USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=33 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 79 ASN : amide:sc= -2.03 X(o=-4.4,f=-4.2) USER MOD Set 1.2: A 82 SER OG : rot -140:sc= -2.36 USER MOD Set 2.1: A 40 HIS : no HE2:sc= -7.41! C(o=-9.8!,f=-14!) USER MOD Set 2.2: A 60 MET CE :methyl -151:sc= -2.42 (180deg=-4.43) USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.0243 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.147 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 GLN : amide:sc= -0.0679 K(o=-0.068,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.7!) USER MOD Single : A 13 SER OG : rot -4:sc= 0.973 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.696 K(o=-0.7,f=-5.3!) USER MOD Single : A 21 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.3!) USER MOD Single : A 22 TYR OH : rot -78:sc= -0.236 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.36! C(o=-2.4!,f=-7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -63:sc= 0.967 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+ -177:sc= -0.0552 (180deg=-0.0704) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.163 F(o=-1.2,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.269 USER MOD Single : A 54 SER OG : rot -14:sc= 0.153 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : A 70 MET CE :methyl 136:sc= -2.03 (180deg=-4.86!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -129:sc= 0.163 USER MOD Single : A 76 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0049) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0999 USER MOD Single : A 83 SER OG : rot 20:sc= 0.318 USER MOD Single : A 86 SER OG : rot 180:sc= -0.255 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 180:sc= -0.0168 USER MOD Single : A 96 ASN : amide:sc= -0.975 K(o=-0.98,f=-2.7!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.1) USER MOD Single : A 119 SER OG : rot 35:sc= 0.22 USER MOD Single : A 122 SER OG : rot 131:sc= 0.22 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.794 -26.220 12.680 1.00 0.00 N ATOM 2 CA GLY A 1 -5.485 -24.841 13.015 1.00 0.00 C ATOM 3 C GLY A 1 -6.763 -24.020 13.192 1.00 0.00 C ATOM 4 O GLY A 1 -7.772 -24.531 13.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.054 -26.844 13.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.713 -26.480 13.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.836 -26.325 11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.898 -24.809 13.933 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.872 -24.401 12.229 1.00 0.00 H new ATOM 8 N SER A 2 -6.681 -22.760 12.790 1.00 0.00 N ATOM 9 CA SER A 2 -7.819 -21.863 12.898 1.00 0.00 C ATOM 10 C SER A 2 -7.473 -20.502 12.291 1.00 0.00 C ATOM 11 O SER A 2 -7.059 -19.588 13.003 1.00 0.00 O ATOM 12 CB SER A 2 -8.254 -21.699 14.356 1.00 0.00 C ATOM 13 OG SER A 2 -9.500 -22.338 14.616 1.00 0.00 O ATOM 0 H SER A 2 -5.843 -22.339 12.389 1.00 0.00 H new ATOM 0 HA SER A 2 -8.651 -22.299 12.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.489 -22.115 15.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.334 -20.638 14.593 1.00 0.00 H new ATOM 0 HG SER A 2 -9.426 -23.294 14.412 1.00 0.00 H new ATOM 19 N SER A 3 -7.654 -20.411 10.982 1.00 0.00 N ATOM 20 CA SER A 3 -7.366 -19.177 10.271 1.00 0.00 C ATOM 21 C SER A 3 -5.863 -18.894 10.302 1.00 0.00 C ATOM 22 O SER A 3 -5.353 -18.332 11.269 1.00 0.00 O ATOM 23 CB SER A 3 -8.139 -18.001 10.872 1.00 0.00 C ATOM 24 OG SER A 3 -8.364 -16.966 9.919 1.00 0.00 O ATOM 0 H SER A 3 -7.997 -21.172 10.395 1.00 0.00 H new ATOM 0 HA SER A 3 -7.686 -19.297 9.