 0.00 C ATOM 547 CD PRO A 39 10.913 -1.101 -2.735 1.00 0.00 C ATOM 0 HA PRO A 39 12.767 -0.252 -0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.383 1.758 -2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.543 0.461 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.960 0.874 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.305 -0.144 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.839 -1.002 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.230 -2.003 -3.258 1.00 0.00 H new ATOM 555 N TYR A 40 9.778 0.489 0.086 1.00 0.00 N ATOM 556 CA TYR A 40 8.794 1.250 0.838 1.00 0.00 C ATOM 557 C TYR A 40 8.280 0.448 2.035 1.00 0.00 C ATOM 558 O TYR A 40 7.402 0.908 2.763 1.00 0.00 O ATOM 559 CB TYR A 40 7.634 1.506 -0.126 1.00 0.00 C ATOM 560 CG TYR A 40 8.010 2.355 -1.342 1.00 0.00 C ATOM 561 CD1 TYR A 40 7.912 3.730 -1.280 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.448 1.746 -2.500 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.267 4.529 -2.424 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.802 2.545 -3.644 1.00 0.00 C ATOM 565 CZ TYR A 40 8.694 3.897 -3.550 1.00 0.00 C ATOM 566 OH TYR A 40 9.029 4.652 -4.631 1.00 0.00 O ATOM 0 H TYR A 40 9.421 -0.365 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 40 9.231 2.172 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.244 0.548 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.828 2.002 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.569 4.207 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.525 0.670 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.196 5.606 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.146 2.081 -4.557 1.00 0.00 H new ATOM 0 HH TYR A 40 9.719 5.300 -4.377 1.00 0.00 H new ATOM 576 N LYS A 41 8.849 -0.737 2.202 1.00 0.00 N ATOM 577 CA LYS A 41 8.459 -1.606 3.299 1.00 0.00 C ATOM 578 C LYS A 41 8.691 -0.882 4.626 1.00 0.00 C ATOM 579 O LYS A 41 7.966 -1.105 5.594 1.00 0.00 O ATOM 580 CB LYS A 41 9.180 -2.952 3.198 1.00 0.00 C ATOM 581 CG LYS A 41 10.641 -2.825 3.633 1.00 0.00 C ATOM 582 CD LYS A 41 11.331 -4.190 3.642 1.00 0.00 C ATOM 583 CE LYS A 41 12.681 -4.128 2.925 1.00 0.00 C ATOM 584 NZ LYS A 41 13.791 -4.236 3.898 1.00 0.00 N ATOM 0 H LYS A 41 9.577 -1.115 1.596 1.00 0.00 H new ATOM 0 HA LYS A 41 7.395 -1.835 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.673 -3.688 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.133 -3.318 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.168 -2.152 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.691 -2.382 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.476 -4.521 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.692 -4.928 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.749 -4.935 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.763 -3.192 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.700 -4.192 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.734 -3.451 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.720 -5.141 4.406 1.00 0.00 H new ATOM 598 N ASP A 42 9.706 -0.030 4.628 1.00 0.00 N ATOM 599 CA ASP A 42 10.043 0.729 5.821 1.00 0.00 C ATOM 600 C ASP A 42 9.359 2.096 5.761 1.00 0.00 C ATOM 601 O ASP A 42 9.253 2.787 6.773 1.00 0.00 O ATOM 602 CB ASP A 42 11.552 0.959 5.919 1.00 0.00 C ATOM 603 CG ASP A 42 12.152 1.805 4.794 1.00 0.00 C ATOM 604 OD1 ASP A 42 12.128 3.046 4.943 1.00 0.00 O ATOM 605 OD2 ASP A 42 12.621 1.192 3.811 1.00 0.00 O ATOM 0 H ASP A 42 10.306 0.152 3.823 1.00 0.00 H new ATOM 0 HA ASP A 42 9.708 0.160 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.770 1.442 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.052 -0.010 5.931 1.00 0.00 H new ATOM 610 N ARG A 43 8.913 2.447 4.563 1.00 0.00 N ATOM 611 CA ARG A 43 8.243 3.720 4.357 1.00 0.00 C ATOM 612 C ARG A 43 6.866 3.709 5.025 1.00 0.00 C ATOM 613 O ARG A 43 6.214 4.746 5.128 1.00 0.00 O ATOM 614 CB ARG A 43 8.077 4.020 2.866 1.00 0.00 C ATOM 615 CG ARG A 43 9.406 4.446 2.241 1.00 0.00 C ATOM 616 CD ARG A 43 9.806 5.848 2.704 1.00 0.00 C ATOM 617 NE ARG A 43 10.649 5.760 3.917 1.00 0.00 N ATOM 618 CZ ARG A 43 11.280 6.804 4.471 1.00 0.00 C ATOM 619 NH1 ARG A 43 11.166 8.022 3.925 1.00 0.00 N ATOM 620 NH2 ARG A 43 12.024 6.630 5.572 1.00 0.00 N ATOM 0 H ARG A 43 9.003 1.872 3.725 1.00 0.00 H new ATOM 0 HA ARG A 43 8.862 4.497 4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.697 3.136 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.338 4.809 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.185 3.733 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.323 4.428 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.349 6.361 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.914 6.439 2.913 1.00 0.00 H new ATOM 0 HE ARG A 43 10.756 4.847 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.599 8.154 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.646 8.817 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.110 5.703 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.504 7.425 5.994 1.00 0.00 H new ATOM 634 N PHE A 44 6.466 2.524 5.462 1.00 0.00 N ATOM 635 CA PHE A 44 5.179 2.364 6.117 1.00 0.00 C ATOM 636 C PHE A 44 4.914 0.896 6.456 1.00 0.00 C ATOM 637 O PHE A 44 5.701 0.021 6.097 1.00 0.00 O ATOM 638 CB PHE A 44 4.112 2.847 5.132 1.00 0.00 C ATOM 639 CG PHE A 44 4.257 2.267 3.724 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.139 0.927 3.525 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.505 3.092 2.671 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.273 0.389 2.218 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.640 2.553 1.364 1.00 0.00 C ATOM 644 CZ PHE A 44 4.521 1.213 1.165 1.00 0.00 C ATOM 0 H PHE A 44 7.010 1.666 5.375 1.00 0.00 H new ATOM 0 HA PHE A 44 5.163 2.933 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.128 2.586 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.153 3.935 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.943 0.272 4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.599 4.156 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.178 -0.675 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.837 3.208 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.623 0.803 0.171 1.00 0.00 H new ATOM 654 N ILE A 45 3.805 0.671 7.145 1.00 0.00 N ATOM 655 CA ILE A 45 3.427 -0.677 7.537 1.00 0.00 C ATOM 656 C ILE A 45 2.539 -1.289 6.451 1.00 0.00 C ATOM 657 O ILE A 45 1.340 -1.020 6.401 1.00 0.00 O ATOM 658 CB ILE A 45 2.786 -0.671 8.925 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.808 -0.299 10.001 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.105 -2.009 9.220 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.114 0.222 11.261 1.00 0.00 C ATOM 0 H ILE A 45 3.156 1.399 7.442 1.00 0.00 H new ATOM 0 HA ILE A 45 4.310 -1.311 7.622 1.00 0.00 H new ATOM 0 HB ILE A 45 2.011 0.095 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.413 -1.171 10.249 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.487 0.461 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.657 -1.978 10.213 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.329 -2.194 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.843 -2.810 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.864 0.479 12.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.529 1.108 11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.454 -0.549 11.658 1.00 0.00 H new ATOM 673 N LEU A 46 3.163 -2.099 5.609 1.00 0.00 N ATOM 674 CA LEU A 46 2.444 -2.752 4.528 1.00 0.00 C ATOM 675 C LEU A 46 1.534 -3.836 5.107 1.00 0.00 C ATOM 676 O LEU A 46 2.015 -4.851 5.610 1.00 0.00 O ATOM 677 CB LEU A 46 3.422 -3.269 3.470 1.00 0.00 C ATOM 678 CG LEU A 46 2.792 -3.922 2.238 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.927 -2.921 1.469 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.862 -4.557 1.347 1.00 0.00 C ATOM 0 H LEU A 46 4.158 -2.318 5.653 1.00 0.00 H new ATOM 0 HA LEU A 46 1.801 -2.039 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.042 -2.436 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.087 -3.993 3.941 1.00 0.00 H new ATOM 0 HG LEU A 46 2.135 -4.724 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.491 -3.411 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.130 -2.556 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.543 -2.083 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.388 -5.014 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.562 -3.790 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.399 -5.320 1.911 1.00 0.00 H new ATOM 692 N GLN A 47 0.237 -3.585 5.018 1.00 0.00 N ATOM 693 CA GLN A 47 -0.745 -4.528 5.527 1.00 0.00 C ATOM 694 C GLN A 47 -1.190 -5.482 4.418 1.00 0.00 C ATOM 695 O GLN A 47 -1.985 -5.110 3.556 1.00 0.00 O ATOM 696 CB GLN A 47 -1.944 -3.797 6.135 1.00 0.00 C ATOM 697 CG GLN A 47 -2.428 -4.499 7.405 1.00 0.00 C ATOM 698 CD GLN A 47 -2.020 -5.974 7.405 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.640 -6.816 6.776 1.00 0.00 O ATOM 700 NE2 GLN A 47 -0.947 -6.238 8.144 1.00 0.00 N ATOM 0 H GLN A 47 -0.158 -2.742 4.601 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.279 -5.115 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.668 -2.768 6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.755 -3.753 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.011 -4.002 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.512 -4.418 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.475 -5.485 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.595 -7.193 8.210 1.00 0.00 H new ATOM 709 N GLU A 48 -0.658 -6.694 4.475 1.00 0.00 N ATOM 710 CA GLU A 48 -0.990 -7.705 3.485 1.00 0.00 C ATOM 711 C GLU A 48 -2.285 -8.423 3.873 1.00 0.00 C ATOM 712 O GLU A 48 -2.274 -9.312 4.723 1.00 0.00 O ATOM 713 CB GLU A 48 0.158 -8.701 3.311 1.00 0.00 C ATOM 714 CG GLU A 48 0.958 -8.399 2.042 1.00 0.00 C ATOM 715 CD GLU A 48 2.430 -8.778 2.219 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.672 -9.917 2.672 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.280 -7.920 1.897 1.00 0.00 O ATOM 0 H GLU A 48 0.001 -6.999 5.191 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.145 -7.209 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.816 -8.658 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.240 -9.715 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.535 -8.950 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.878 -7.339 1.801 1.00 0.00 H new ATOM 724 N VAL A 49 -3.368 -8.009 3.233 1.00 0.00 N ATOM 725 CA VAL A 49 -4.668 -8.602 3.500 1.00 0.00 C ATOM 726 C VAL A 49 -4.927 -9.727 2.497 1.00 0.00 C ATOM 727 O VAL A 49 -4.477 -9.661 1.354 1.00 0.00 O ATOM 728 CB VAL A 49 -5.750 -7.521 3.479 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.140 -8.133 3.661 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.479 -6.452 4.539 1.00 0.00 C ATOM 0 H VAL A 49 -3.373 -7.270 2.530 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.689 -9.044 4.496 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.721 -7.038 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.891 -7.343 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.335 -8.839 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.186 -8.654 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.263 -5.696 4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.466 -6.914 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.514 -5.984 4.345 1.00 0.00 H new ATOM 740 N ASP A 50 -5.650 -10.736 2.961 1.00 0.00 N ATOM 741 CA ASP A 50 -5.975 -11.874 2.119 1.00 0.00 C ATOM 742 C ASP A 50 -7.454 -11.814 1.735 1.00 0.00 C ATOM 743 O ASP A 50 -8.322 -12.143 2.542 1.00 0.00 O ATOM 744 CB ASP A 50 -5.730 -13.192 2.856 1.00 0.00 C ATOM 745 CG ASP A 50 -4.465 -13.943 2.437 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.376 -13.345 2.581 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.614 -15.098 1.982 1.00 0.00 O ATOM 0 H ASP A 50 -6.020 -10.789 3.910 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.339 -11.832 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.676 -12.988 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.590 -13.844 2.699 1.00 0.00 H new ATOM 752 N ILE A 51 -7.697 -11.392 0.503 1.00 0.00 N ATOM 753 CA ILE A 51 -9.057 -11.284 0.002 1.00 0.00 C ATOM 754 C ILE A 51 -9.549 -12.668 -0.425 1.00 0.00 C ATOM 755 O ILE A 51 -10.736 -12.855 -0.689 1.00 0.00 O ATOM 756 CB ILE A 51 -9.138 -10.233 -1.107 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.333 -10.667 -2.333 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.704 -8.859 -0.593 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.831 -9.959 -3.595 1.00 0.00 C ATOM 0 H ILE A 51 -6.974 -11.121 -0.164 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.726 -10.935 0.788 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.179 -10.146 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.278 -10.442 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.413 -11.746 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.771 -8.130 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.356 -8.554 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.675 -8.912 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.242 -10.285 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.880 -10.206 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.727 -8.881 -3.473 1.00 0.00 H new ATOM 771 N THR A 52 -8.612 -13.604 -0.479 1.00 0.00 N ATOM 772 CA THR A 52 -8.936 -14.966 -0.869 1.00 0.00 C ATOM 773 C THR A 52 -9.646 -15.694 0.274 1.00 0.00 C ATOM 774 O THR A 52 -10.001 -16.864 0.144 1.00 0.00 O ATOM 775 CB THR A 52 -7.642 -15.650 -1.315 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.719 -15.362 -0.268 1.00 0.00 O ATOM 777 CG2 THR A 52 -7.025 -14.988 -2.548 1.00 0.00 C ATOM 0 H THR A 52 -7.629 -13.446 -0.259 1.00 0.00 H new ATOM 0 HA THR A 52 -9.635 -14.983 -1.706 1.00 0.00 H new ATOM 0 HB THR A 52 -7.841 -16.700 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.852 -15.770 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.109 -15.512 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.731 -15.033 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.794 -13.946 -2.325 1.00 0.00 H new ATOM 785 N LEU A 53 -9.832 -14.970 1.369 1.00 0.00 N ATOM 786 CA LEU A 53 -10.493 -15.533 2.534 1.00 0.00 C ATOM 787 C LEU A 53 -11.993 -15.242 2.454 1.00 0.00 C ATOM 788 O LEU A 53 -12.416 -14.337 1.735 1.00 0.00 O ATOM 789 CB LEU A 53 -9.836 -15.026 3.819 1.00 0.00 C ATOM 790 CG LEU A 53 -8.489 -15.657 4.178 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.727 -14.790 5.182 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.672 -17.091 4.681 1.00 0.00 C ATOM 0 H LEU A 53 -9.537 -13.999 1.473 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.379 -16.617 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.698 -13.948 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.525 -15.194 4.647 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.884 -15.708 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.773 -15.262 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.547 -13.806 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.317 -14.684 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.700 -17.516 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.304 -17.087 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.143 -17.692 3.903 1.00 0.00 H new ATOM 804 N PRO A 54 -12.776 -16.045 3.222 1.00 0.00 N ATOM 805 CA PRO A 54 -14.220 -15.883 3.245 1.00 0.00 C ATOM 806 C PRO A 54 -14.620 -14.653 4.063 1.00 0.00 C ATOM 807 O PRO A 54 -15.560 -13.945 3.705 1.00 0.00 O ATOM 808 CB PRO A 54 -14.753 -17.182 3.826 1.00 0.00 C ATOM 809 CG PRO A 54 -13.577 -17.835 4.536 1.00 0.00 C ATOM 810 CD PRO A 54 -12.310 -17.126 4.086 1.00 0.00 C ATOM 0 HA PRO A 54 -14.639 -15.704 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.572 -16.992 