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.096 -18.355 11.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.585 -17.599 11.720 1.00 0.00 H new ATOM 0 HG SER A 3 -8.862 -16.235 10.341 1.00 0.00 H new ATOM 30 N GLY A 4 -5.195 -19.297 9.230 1.00 0.00 N ATOM 31 CA GLY A 4 -3.761 -19.094 9.122 1.00 0.00 C ATOM 32 C GLY A 4 -3.178 -19.904 7.962 1.00 0.00 C ATOM 33 O GLY A 4 -2.614 -20.977 8.171 1.00 0.00 O ATOM 0 H GLY A 4 -5.621 -19.763 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.550 -18.035 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.277 -19.387 10.054 1.00 0.00 H new ATOM 37 N SER A 5 -3.335 -19.359 6.764 1.00 0.00 N ATOM 38 CA SER A 5 -2.832 -20.018 5.571 1.00 0.00 C ATOM 39 C SER A 5 -2.761 -19.021 4.413 1.00 0.00 C ATOM 40 O SER A 5 -3.785 -18.499 3.975 1.00 0.00 O ATOM 41 CB SER A 5 -3.709 -21.212 5.190 1.00 0.00 C ATOM 42 OG SER A 5 -3.033 -22.113 4.317 1.00 0.00 O ATOM 0 H SER A 5 -3.803 -18.469 6.594 1.00 0.00 H new ATOM 0 HA SER A 5 -1.830 -20.391 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.013 -21.741 6.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.619 -20.854 4.708 1.00 0.00 H new ATOM 0 HG SER A 5 -3.625 -22.863 4.098 1.00 0.00 H new ATOM 48 N SER A 6 -1.542 -18.785 3.951 1.00 0.00 N ATOM 49 CA SER A 6 -1.325 -17.859 2.852 1.00 0.00 C ATOM 50 C SER A 6 0.151 -17.866 2.447 1.00 0.00 C ATOM 51 O SER A 6 0.482 -18.166 1.301 1.00 0.00 O ATOM 52 CB SER A 6 -1.765 -16.443 3.229 1.00 0.00 C ATOM 53 OG SER A 6 -2.223 -15.708 2.098 1.00 0.00 O ATOM 0 H SER A 6 -0.695 -19.219 4.317 1.00 0.00 H new ATOM 0 HA SER A 6 -1.930 -18.184 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.560 -16.496 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.931 -15.915 3.691 1.00 0.00 H new ATOM 0 HG SER A 6 -2.496 -14.810 2.380 1.00 0.00 H new ATOM 59 N GLY A 7 0.997 -17.531 3.409 1.00 0.00 N ATOM 60 CA GLY A 7 2.430 -17.495 3.167 1.00 0.00 C ATOM 61 C GLY A 7 2.742 -16.834 1.823 1.00 0.00 C ATOM 62 O GLY A 7 2.125 -15.833 1.461 1.00 0.00 O ATOM 0 H GLY A 7 0.718 -17.282 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.924 -16.947 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.830 -18.509 3.179 1.00 0.00 H new ATOM 66 N GLN A 8 3.699 -17.420 1.119 1.00 0.00 N ATOM 67 CA GLN A 8 4.100 -16.901 -0.177 1.00 0.00 C ATOM 68 C GLN A 8 4.633 -15.473 -0.035 1.00 0.00 C ATOM 69 O GLN A 8 4.421 -14.827 0.990 1.00 0.00 O ATOM 70 CB GLN A 8 2.941 -16.956 -1.173 1.00 0.00 C ATOM 71 CG GLN A 8 3.320 -17.772 -2.411 1.00 0.00 C ATOM 72 CD GLN A 8 2.076 -18.351 -3.088 1.00 0.00 C ATOM 73 OE1 GLN A 8 0.977 -17.836 -2.970 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.311 -19.448 -3.802 1.00 0.00 N ATOM 0 H GLN A 8 4.209 -18.250 1.422 1.00 0.00 H new ATOM 0 HA GLN A 8 4.900 -17.531 -0.566 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.067 -17.398 -0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.664 -15.945 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.861 -17.140 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.993 -18.581 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.256 -19.827 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.546 -19.911 -4.293 1.00 0.00 H new ATOM 83 N LYS A 9 5.314 -15.023 -1.078 1.00 0.00 N ATOM 84 CA LYS A 9 5.879 -13.684 -1.083 1.00 0.00 C ATOM 85 C LYS A 9 4.760 -12.663 -0.864 1.00 0.00 C ATOM 86 O LYS A 9 3.593 -12.951 -1.125 1.00 0.00 O ATOM 87 CB LYS A 9 6.687 -13.448 -2.360 1.00 0.00 C ATOM 88 CG LYS A 9 7.950 -12.636 -2.067 1.00 0.00 C ATOM 89 CD LYS A 9 9.206 -13.488 -2.257 1.00 0.00 C ATOM 90 CE LYS A 9 10.339 -13.006 -1.349 1.00 0.00 C ATOM 91 NZ LYS A 9 11.104 -11.922 -2.006 1.00 0.00 N ATOM 0 H LYS A 9 5.488 -15.562 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 9 6.585 -13.565 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.961 -14.405 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.073 -12.922 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.991 -11.770 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.914 -12.257 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.978 -14.531 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.526 -13.443 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.929 -12.649 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.004 -13.837 -1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.869 -11.606 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.511 -12.274 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.470 -11.123 -2.208 1.00 0.00 H new ATOM 105 N ASN A 10 5.156 -11.492 -0.388 1.00 0.00 N ATOM 106 CA ASN A 10 4.202 -10.427 -0.132 1.00 0.00 C ATOM 107 C ASN A 10 4.795 -9.094 -0.594 1.00 0.00 C ATOM 108 O ASN A 10 6.006 -8.891 -0.518 1.00 0.00 O ATOM 109 CB ASN A 10 3.891 -10.314 1.362 1.00 0.00 C ATOM 110 CG ASN A 10 5.160 -10.028 2.166 1.00 0.00 C ATOM 111 OD1 ASN A 10 6.172 -10.697 2.036 1.00 0.00 O ATOM 112 ND2 ASN A 10 5.051 -9.000 3.003 1.00 0.00 N ATOM 0 H ASN A 10 6.125 -11.257 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 10 3.285 -10.658 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.165 -9.518 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.435 -11.240 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.844 -8.730 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.174 -8.482 3.063 1.00 0.00 H new ATOM 119 N PRO A 11 3.892 -8.199 -1.074 1.00 0.00 N ATOM 120 CA PRO A 11 4.314 -6.891 -1.548 1.00 0.00 C ATOM 121 C PRO A 11 4.658 -5.969 -0.377 1.00 0.00 C ATOM 122 O PRO A 11 4.553 -6.366 0.783 1.00 0.00 O ATOM 123 CB PRO A 11 3.151 -6.382 -2.383 1.00 0.00 C ATOM 124 CG PRO A 11 1.945 -7.209 -1.968 1.00 0.00 C ATOM 125 CD PRO A 11 2.451 -8.406 -1.178 1.00 0.00 C ATOM 0 HA PRO A 11 5.226 -6.933 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.977 -5.321 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.355 -6.496 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.263 -6.612 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.388 -7.538 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.986 -8.456 -0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.221 -9.342 -1.687 1.00 0.00 H new ATOM 133 N ASP A 12 5.062 -4.755 -0.720 1.00 0.00 N ATOM 134 CA ASP A 12 5.423 -3.772 0.288 1.00 0.00 C ATOM 135 C ASP A 12 4.432 -3.854 1.450 1.00 0.00 C ATOM 136 O ASP A 12 4.829 -4.051 2.597 1.00 0.00 O ATOM 137 CB ASP A 12 5.368 -2.353 -0.282 1.00 0.00 C ATOM 138 CG ASP A 12 6.185 -1.315 0.491 1.00 0.00 C ATOM 139 OD1 ASP A 12 7.382 -1.592 0.722 1.00 0.00 O ATOM 140 OD2 ASP A 12 5.594 -0.267 0.831 1.00 0.00 O ATOM 0 H ASP A 12 5.148 -4.429 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 12 6.438 -3.987 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.721 -2.377 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.328 -2.028 -0.309 1.00 0.00 H new ATOM 145 N SER A 13 3.160 -3.698 1.113 1.00 0.00 N ATOM 146 CA SER A 13 2.108 -3.752 2.115 1.00 0.00 C ATOM 147 C SER A 13 1.928 -5.189 2.609 1.00 0.00 C ATOM 148 O SER A 13 1.517 -6.063 1.848 1.00 0.00 O ATOM 149 CB SER A 13 0.789 -3.213 1.558 1.00 0.00 C ATOM 150 OG SER A 13 0.106 -4.183 0.769 1.00 0.00 O ATOM 0 H SER A 13 2.834 -3.534 0.161 1.00 0.00 H new ATOM 0 HA SER A 13 2.402 -3.121 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.148 -2.900 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.986 -2.328 0.954 1.00 0.00 H new ATOM 0 HG SER A 13 0.656 -4.991 0.696 1.00 0.00 H new ATOM 156 N TYR A 14 2.245 -5.388 3.880 1.00 0.00 N ATOM 157 CA TYR A 14 2.124 -6.703 4.484 1.00 0.00 C ATOM 158 C TYR A 14 0.884 -7.433 3.964 1.00 0.00 C ATOM 159 O TYR A 14 0.976 -8.572 3.506 1.00 0.00 O ATOM 160 CB TYR A 14 1.967 -6.464 5.987 1.00 0.00 C ATOM 161 CG TYR A 14 2.478 -7.615 6.857 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.802 -7.650 7.245 1.00 0.00 C ATOM 163 CD2 TYR A 14 1.616 -8.616 7.253 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.284 -8.733 8.063 1.00 0.00 C ATOM 165 CE2 TYR A 14 2.097 -9.699 8.072 1.00 0.00 C ATOM 166 CZ TYR A 14 3.407 -9.704 8.436 1.00 0.00 C ATOM 167 OH TYR A 14 3.862 -10.726 9.209 1.00 0.00 O ATOM 0 H TYR A 14 2.586 -4.660 4.508 1.00 0.00 H new ATOM 0 HA TYR A 14 2.994 -7.316 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.501 -5.553 6.257 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.914 -6.294 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.477 -6.865 6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.580 -8.588 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.318 -8.773 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.432 -10.489 8.390 1.00 0.00 H new ATOM 0 HH TYR A 14 3.126 -11.345 9.399 1.00 0.00 H new ATOM 177 N ASN A 15 -0.247 -6.748 4.051 1.00 0.00 N ATOM 178 CA ASN A 15 -1.504 -7.318 3.594 1.00 0.00 C ATOM 179 C ASN A 15 -2.580 -6.230 3.591 1.00 0.00 C ATOM 180 O ASN A 15 -3.104 -5.867 4.643 1.00 0.00 O ATOM 181 CB ASN A 15 -1.969 -8.440 4.523 1.00 0.00 C ATOM 182 CG ASN A 15 -3.365 -8.931 4.134 1.00 0.00 C ATOM 183 OD1 ASN A 15 -3.855 -8.688 3.043 1.00 0.00 O ATOM 184 ND2 ASN A 15 -3.976 -9.634 5.083 1.00 0.00 N ATOM 0 H ASN A 15 -0.320 -5.804 4.431 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.349 -7.720 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.263 -9.269 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.979 -8.083 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.911 -10.006 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.509 -9.801 5.974 1.00 0.00 H new ATOM 191 N GLY A 16 -2.877 -5.740 2.397 1.00 0.00 N ATOM 192 CA GLY A 16 -3.881 -4.701 2.243 1.00 0.00 C ATOM 193 C GLY A 16 -4.190 -4.452 0.765 1.00 0.00 C ATOM 194 O GLY A 16 -4.840 -5.271 0.116 1.00 0.00 O ATOM 0 H GLY A 16 -2.440 -6.043 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.793 -4.991 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.529 -3.779 2.705 1.00 0.00 H new ATOM 198 N ALA A 17 -3.710 -3.318 0.276 1.00 0.00 N ATOM 199 CA ALA A 17 -3.927 -2.951 -1.113 1.00 0.00 C ATOM 200 C ALA A 17 -3.197 -1.639 -1.409 1.00 0.00 C ATOM 201 O ALA A 17 -3.447 -0.625 -0.759 1.00 0.00 O ATOM 202 CB ALA A 17 -5.429 -2.858 -1.388 1.00 0.00 C ATOM 0 H ALA A 17 -3.172 -2.641 0.817 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.521 -3.712 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.592 -2.583 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.895 -3.823 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.871 -2.102 -0.740 1.00 0.00 H new ATOM 208 N VAL A 18 -2.310 -1.701 -2.391 1.00 0.00 N ATOM 209 CA VAL A 18 -1.542 -0.531 -2.781 1.00 0.00 C ATOM 210 C VAL A 18 -2.187 0.109 -4.013 1.00 0.00 C ATOM 211 O VAL A 18 -3.283 -0.277 -4.415 1.00 0.00 O ATOM 212 CB VAL A 18 -0.078 -0.915 -3.005 1.00 0.00 C ATOM 213 CG1 VAL A 18 0.448 -1.765 -1.847 1.00 0.00 C ATOM 214 CG2 VAL A 18 0.101 -1.638 -4.341 1.00 0.00 C ATOM 0 H VAL A 18 -2.106 -2.544 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.550 