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.144 -17.830 3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.694 -17.759 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.527 -18.897 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.750 -16.739 4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.646 -17.804 3.549 1.00 0.00 H new ATOM 818 N GLU A 55 -13.887 -14.438 5.145 1.00 0.00 N ATOM 819 CA GLU A 55 -14.154 -13.306 6.016 1.00 0.00 C ATOM 820 C GLU A 55 -13.717 -12.003 5.344 1.00 0.00 C ATOM 821 O GLU A 55 -14.180 -10.925 5.710 1.00 0.00 O ATOM 822 CB GLU A 55 -13.465 -13.482 7.371 1.00 0.00 C ATOM 823 CG GLU A 55 -11.943 -13.515 7.211 1.00 0.00 C ATOM 824 CD GLU A 55 -11.254 -13.686 8.566 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.070 -12.652 9.244 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.926 -14.847 8.894 1.00 0.00 O ATOM 0 H GLU A 55 -13.109 -15.028 5.439 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.228 -13.257 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.747 -12.665 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.805 -14.406 7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.661 -14.334 6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.603 -12.593 6.740 1.00 0.00 H new ATOM 833 N ASN A 56 -12.829 -12.146 4.371 1.00 0.00 N ATOM 834 CA ASN A 56 -12.323 -10.994 3.643 1.00 0.00 C ATOM 835 C ASN A 56 -12.944 -10.966 2.245 1.00 0.00 C ATOM 836 O ASN A 56 -12.554 -10.158 1.405 1.00 0.00 O ATOM 837 CB ASN A 56 -10.803 -11.067 3.484 1.00 0.00 C ATOM 838 CG ASN A 56 -10.106 -11.017 4.845 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.554 -10.371 5.778 1.00 0.00 O ATOM 840 ND2 ASN A 56 -8.987 -11.733 4.906 1.00 0.00 N ATOM 0 H ASN A 56 -12.447 -13.042 4.070 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.584 -10.098 4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.532 -11.987 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.458 -10.239 2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.448 -11.764 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.668 -12.251 4.087 1.00 0.00 H new ATOM 847 N SER A 57 -13.902 -11.859 2.040 1.00 0.00 N ATOM 848 CA SER A 57 -14.581 -11.947 0.759 1.00 0.00 C ATOM 849 C SER A 57 -15.048 -10.559 0.318 1.00 0.00 C ATOM 850 O SER A 57 -15.272 -10.323 -0.868 1.00 0.00 O ATOM 851 CB SER A 57 -15.768 -12.909 0.829 1.00 0.00 C ATOM 852 OG SER A 57 -16.419 -13.047 -0.431 1.00 0.00 O ATOM 0 H SER A 57 -14.224 -12.528 2.740 1.00 0.00 H new ATOM 0 HA SER A 57 -13.876 -12.337 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.423 -13.886 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.483 -12.549 1.569 1.00 0.00 H new ATOM 0 HG SER A 57 -17.170 -13.670 -0.345 1.00 0.00 H new ATOM 858 N THR A 58 -15.182 -9.676 1.297 1.00 0.00 N ATOM 859 CA THR A 58 -15.619 -8.317 1.025 1.00 0.00 C ATOM 860 C THR A 58 -14.527 -7.544 0.281 1.00 0.00 C ATOM 861 O THR A 58 -14.793 -6.917 -0.743 1.00 0.00 O ATOM 862 CB THR A 58 -16.020 -7.674 2.354 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.374 -8.078 2.540 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.095 -6.148 2.267 1.00 0.00 C ATOM 0 H THR A 58 -14.996 -9.875 2.280 1.00 0.00 H new ATOM 0 HA THR A 58 -16.488 -8.306 0.367 1.00 0.00 H new ATOM 0 HB THR A 58 -15.305 -7.959 3.126 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.714 -7.706 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.383 -5.742 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.120 -5.751 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.835 -5.862 1.519 1.00 0.00 H new ATOM 872 N TRP A 59 -13.321 -7.615 0.826 1.00 0.00 N ATOM 873 CA TRP A 59 -12.188 -6.931 0.228 1.00 0.00 C ATOM 874 C TRP A 59 -12.010 -7.465 -1.194 1.00 0.00 C ATOM 875 O TRP A 59 -11.374 -6.822 -2.028 1.00 0.00 O ATOM 876 CB TRP A 59 -10.934 -7.091 1.089 1.00 0.00 C ATOM 877 CG TRP A 59 -10.893 -6.167 2.308 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.077 -6.491 3.595 1.00 0.00 C ATOM 879 CD2 TRP A 59 -10.643 -4.746 2.301 1.00 0.00 C ATOM 880 NE1 TRP A 59 -10.965 -5.387 4.415 1.00 0.00 N ATOM 881 CE2 TRP A 59 -10.692 -4.292 3.604 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.383 -3.873 1.231 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.492 -2.952 3.957 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.185 -2.537 1.600 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.232 -2.064 2.907 1.00 0.00 C ATOM 0 H TRP A 59 -13.104 -8.136 1.676 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.369 -5.857 0.176 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -10.868 -8.125 1.428 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.056 -6.901 0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.287 -7.491 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.064 -5.376 5.430 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.339 -4.206 0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.536 -2.621 4.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.982 -1.824 0.815 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.069 -1.016 3.111 1.00 0.00 H new ATOM 896 N TYR A 60 -12.583 -8.637 -1.428 1.00 0.00 N ATOM 897 CA TYR A 60 -12.495 -9.265 -2.735 1.00 0.00 C ATOM 898 C TYR A 60 -13.646 -8.816 -3.638 1.00 0.00 C ATOM 899 O TYR A 60 -13.417 -8.299 -4.731 1.00 0.00 O ATOM 900 CB TYR A 60 -12.615 -10.771 -2.488 1.00 0.00 C ATOM 901 CG TYR A 60 -12.315 -11.629 -3.718 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.303 -11.864 -4.653 1.00 0.00 C ATOM 903 CD2 TYR A 60 -11.056 -12.167 -3.894 1.00 0.00 C ATOM 904 CE1 TYR A 60 -13.020 -12.672 -5.811 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.774 -12.975 -5.052 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.769 -13.188 -5.953 1.00 0.00 C ATOM 907 OH TYR A 60 -11.503 -13.951 -7.047 1.00 0.00 O ATOM 0 H TYR A 60 -13.110 -9.168 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.561 -8.995 -3.228 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.933 -11.053 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.624 -10.993 -2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.288 -11.442 -4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.283 -11.982 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.784 -12.864 -6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.793 -13.402 -5.201 1.00 0.00 H new ATOM 0 HH TYR A 60 -12.062 -13.656 -7.796 1.00 0.00 H new ATOM 917 N GLU A 61 -14.858 -9.028 -3.148 1.00 0.00 N ATOM 918 CA GLU A 61 -16.045 -8.651 -3.897 1.00 0.00 C ATOM 919 C GLU A 61 -15.953 -7.188 -4.335 1.00 0.00 C ATOM 920 O GLU A 61 -16.642 -6.771 -5.265 1.00 0.00 O ATOM 921 CB GLU A 61 -17.313 -8.899 -3.077 1.00 0.00 C ATOM 922 CG GLU A 61 -17.556 -10.397 -2.883 1.00 0.00 C ATOM 923 CD GLU A 61 -18.474 -10.653 -1.686 1.00 0.00 C ATOM 924 OE1 GLU A 61 -18.171 -10.097 -0.609 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.459 -11.399 -1.876 1.00 0.00 O ATOM 0 H GLU A 61 -15.044 -9.456 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.101 -9.275 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.223 -8.413 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.169 -8.450 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.003 -10.816 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.605 -10.907 -2.732 1.00 0.00 H new ATOM 932 N ARG A 62 -15.096 -6.450 -3.646 1.00 0.00 N ATOM 933 CA ARG A 62 -14.905 -5.042 -3.953 1.00 0.00 C ATOM 934 C ARG A 62 -13.687 -4.857 -4.860 1.00 0.00 C ATOM 935 O ARG A 62 -13.653 -3.942 -5.681 1.00 0.00 O ATOM 936 CB ARG A 62 -14.712 -4.221 -2.676 1.00 0.00 C ATOM 937 CG ARG A 62 -13.329 -4.469 -2.070 1.00 0.00 C ATOM 938 CD ARG A 62 -13.062 -3.512 -0.906 1.00 0.00 C ATOM 939 NE ARG A 62 -13.467 -2.138 -1.277 1.00 0.00 N ATOM 940 CZ ARG A 62 -13.798 -1.187 -0.393 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.776 -1.456 0.920 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.153 0.032 -0.821 1.00 0.00 N ATOM 0 H ARG A 62 -14.526 -6.800 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.800 -4.690 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.831 -3.161 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.483 -4.482 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.260 -5.500 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.564 -4.339 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.614 -3.837 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.004 -3.530 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.496 -1.900 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.507 -2.384 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.028 -0.732 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.171 0.236 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.405 0.756 -0.148 1.00 0.00 H new ATOM 956 N TYR A 63 -12.716 -5.741 -4.681 1.00 0.00 N ATOM 957 CA TYR A 63 -11.499 -5.686 -5.472 1.00 0.00 C ATOM 958 C TYR A 63 -11.101 -7.080 -5.962 1.00 0.00 C ATOM 959 O TYR A 63 -10.075 -7.618 -5.549 1.00 0.00 O ATOM 960 CB TYR A 63 -10.410 -5.158 -4.536 1.00 0.00 C ATOM 961 CG TYR A 63 -10.621 -3.709 -4.092 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.003 -2.754 -5.013 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.428 -3.356 -2.772 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.201 -1.390 -4.595 1.00 0.00 C ATOM 965 CE2 TYR A 63 -10.626 -1.993 -2.355 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.003 -1.077 -3.287 1.00 0.00 C ATOM 967 OH TYR A 63 -11.190 0.211 -2.892 1.00 0.00 O ATOM 0 H TYR A 63 -12.748 -6.499 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.639 -5.053 -6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.364 -5.795 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.445 -5.237 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.153 -3.030 -6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.128 -4.103 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.500 -0.633 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.479 -1.704 -1.325 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.379 0.539 -2.451 1.00 0.00 H new ATOM 977 N LYS A 64 -11.934 -7.625 -6.837 1.00 0.00 N ATOM 978 CA LYS A 64 -11.681 -8.946 -7.388 1.00 0.00 C ATOM 979 C LYS A 64 -11.115 -8.804 -8.802 1.00 0.00 C ATOM 980 O LYS A 64 -10.668 -9.784 -9.396 1.00 0.00 O ATOM 981 CB LYS A 64 -12.944 -9.807 -7.315 1.00 0.00 C ATOM 982 CG LYS A 64 -14.024 -9.278 -8.261 1.00 0.00 C ATOM 983 CD LYS A 64 -15.402 -9.821 -7.878 1.00 0.00 C ATOM 984 CE LYS A 64 -16.435 -8.694 -7.811 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.404 -8.944 -6.720 1.00 0.00 N ATOM 0 H LYS A 64 -12.784 -7.176 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.931 -9.469 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.701 -10.837 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.323 -9.816 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.037 -8.189 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.788 -9.566 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.719 -10.567 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.344 -10.324 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.932 -7.741 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.961 -8.618 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.359 -9.045 -7.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.144 -9.817 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.391 -8.145 -6.054 1.00 0.00 H new ATOM 999 N PHE A 65 -11.151 -7.577 -9.299 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.646 -7.294 -10.632 1.00 0.00 C ATOM 1001 C PHE A 65 -10.049 -5.887 -10.706 1.00 0.00 C ATOM 1002 O PHE A 65 -9.862 -5.345 -11.794 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.837 -7.380 -11.589 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.095 -6.670 -11.083 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.090 -5.322 -10.908 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.217 -7.388 -10.808 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.257 -4.663 -10.438 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.384 -6.729 -10.338 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.379 -5.380 -10.163 1.00 0.00 C ATOM 0 H PHE A 65 -11.522 -6.767 -8.803 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.863 -8.006 -10.891 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.551 -6.950 -12.549 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.071 -8.429 -11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.199 -4.752 -11.126 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.220 -8.459 -10.947 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.253 -3.592 -10.299 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.275 -7.299 -10.120 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.266 -4.879 -9.806 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.767 -5.337 -9.534 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.195 -4.004 -9.452 1.00 0.00 C ATOM 1021 C ASP A 66 -7.959 -4.039 -8.550 1.00 0.00 C ATOM 1022 O ASP A 66 -7.639 -3.051 -7.891 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.192 -3.013 -8.849 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.663 -3.324 -9.130 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.134 -4.359 -8.610 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.284 -2.520 -9.859 1.00 0.00 O ATOM 0 H ASP A 66 -9.924 -5.790 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.936 -3.685 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.043 -2.982 -7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.967 -2.017 -9.231 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.298 -5.187 -8.551 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.104 -5.363 -7.742 1.00 0.00 C ATOM 1033 C ILE A 67 -4.869 -5.306 -8.643 1.00 0.00 C ATOM 1034 O ILE A 67 -4.979 -5.429 -9.861 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.202 -6.646 -6.914 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.172 -7.640 -7.557 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.577 -6.336 -5.464 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.304 -8.906 -6.708 1.00 0.00 C ATOM 0 H ILE A 67 -7.566 -6.004 -9.099 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.010 -4.551 -7.020 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.220 -7.118 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.150 -7.174 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.821 -7.902 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.640 -7.265 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.817 -5.692 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.542 -5.829 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.999 -9.595 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.329 -9.383 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.679 -8.643 -5.719 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.690 -5.114 -7.991 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.648 -4.978 -6.545 1.00 0.00 C ATOM 1052 C PRO A 68 -4.154 -3.601 -6.109 1.00 0.00 C ATOM 1053 O PRO A 68 -4.041 -2.629 -6.854 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.196 -5.224 -6.169 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.396 -5.029 -7.446 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.372 -5.021 -8.611 1.00 0.00 C ATOM 0 HA PRO A 68 -4.303 -5.686 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.870 -4.530 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.060 -6.230 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.839 -4.093 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.666 -5.830 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.276 -4.110 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.191 -5.859 -9.285 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.700 -3.562 -4.902 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.223 -2.320 -4.358 1.00 0.00 C ATOM 1066 C VAL A 69 -4.292 -1.822 -3.250 1.00 0.00 C ATOM 1067 O VAL A 69 -3.647 -2.619 -2.572 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.663 -2.523 -3.882 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.185 -1.276 -3.166 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.576 -2.908 -5.048 1.00 0.00 C ATOM 0 H VAL A 69 -4.791 -4.370 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.255 -1.549 -5.128 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.667 -3.346 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.210 -1.447 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.558 -1.064 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.159 -0.427 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.594 -3.046 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.564 -2.116 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.222 -3.836 -5.496 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.254 -0.506 -3.102 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.413 0.108 -2.088 1.00 0.00 C ATOM 1082 C PHE A 70 -4.146 1.253 -1.387 1.00 0.00 C ATOM 1083 O PHE A 70 -4.508 2.244 -2.020 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.184 0.669 -2.806 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.303 -0.398 -3.458 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -0.295 -0.974 -2.749 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -1.527 -0.770 -4.747 1.00 0.00 C ATOM 1088 CE1 PHE A 70 0.523 -1.964 -3.355 1.00 0.00 C ATOM 1089 CE2 PHE A 70 -0.709 -1.760 -5.352 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.299 -2.336 -4.643 1.00 0.00 C ATOM 0 H PHE A 70 -4.791 0.152 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.142 -0.630 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.513 1.372 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.585 1.233 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.117 -0.678 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.327 -0.312 -5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.323 -2.421 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.887 -2.056 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.921 -3.089 -5.104 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.345 1.079 -0.089 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.029 2.085 0.706 1.00 0.00 C ATOM 1102 C HIS A 71 -4.036 2.744 1.665 1.00 0.00 C ATOM 1103 O HIS A 71 -3.473 2.080 2.533 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.237 1.481 1.425 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.323 0.991 0.497 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.562 0.572 0.948 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.343 0.860 -0.861 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.287 0.206 -0.098 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.529 0.385 -1.219 1.00 0.00 N ATOM 0 H HIS A 71 -4.044 0.256 0.433 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.421 2.865 0.053 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.900 0.650 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.658 2.229 2.097 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.866 0.549 1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.531 1.102 -1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.300 -0.168 -0.069 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.853 4.042 1.476 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.938 4.799 2.313 1.00 0.00 C ATOM 1119 C LEU A 72 -3.739 5.619 3.325 1.00 0.00 C ATOM 1120 O LEU A 72 -4.534 6.478 2.944 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.992 5.638 1.452 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.506 5.547 1.803 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.257 6.766 1.281 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.309 5.349 3.307 1.00 0.00 C ATOM 0 H LEU A 72 -4.323 4.589 0.755 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.298 4.125 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.118 5.338 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.298 6.682 1.523 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.091 4.670 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.311 6.676 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.157 6.821 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.153 7.671 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.756 5.287 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.744 6.191 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.799 4.427 3.620 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.504 5.327 4.596 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.195 6.027 5.666 1.00 0.00 C ATOM 1138 C ASN A 73 -5.677 5.648 5.644 1.00 0.00 C ATOM 1139 O ASN A 73 -6.522 6.408 6.113 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.092 7.543 5.488 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.213 8.164 6.575 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.631 8.378 7.701 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.974 8.441 6.177 1.00 0.00 N ATOM 0 H ASN A 73 -2.844 4.615 4.909 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.731 5.742 6.610 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.677 7.770 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.088 7.985 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.310 8.858 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.688 8.236 5.219 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.946 4.473 5.094 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.311 3.984 5.005 1.00 0.00 C ATOM 1152 C GLY A 74 -8.076 4.692 3.885 1.00 0.00 C ATOM 1153 O GLY A 74 -9.254 5.010 4.037 1.00 0.00 O ATOM 0 H GLY A 74 -5.242 3.846 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.305 2.909 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.821 4.143 5.955 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.373 4.919 2.785 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.971 5.584 1.639 1.00 0.00 C ATOM 1159 C GLN A 75 -7.302 5.116 0.345 1.00 0.00 C ATOM 1160 O GLN A 75 -6.099 5.299 0.162 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.885 7.104 1.782 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.260 7.751 1.598 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.148 9.070 0.830 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.071 9.600 0.610 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.316 9.567 0.436 1.00 0.00 N ATOM 0 H GLN A 75 -6.395 4.655 2.663 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.026 5.315 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.488 7.358 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.189 7.504 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.918 7.068 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.714 7.931 2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.181 9.072 0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.348 10.444 -0.084 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.110 4.521 -0.520 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.611 4.025 -1.791 1.00 0.00 C ATOM 1176 C PHE A 76 -6.568 4.977 -2.380 1.00 0.00 C ATOM 1177 O PHE A 76 -6.917 6.012 -2.947 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.808 3.948 -2.742 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.455 4.206 -4.208 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.533 3.427 -4.834 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -9.064 5.216 -4.886 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.206 3.667 -6.194 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.737 5.456 -6.247 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.815 4.676 -6.872 1.00 0.00 C ATOM 0 H PHE A 76 -9.107 4.371 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.139 3.053 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.264 2.962 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.557 4.674 