0.213 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 18 0.508 0.003 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.491 -2.025 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.373 -1.200 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.144 -2.677 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.151 -1.900 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.503 -2.545 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.217 -0.985 -5.154 1.00 0.00 H new ATOM 224 N ARG A 19 -1.479 1.077 -4.576 1.00 0.00 N ATOM 225 CA ARG A 19 -1.968 1.774 -5.754 1.00 0.00 C ATOM 226 C ARG A 19 -1.040 2.939 -6.105 1.00 0.00 C ATOM 227 O ARG A 19 -0.307 3.433 -5.249 1.00 0.00 O ATOM 228 CB ARG A 19 -3.384 2.309 -5.528 1.00 0.00 C ATOM 229 CG ARG A 19 -4.403 1.531 -6.363 1.00 0.00 C ATOM 230 CD ARG A 19 -4.455 2.060 -7.798 1.00 0.00 C ATOM 231 NE ARG A 19 -5.861 2.182 -8.242 1.00 0.00 N ATOM 232 CZ ARG A 19 -6.230 2.522 -9.484 1.00 0.00 C ATOM 233 NH1 ARG A 19 -5.299 2.776 -10.414 1.00 0.00 N ATOM 234 NH2 ARG A 19 -7.530 2.608 -9.798 1.00 0.00 N ATOM 0 H ARG A 19 -0.571 1.395 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.988 1.060 -6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.641 2.234 -4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.424 3.366 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.140 0.473 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.389 1.611 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.962 3.030 -7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.912 1.387 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.596 1.995 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.309 2.710 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.580 3.035 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.239 2.415 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.810 2.867 -10.744 1.00 0.00 H new ATOM 248 N GLU A 20 -1.102 3.344 -7.365 1.00 0.00 N ATOM 249 CA GLU A 20 -0.277 4.441 -7.839 1.00 0.00 C ATOM 250 C GLU A 20 -0.849 5.779 -7.368 1.00 0.00 C ATOM 251 O GLU A 20 -1.506 6.482 -8.134 1.00 0.00 O ATOM 252 CB GLU A 20 -0.144 4.408 -9.363 1.00 0.00 C ATOM 253 CG GLU A 20 1.326 4.361 -9.785 1.00 0.00 C ATOM 254 CD GLU A 20 1.778 5.710 -10.349 1.00 0.00 C ATOM 255 OE1 GLU A 20 1.156 6.147 -11.341 1.00 0.00 O ATOM 256 OE2 GLU A 20 2.735 6.273 -9.775 1.00 0.00 O ATOM 0 H GLU A 20 -1.711 2.932 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 20 0.721 4.327 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.667 3.537 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.621 5.289 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.946 4.095 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.468 3.583 -10.535 1.00 0.00 H new ATOM 263 N ASN A 21 -0.580 6.091 -6.108 1.00 0.00 N ATOM 264 CA ASN A 21 -1.061 7.332 -5.525 1.00 0.00 C ATOM 265 C ASN A 21 -0.739 7.346 -4.029 1.00 0.00 C ATOM 266 O ASN A 21 0.015 8.197 -3.561 1.00 0.00 O ATOM 267 CB ASN A 21 -2.576 7.464 -5.684 1.00 0.00 C ATOM 268 CG ASN A 21 -2.948 8.818 -6.294 1.00 0.00 C ATOM 269 OD1 ASN A 21 -2.214 9.396 -7.079 1.00 0.00 O ATOM 270 ND2 ASN A 21 -4.124 9.288 -5.890 1.00 0.00 N ATOM 0 H ASN A 21 -0.035 5.506 -5.475 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.571 8.159 -6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.950 6.660 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.058 7.354 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.462 10.185 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.688 8.752 -5.231 1.00 0.00 H new ATOM 277 N TYR A 22 -1.327 6.392 -3.322 1.00 0.00 N ATOM 278 CA TYR A 22 -1.113 6.284 -1.889 1.00 0.00 C ATOM 279 C TYR A 22 -1.451 4.878 -1.388 1.00 0.00 C ATOM 280 O TYR A 22 -2.490 4.323 -1.742 1.00 0.00 O ATOM 281 CB TYR A 22 -2.071 7.287 -1.242 1.00 0.00 C ATOM 282 CG TYR A 22 -3.539 7.075 -1.617 1.00 0.00 C ATOM 283 CD1 TYR A 22 -4.290 6.123 -0.956 1.00 0.00 C ATOM 284 CD2 TYR A 22 -4.114 7.835 -2.615 1.00 0.00 C ATOM 285 CE1 TYR A 22 -5.671 5.923 -1.308 1.00 0.00 C ATOM 286 CE2 TYR A 22 -5.496 7.635 -2.967 1.00 0.00 C ATOM 287 CZ TYR A 22 -6.206 6.689 -2.296 1.00 0.00 C ATOM 288 OH TYR A 22 -7.511 6.501 -2.629 1.00 0.00 O ATOM 0 H TYR A 22 -1.951 5.687 -3.715 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.070 6.482 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.970 7.223 -0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.775 8.295 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.841 5.528 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.527 8.580 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.269 5.181 -0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.958 8.223 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.593 5.703 -3.192 1.00 0.00 H new ATOM 298 N THR A 23 -0.554 4.343 -0.573 1.00 0.00 N ATOM 299 CA THR A 23 -0.744 3.013 -0.021 1.00 0.00 C ATOM 300 C THR A 23 -1.574 3.082 1.262 1.00 0.00 C ATOM 301 O THR A 23 -1.479 4.049 2.016 1.00 0.00 O ATOM 302 CB THR A 23 0.636 2.383 0.181 1.00 0.00 C ATOM 303 OG1 THR A 23 1.402 2.864 -0.921 1.00 0.00 O ATOM 304 CG2 THR A 23 0.621 0.865 -0.009 1.00 0.00 C ATOM 0 H THR A 23 0.306 4.807 -0.282 1.00 0.00 H new ATOM 0 HA THR A 23 -1.310 2.379 -0.703 1.00 0.00 H new ATOM 0 HB THR A 23 1.000 2.619 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.312 2.505 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.625 0.469 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.062 0.415 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.289 0.628 -1.020 1.00 0.00 H new ATOM 312 N TRP A 24 -2.369 2.043 1.471 1.00 0.00 N ATOM 313 CA TRP A 24 -3.215 1.973 2.650 1.00 0.00 C ATOM 314 C TRP A 24 -3.560 0.503 2.899 1.00 0.00 C ATOM 315 O TRP A 24 -3.364 -0.340 2.025 1.00 0.00 O ATOM 316 CB TRP A 24 -4.453 2.858 2.490 1.00 0.00 C ATOM 317 CG TRP A 24 -5.607 2.185 1.746 1.00 0.00 C ATOM 318 CD1 TRP A 24 -5.807 2.114 0.423 1.00 0.00 C ATOM 319 CD2 TRP A 24 -6.721 1.485 2.340 1.00 0.00 C ATOM 320 NE1 TRP A 24 -6.962 1.423 0.121 1.00 0.00 N ATOM 321 CE2 TRP A 24 -7.536 1.028 1.324 1.00 0.00 C ATOM 322 CE3 TRP A 24 -7.030 1.246 3.690 1.00 0.00 C ATOM 323 CZ2 TRP A 24 -8.713 0.304 1.552 1.00 0.00 C ATOM 324 CZ3 TRP A 24 -8.209 0.521 3.902 1.00 0.00 C ATOM 325 CH2 TRP A 24 -9.040 0.054 2.890 1.00 0.00 C ATOM 0 H TRP A 24 -2.445 1.243 0.843 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.691 2.360 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.799 3.162 3.478 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.171 3.766 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.146 2.544 -0.315 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.328 1.236 -0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -6.407 1.594 4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -9.335 -0.043 0.