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.049 2.625 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.796 5.835 -4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.473 3.048 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.220 6.258 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.566 4.858 -7.907 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.309 4.594 -2.225 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.213 5.401 -2.733 1.00 0.00 C ATOM 1196 C LEU A 77 -4.048 5.142 -4.232 1.00 0.00 C ATOM 1197 O LEU A 77 -3.864 6.076 -5.011 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.941 5.150 -1.921 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.697 4.767 -2.725 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.069 5.996 -3.384 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.694 4.007 -1.854 1.00 0.00 C ATOM 0 H LEU A 77 -5.024 3.735 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.434 6.462 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.716 6.049 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.143 4.356 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.002 4.094 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.187 5.695 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.792 6.457 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.781 6.713 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.181 3.747 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.389 4.635 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.158 3.097 -1.474 1.00 0.00 H new ATOM 1213 N MET A 78 -4.118 3.868 -4.591 1.00 0.00 N ATOM 1214 CA MET A 78 -3.979 3.474 -5.982 1.00 0.00 C ATOM 1215 C MET A 78 -4.204 1.970 -6.151 1.00 0.00 C ATOM 1216 O MET A 78 -3.918 1.190 -5.244 1.00 0.00 O ATOM 1217 CB MET A 78 -2.578 3.839 -6.478 1.00 0.00 C ATOM 1218 CG MET A 78 -1.531 2.870 -5.927 1.00 0.00 C ATOM 1219 SD MET A 78 0.100 3.576 -6.090 1.00 0.00 S ATOM 1220 CE MET A 78 0.969 2.642 -4.841 1.00 0.00 C ATOM 0 H MET A 78 -4.269 3.096 -3.942 1.00 0.00 H new ATOM 0 HA MET A 78 -4.731 4.003 -6.567 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.558 3.820 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.334 4.856 -6.172 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.740 2.654 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.582 1.923 -6.464 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.041 2.685 -5.035 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.761 3.066 -3.859 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.637 1.604 -4.866 1.00 0.00 H new ATOM 1230 N MET A 79 -4.714 1.608 -7.319 1.00 0.00 N ATOM 1231 CA MET A 79 -4.981 0.211 -7.619 1.00 0.00 C ATOM 1232 C MET A 79 -4.683 -0.101 -9.087 1.00 0.00 C ATOM 1233 O MET A 79 -4.660 0.799 -9.924 1.00 0.00 O ATOM 1234 CB MET A 79 -6.447 -0.105 -7.317 1.00 0.00 C ATOM 1235 CG MET A 79 -7.380 0.745 -8.181 1.00 0.00 C ATOM 1236 SD MET A 79 -9.077 0.267 -7.899 1.00 0.00 S ATOM 1237 CE MET A 79 -9.772 1.847 -7.442 1.00 0.00 C ATOM 0 H MET A 79 -4.950 2.258 -8.069 1.00 0.00 H new ATOM 0 HA MET A 79 -4.332 -0.405 -6.997 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.640 -1.162 -7.499 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.653 0.080 -6.263 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.247 1.801 -7.945 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.128 0.620 -9.234 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.854 1.821 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.540 2.059 -6.398 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.348 2.628 -8.074 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.463 -1.380 -9.353 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.167 -1.823 -10.705 1.00 0.00 C ATOM 1249 C HIS A 80 -2.661 -1.734 -10.957 1.00 0.00 C ATOM 1250 O HIS A 80 -2.207 -1.890 -12.089 1.00 0.00 O ATOM 1251 CB HIS A 80 -4.987 -1.032 -11.727 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.420 -0.795 -11.314 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.193 0.225 -11.840 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.211 -1.457 -10.422 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.393 0.170 -11.282 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.403 -0.873 -10.403 1.00 0.00 N ATOM 0 H HIS A 80 -4.484 -2.124 -8.655 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.458 -2.867 -10.821 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.505 -0.069 -11.897 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.977 -1.566 -12.677 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -6.890 0.904 -12.539 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.917 -2.312 -9.831 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.219 0.835 -11.487 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.928 -1.482 -9.882 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.482 -1.370 -9.972 1.00 0.00 C ATOM 1266 C ARG A 81 0.069 -0.621 -8.758 1.00 0.00 C ATOM 1267 O ARG A 81 -0.650 -0.392 -7.786 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.064 -0.636 -11.248 1.00 0.00 C ATOM 1269 CG ARG A 81 0.567 -1.600 -12.254 1.00 0.00 C ATOM 1270 CD ARG A 81 0.771 -0.922 -13.610 1.00 0.00 C ATOM 1271 NE ARG A 81 0.730 -1.930 -14.693 1.00 0.00 N ATOM 1272 CZ ARG A 81 0.798 -1.635 -15.998 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.909 -0.359 -16.391 1.00 0.00 N ATOM 1274 NH2 ARG A 81 0.754 -2.616 -16.910 1.00 0.00 N ATOM 0 H ARG A 81 -2.308 -1.352 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.073 -2.380 -9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.933 -0.155 -11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.646 0.154 -11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.525 -1.954 -11.873 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.071 -2.475 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.004 -0.172 -13.771 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.728 -0.400 -13.624 1.00 0.00 H new ATOM 0 HE ARG A 81 0.645 -2.912 -14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.942 0.387 -15.697 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.961 -0.134 -17.385 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.669 -3.587 -16.611 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.806 -2.391 -17.904 1.00 0.00 H new ATOM 1288 N VAL A 82 1.341 -0.259 -8.852 1.00 0.00 N ATOM 1289 CA VAL A 82 1.996 0.459 -7.773 1.00 0.00 C ATOM 1290 C VAL A 82 2.703 1.691 -8.341 1.00 0.00 C ATOM 1291 O VAL A 82 3.911 1.667 -8.572 1.00 0.00 O ATOM 1292 CB VAL A 82 2.942 -0.478 -7.019 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.455 0.178 -5.735 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.264 -1.816 -6.718 1.00 0.00 C ATOM 0 H VAL A 82 1.935 -0.450 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 82 1.262 0.811 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 82 3.801 -0.675 -7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.125 -0.509 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.994 1.092 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.612 0.418 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.958 -2.463 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.379 -1.646 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.971 -2.294 -7.653 1.00 0.00 H new ATOM 1304 N ASN A 83 1.920 2.739 -8.551 1.00 0.00 N ATOM 1305 CA ASN A 83 2.455 3.978 -9.088 1.00 0.00 C ATOM 1306 C ASN A 83 3.259 4.695 -8.002 1.00 0.00 C ATOM 1307 O ASN A 83 2.772 5.643 -7.387 1.00 0.00 O ATOM 1308 CB ASN A 83 1.332 4.914 -9.540 1.00 0.00 C ATOM 1309 CG ASN A 83 1.056 4.758 -11.037 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.695 3.697 -11.520 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.247 5.870 -11.741 1.00 0.00 N ATOM 0 H ASN A 83 0.918 2.755 -8.359 1.00 0.00 H new ATOM 0 HA ASN A 83 3.084 3.730 -9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.425 4.699 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.605 5.947 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.091 5.869 -12.749 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.550 6.724 -11.273 1.00 0.00 H new ATOM 1318 N THR A 84 4.477 4.215 -7.798 1.00 0.00 N ATOM 1319 CA THR A 84 5.354 4.798 -6.796 1.00 0.00 C ATOM 1320 C THR A 84 5.182 6.318 -6.757 1.00 0.00 C ATOM 1321 O THR A 84 5.011 6.899 -5.686 1.00 0.00 O ATOM 1322 CB THR A 84 6.785 4.356 -7.106 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.843 4.338 -8.530 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.050 2.904 -6.704 1.00 0.00 C ATOM 0 H THR A 84 4.878 3.429 -8.310 1.00 0.00 H new ATOM 0 HA THR A 84 5.100 4.448 -5.795 1.00 0.00 H new ATOM 0 HB THR A 84 7.486 5.010 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.739 4.063 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.080 2.642 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.888 2.788 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.371 2.246 -7.247 1.00 0.00 H new ATOM 1332 N SER A 85 5.232 6.918 -7.937 1.00 0.00 N ATOM 1333 CA SER A 85 5.084 8.359 -8.051 1.00 0.00 C ATOM 1334 C SER A 85 3.965 8.845 -7.127 1.00 0.00 C ATOM 1335 O SER A 85 4.145 9.806 -6.381 1.00 0.00 O ATOM 1336 CB SER A 85 4.795 8.771 -9.496 1.00 0.00 C ATOM 1337 OG SER A 85 5.151 10.128 -9.746 1.00 0.00 O ATOM 0 H SER A 85 5.373 6.432 -8.823 1.00 0.00 H new ATOM 0 HA SER A 85 6.023 8.824 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.346 8.121 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.735 8.629 -9.708 1.00 0.00 H new ATOM 0 HG SER A 85 4.953 10.352 -10.679 1.00 0.00 H new ATOM 1343 N LYS A 86 2.835 8.157 -7.207 1.00 0.00 N ATOM 1344 CA LYS A 86 1.687 8.507 -6.387 1.00 0.00 C ATOM 1345 C LYS A 86 2.007 8.215 -4.920 1.00 0.00 C ATOM 1346 O LYS A 86 1.991 9.120 -4.086 1.00 0.00 O ATOM 1347 CB LYS A 86 0.430 7.798 -6.896 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.779 8.734 -6.860 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.542 8.595 -5.541 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.667 9.627 -5.447 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.848 9.178 -6.218 1.00 0.00 N ATOM 0 H LYS A 86 2.690 7.360 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 86 1.475 9.574 -6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.593 7.448 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.232 6.918 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.449 9.765 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.443 8.508 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.958 7.590 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.855 8.723 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.943 9.779 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.320 10.588 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.656 9.799 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.634 9.218 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.085 8.201 -5.952 1.00 0.00 H new ATOM 1365 N LEU A 87 2.289 6.950 -4.648 1.00 0.00 N ATOM 1366 CA LEU A 87 2.611 6.528 -3.296 1.00 0.00 C ATOM 1367 C LEU A 87 3.506 7.580 -2.638 1.00 0.00 C ATOM 1368 O LEU A 87 3.091 8.249 -1.692 1.00 0.00 O ATOM 1369 CB LEU A 87 3.217 5.123 -3.303 1.00 0.00 C ATOM 1370 CG LEU A 87 3.931 4.694 -2.019 1.00 0.00 C ATOM 1371 CD1 LEU A 87 2.997 4.793 -0.812 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.531 3.294 -2.167 1.00 0.00 C ATOM 0 H LEU A 87 2.301 6.203 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 87 1.706 6.457 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.422 4.407 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.926 5.059 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 87 4.758 5.382 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.530 4.482 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.660 5.823 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.135 4.144 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.033 3.013 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.737 2.579 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.252 3.292 -2.985 1.00 0.00 H new ATOM 1384 N GLU A 88 4.717 7.694 -3.164 1.00 0.00 N ATOM 1385 CA GLU A 88 5.673 8.654 -2.639 1.00 0.00 C ATOM 1386 C GLU A 88 4.992 10.002 -2.393 1.00 0.00 C ATOM 1387 O GLU A 88 5.031 10.527 -1.282 1.00 0.00 O ATOM 1388 CB GLU A 88 6.869 8.807 -3.582 1.00 0.00 C ATOM 1389 CG GLU A 88 7.368 7.443 -4.060 1.00 0.00 C ATOM 1390 CD GLU A 88 8.887 7.332 -3.914 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.364 7.540 -2.777 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.537 7.043 -4.941 1.00 0.00 O ATOM 0 H GLU A 88 5.058 7.138 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 88 6.048 8.280 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.584 9.415 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.675 9.334 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.885 6.653 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.088 7.294 -5.103 1.00 0.00 H new ATOM 1399 N LYS A 89 4.385 10.523 -3.449 1.00 0.00 N ATOM 1400 CA LYS A 89 3.696 11.800 -3.361 1.00 0.00 C ATOM 1401 C LYS A 89 2.868 11.841 -2.076 1.00 0.00 C ATOM 1402 O LYS A 89 2.943 12.805 -1.315 1.00 0.00 O ATOM 1403 CB LYS A 89 2.878 12.055 -4.629 1.00 0.00 C ATOM 1404 CG LYS A 89 2.605 13.549 -4.813 1.00 0.00 C ATOM 1405 CD LYS A 89 1.419 14.000 -3.958 1.00 0.00 C ATOM 1406 CE LYS A 89 0.649 15.132 -4.641 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.491 16.280 -3.720 1.00 0.00 N ATOM 0 H LYS A 89 4.356 10.085 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 89 4.415 12.618 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.415 11.670 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.934 11.513 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.492 14.121 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.401 13.758 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.752 13.156 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.775 14.334 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.178 15.449 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.331 14.774 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.034 17.040 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.033 15.977 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.429 16.631 -3.439 1.00 0.00 H new ATOM 1421 N GLN A 90 2.098 10.782 -1.872 1.00 0.00 N ATOM 1422 CA GLN A 90 1.257 10.685 -0.691 1.00 0.00 C ATOM 1423 C GLN A 90 2.117 10.677 0.574 1.00 0.00 C ATOM 1424 O GLN A 90 1.928 11.507 1.463 1.00 0.00 O ATOM 1425 CB GLN A 90 0.364 9.444 -0.755 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.582 9.510 -1.955 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.587 10.654 -1.799 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.679 10.489 -1.280 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -1.158 11.819 -2.275 1.00 0.00 N ATOM 0 H GLN A 90 2.039 9.984 -2.505 1.00 0.00 H new ATOM 0 HA GLN A 90 0.607 11.559 -0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.983 8.550 -0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.215 9.361 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.006 9.650 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.115 8.564 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.232 11.888 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.755 12.644 -2.218 1.00 0.00 H new ATOM 1438 N LEU A 91 3.043 9.731 0.616 1.00 0.00 N ATOM 1439 CA LEU A 91 3.933 9.604 1.758 1.00 0.00 C ATOM 1440 C LEU A 91 4.502 10.980 2.110 1.00 0.00 C ATOM 1441 O LEU A 91 4.403 11.422 3.254 1.00 0.00 O ATOM 1442 CB LEU A 91 5.005 8.547 1.487 1.00 0.00 C ATOM 1443 CG LEU A 91 4.508 7.105 1.361 1.00 0.00 C ATOM 1444 CD1 LEU A 91 5.585 6.205 0.752 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.013 6.576 2.709 1.00 0.00 C ATOM 0 H LEU A 91 3.197 9.045 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 91 3.384 9.252 