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.493 0.310 4.923 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.934 -0.500 3.135 1.00 0.00 H new ATOM 336 N SER A 25 -4.066 0.242 4.095 1.00 0.00 N ATOM 337 CA SER A 25 -4.439 -1.112 4.470 1.00 0.00 C ATOM 338 C SER A 25 -5.572 -1.076 5.498 1.00 0.00 C ATOM 339 O SER A 25 -5.737 -0.088 6.211 1.00 0.00 O ATOM 340 CB SER A 25 -3.240 -1.879 5.029 1.00 0.00 C ATOM 341 OG SER A 25 -2.483 -1.093 5.945 1.00 0.00 O ATOM 0 H SER A 25 -4.227 0.944 4.817 1.00 0.00 H new ATOM 0 HA SER A 25 -4.783 -1.632 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.589 -2.783 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.598 -2.197 4.207 1.00 0.00 H new ATOM 0 HG SER A 25 -1.727 -1.619 6.281 1.00 0.00 H new ATOM 347 N GLN A 26 -6.324 -2.167 5.540 1.00 0.00 N ATOM 348 CA GLN A 26 -7.436 -2.273 6.469 1.00 0.00 C ATOM 349 C GLN A 26 -7.106 -3.271 7.580 1.00 0.00 C ATOM 350 O GLN A 26 -6.646 -4.379 7.308 1.00 0.00 O ATOM 351 CB GLN A 26 -8.722 -2.668 5.741 1.00 0.00 C ATOM 352 CG GLN A 26 -9.866 -2.894 6.731 1.00 0.00 C ATOM 353 CD GLN A 26 -11.009 -3.677 6.081 1.00 0.00 C ATOM 354 OE1 GLN A 26 -10.953 -4.059 4.924 1.00 0.00 O ATOM 355 NE2 GLN A 26 -12.044 -3.892 6.887 1.00 0.00 N ATOM 0 H GLN A 26 -6.185 -2.984 4.946 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.600 -1.296 6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.998 -1.886 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.552 -3.576 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.497 -3.438 7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.236 -1.934 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.025 -3.544 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.857 -4.405 6.547 1.00 0.00 H new ATOM 364 N ASP A 27 -7.355 -2.843 8.810 1.00 0.00 N ATOM 365 CA ASP A 27 -7.090 -3.686 9.963 1.00 0.00 C ATOM 366 C ASP A 27 -8.401 -3.951 10.707 1.00 0.00 C ATOM 367 O ASP A 27 -9.454 -3.452 10.314 1.00 0.00 O ATOM 368 CB ASP A 27 -6.126 -3.002 10.935 1.00 0.00 C ATOM 369 CG ASP A 27 -4.644 -3.150 10.585 1.00 0.00 C ATOM 370 OD1 ASP A 27 -4.359 -3.321 9.380 1.00 0.00 O ATOM 371 OD2 ASP A 27 -3.829 -3.089 11.531 1.00 0.00 O ATOM 0 H ASP A 27 -7.737 -1.924 9.032 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.645 -4.615 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.370 -1.940 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.291 -3.408 11.933 1.00 0.00 H new ATOM 376 N TYR A 28 -8.293 -4.737 11.768 1.00 0.00 N ATOM 377 CA TYR A 28 -9.456 -5.075 12.570 1.00 0.00 C ATOM 378 C TYR A 28 -10.384 -3.868 12.727 1.00 0.00 C ATOM 379 O TYR A 28 -11.548 -3.920 12.333 1.00 0.00 O ATOM 380 CB TYR A 28 -8.919 -5.472 13.946 1.00 0.00 C ATOM 381 CG TYR A 28 -9.893 -6.311 14.776 1.00 0.00 C ATOM 382 CD1 TYR A 28 -10.542 -7.385 14.202 1.00 0.00 C ATOM 383 CD2 TYR A 28 -10.122 -5.994 16.100 1.00 0.00 C ATOM 384 CE1 TYR A 28 -11.458 -8.175 14.983 1.00 0.00 C ATOM 385 CE2 TYR A 28 -11.039 -6.784 16.881 1.00 0.00 C ATOM 386 CZ TYR A 28 -11.661 -7.835 16.284 1.00 0.00 C ATOM 387 OH TYR A 28 -12.527 -8.581 17.022 1.00 0.00 O ATOM 0 H TYR A 28 -7.418 -5.149 12.091 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.028 -5.874 12.098 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.993 -6.032 13.815 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.669 -4.568 14.502 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.363 -7.633 13.166 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.614 -5.154 16.550 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.972 -9.018 14.546 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.228 -6.547 17.917 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.572 -8.223 17.933 1.00 0.00 H new ATOM 397 N THR A 29 -9.833 -2.810 13.303 1.00 0.00 N ATOM 398 CA THR A 29 -10.596 -1.592 13.517 1.00 0.00 C ATOM 399 C THR A 29 -9.677 -0.371 13.464 1.00 0.00 C ATOM 400 O THR A 29 -9.472 0.301 14.474 1.00 0.00 O ATOM 401 CB THR A 29 -11.347 -1.731 14.843 1.00 0.00 C ATOM 