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.525 8.813 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.739 8.588 2.291 1.00 0.00 H new ATOM 0 HG LEU A 91 3.657 7.095 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.206 5.186 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.847 6.572 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.470 6.215 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.665 5.550 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.828 6.603 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.192 7.199 3.065 1.00 0.00 H new ATOM 1457 N ARG A 92 5.085 11.619 1.107 1.00 0.00 N ATOM 1458 CA ARG A 92 5.670 12.936 1.296 1.00 0.00 C ATOM 1459 C ARG A 92 4.804 13.770 2.243 1.00 0.00 C ATOM 1460 O ARG A 92 5.317 14.409 3.160 1.00 0.00 O ATOM 1461 CB ARG A 92 5.812 13.673 -0.037 1.00 0.00 C ATOM 1462 CG ARG A 92 7.249 13.593 -0.557 1.00 0.00 C ATOM 1463 CD ARG A 92 7.448 14.515 -1.761 1.00 0.00 C ATOM 1464 NE ARG A 92 8.885 14.824 -1.930 1.00 0.00 N ATOM 1465 CZ ARG A 92 9.793 13.950 -2.388 1.00 0.00 C ATOM 1466 NH1 ARG A 92 9.417 12.709 -2.725 1.00 0.00 N ATOM 1467 NH2 ARG A 92 11.076 14.318 -2.508 1.00 0.00 N ATOM 0 H ARG A 92 5.165 11.249 0.160 1.00 0.00 H new ATOM 0 HA ARG A 92 6.661 12.800 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.131 13.240 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.524 14.717 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.943 13.870 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.481 12.566 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.062 14.039 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.883 15.437 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 92 9.205 15.760 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.440 12.429 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.107 12.044 -3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.362 15.263 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.767 13.653 -2.856 1.00 0.00 H new ATOM 1481 N LYS A 93 3.504 13.737 1.987 1.00 0.00 N ATOM 1482 CA LYS A 93 2.562 14.482 2.804 1.00 0.00 C ATOM 1483 C LYS A 93 1.567 13.510 3.443 1.00 0.00 C ATOM 1484 O LYS A 93 1.772 13.057 4.568 1.00 0.00 O ATOM 1485 CB LYS A 93 1.898 15.589 1.983 1.00 0.00 C ATOM 1486 CG LYS A 93 2.744 16.864 1.997 1.00 0.00 C ATOM 1487 CD LYS A 93 1.858 18.109 2.077 1.00 0.00 C ATOM 1488 CE LYS A 93 1.258 18.266 3.476 1.00 0.00 C ATOM 1489 NZ LYS A 93 -0.162 18.675 3.387 1.00 0.00 N ATOM 0 H LYS A 93 3.082 13.206 1.225 1.00 0.00 H new ATOM 0 HA LYS A 93 3.082 14.988 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.759 15.252 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.907 15.801 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.426 16.843 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.358 16.907 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.444 18.993 1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.058 18.038 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.338 17.325 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.822 19.009 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.554 18.777 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.231 19.584 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.700 17.952 2.868 1.00 0.00 H new ATOM 1503 N LEU A 94 0.512 13.219 2.697 1.00 0.00 N ATOM 1504 CA LEU A 94 -0.515 12.309 3.176 1.00 0.00 C ATOM 1505 C LEU A 94 -1.397 13.033 4.195 1.00 0.00 C ATOM 1506 O LEU A 94 -2.619 13.053 4.061 1.00 0.00 O ATOM 1507 CB LEU A 94 0.117 11.023 3.713 1.00 0.00 C ATOM 1508 CG LEU A 94 -0.191 9.746 2.928 1.00 0.00 C ATOM 1509 CD1 LEU A 94 0.214 8.503 3.722 1.00 0.00 C ATOM 1510 CD2 LEU A 94 -1.661 9.703 2.505 1.00 0.00 C ATOM 0 H LEU A 94 0.346 13.597 1.764 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.163 12.000 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.198 11.157 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.213 10.882 4.742 1.00 0.00 H new ATOM 0 HG LEU A 94 0.406 9.754 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.016 7.610 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.284 8.536 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.337 8.476 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.853 8.785 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.295 9.730 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.883 10.563 1.873 1.00 0.00 H new ATOM 1522 N SER A 95 -0.742 13.610 5.192 1.00 0.00 N ATOM 1523 CA SER A 95 -1.451 14.334 6.234 1.00 0.00 C ATOM 1524 C SER A 95 -0.660 15.579 6.638 1.00 0.00 C ATOM 1525 O SER A 95 -1.165 16.697 6.545 1.00 0.00 O ATOM 1526 CB SER A 95 -1.697 13.443 7.453 1.00 0.00 C ATOM 1527 OG SER A 95 -2.845 12.616 7.288 1.00 0.00 O ATOM 0 H SER A 95 0.272 13.591 5.300 1.00 0.00 H new ATOM 0 HA SER A 95 -2.420 14.640 5.839 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.822 12.817 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.824 14.067 8.338 1.00 0.00 H new ATOM 0 HG SER A 95 -3.041 12.515 6.333 1.00 0.00 H new ATOM 1533 N GLY A 96 0.568 15.345 7.076 1.00 0.00 N ATOM 1534 CA GLY A 96 1.434 16.434 7.494 1.00 0.00 C ATOM 1535 C GLY A 96 2.672 15.903 8.221 1.00 0.00 C ATOM 1536 O GLY A 96 3.288 14.935 7.779 1.00 0.00 O ATOM 0 H GLY A 96 0.984 14.417 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.740 17.014 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.884 17.109 8.150 1.00 0.00 H new ATOM 1540 N PRO A 97 3.007 16.577 9.354 1.00 0.00 N ATOM 1541 CA PRO A 97 4.159 16.183 10.146 1.00 0.00 C ATOM 1542 C PRO A 97 3.866 14.914 10.947 1.00 0.00 C ATOM 1543 O PRO A 97 3.816 14.948 12.176 1.00 0.00 O ATOM 1544 CB PRO A 97 4.461 17.385 11.026 1.00 0.00 C ATOM 1545 CG PRO A 97 3.195 18.227 11.031 1.00 0.00 C ATOM 1546 CD PRO A 97 2.300 17.728 9.908 1.00 0.00 C ATOM 0 HA PRO A 97 5.023 15.928 9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.726 17.073 12.036 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.306 17.952 10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.685 18.144 11.991 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.436 19.280 10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.316 17.446 10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.145 18.499 9.153 1.00 0.00 H new ATOM 1554 N SER A 98 3.678 13.823 10.219 1.00 0.00 N ATOM 1555 CA SER A 98 3.391 12.544 10.847 1.00 0.00 C ATOM 1556 C SER A 98 2.017 12.588 11.518 1.00 0.00 C ATOM 1557 O SER A 98 1.022 12.163 10.933 1.00 0.00 O ATOM 1558 CB SER A 98 4.469 12.177 11.869 1.00 0.00 C ATOM 1559 OG SER A 98 5.282 11.096 11.422 1.00 0.00 O ATOM 0 H SER A 98 3.719 13.798 9.200 1.00 0.00 H new ATOM 0 HA SER A 98 3.387 11.776 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.097 13.047 12.062 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.996 11.909 12.814 1.00 0.00 H new ATOM 0 HG SER A 98 4.768 10.262 11.462 1.00 0.00 H new ATOM 1565 N SER A 99 2.005 13.106 12.738 1.00 0.00 N ATOM 1566 CA SER A 99 0.770 13.211 13.495 1.00 0.00 C ATOM 1567 C SER A 99 0.084 14.545 13.194 1.00 0.00 C ATOM 1568 O SER A 99 0.745 15.524 12.852 1.00 0.00 O ATOM 1569 CB SER A 99 1.030 13.075 14.996 1.00 0.00 C ATOM 1570 OG SER A 99 0.715 11.771 15.476 1.00 0.00 O ATOM 0 H SER A 99 2.832 13.458 13.221 1.00 0.00 H new ATOM 0 HA SER A 99 0.113 12.395 13.193 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.077 13.295 15.204 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.436 13.813 15.535 1.00 0.00 H new ATOM 0 HG SER A 99 0.896 11.724 16.438 1.00 0.00 H new ATOM 1576 N GLY A 100 -1.234 14.542 13.334 1.00 0.00 N ATOM 1577 CA GLY A 100 -2.017 15.739 13.081 1.00 0.00 C ATOM 1578 C GLY A 100 -2.889 16.089 14.289 1.00 0.00 C ATOM 1579 O GLY A 100 -4.110 16.180 14.172 1.00 0.00 O ATOM 0 H GLY A 100 -1.779 13.729 13.620 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.352 16.572 12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.647 15.587 12.205 1.00 0.00 H new TER 1583 GLY A 100