402 OG1 THR A 29 -11.825 -0.416 15.111 1.00 0.00 O ATOM 403 CG2 THR A 29 -10.413 -2.035 16.016 1.00 0.00 C ATOM 0 H THR A 29 -8.867 -2.771 13.628 1.00 0.00 H new ATOM 0 HA THR A 29 -11.330 -1.441 12.726 1.00 0.00 H new ATOM 0 HB THR A 29 -12.091 -2.523 14.757 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.065 0.192 15.225 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.997 -2.124 16.932 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.887 -2.971 15.829 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.689 -1.227 16.124 1.00 0.00 H new ATOM 411 N ASP A 30 -9.147 -0.119 12.276 1.00 0.00 N ATOM 412 CA ASP A 30 -8.254 1.010 12.079 1.00 0.00 C ATOM 413 C ASP A 30 -7.655 0.941 10.673 1.00 0.00 C ATOM 414 O ASP A 30 -7.537 -0.140 10.097 1.00 0.00 O ATOM 415 CB ASP A 30 -7.103 0.984 13.085 1.00 0.00 C ATOM 416 CG ASP A 30 -6.510 -0.400 13.354 1.00 0.00 C ATOM 417 OD1 ASP A 30 -7.251 -1.236 13.914 1.00 0.00 O ATOM 418 OD2 ASP A 30 -5.328 -0.591 12.993 1.00 0.00 O ATOM 0 H ASP A 30 -9.319 -0.678 11.440 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.831 1.924 12.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.310 1.638 12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.455 1.401 14.028 1.00 0.00 H new ATOM 423 N LEU A 31 -7.292 2.108 10.161 1.00 0.00 N ATOM 424 CA LEU A 31 -6.708 2.193 8.833 1.00 0.00 C ATOM 425 C LEU A 31 -5.352 2.896 8.921 1.00 0.00 C ATOM 426 O LEU A 31 -5.099 3.649 9.861 1.00 0.00 O ATOM 427 CB LEU A 31 -7.683 2.858 7.860 1.00 0.00 C ATOM 428 CG LEU A 31 -9.127 2.352 7.906 1.00 0.00 C ATOM 429 CD1 LEU A 31 -10.024 3.324 8.674 1.00 0.00 C ATOM 430 CD2 LEU A 31 -9.656 2.075 6.498 1.00 0.00 C ATOM 0 H LEU A 31 -7.391 3.002 10.642 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.525 1.196 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.688 3.930 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.304 2.723 6.847 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.140 1.406 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.044 2.941 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.658 3.428 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.010 4.297 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.684 1.717 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.626 2.993 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.036 1.318 6.019 1.00 0.00 H new ATOM 442 N GLU A 32 -4.516 2.627 7.930 1.00 0.00 N ATOM 443 CA GLU A 32 -3.192 3.225 7.884 1.00 0.00 C ATOM 444 C GLU A 32 -2.771 3.471 6.434 1.00 0.00 C ATOM 445 O GLU A 32 -2.469 2.529 5.703 1.00 0.00 O ATOM 446 CB GLU A 32 -2.169 2.349 8.611 1.00 0.00 C ATOM 447 CG GLU A 32 -1.533 3.103 9.780 1.00 0.00 C ATOM 448 CD GLU A 32 -0.511 2.227 10.507 1.00 0.00 C ATOM 449 OE1 GLU A 32 0.564 1.997 9.912 1.00 0.00 O ATOM 450 OE2 GLU A 32 -0.828 1.807 11.641 1.00 0.00 O ATOM 0 H GLU A 32 -4.729 2.003 7.152 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.230 4.185 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.655 1.445 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.394 2.033 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.047 4.007 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.308 3.419 10.478 1.00 0.00 H new ATOM 457 N VAL A 33 -2.764 4.743 6.061 1.00 0.00 N ATOM 458 CA VAL A 33 -2.385 5.125 4.712 1.00 0.00 C ATOM 459 C VAL A 33 -1.070 5.906 4.758 1.00 0.00 C ATOM 460 O VAL A 33 -0.973 6.924 5.441 1.00 0.00 O ATOM 461 CB VAL A 33 -3.522 5.906 4.050 1.00 0.00 C ATOM 462 CG1 VAL A 33 -4.288 6.737 5.081 1.00 0.00 C ATOM 463 CG2 VAL A 33 -2.994 6.788 2.917 1.00 0.00 C ATOM 0 H VAL A 33 -3.015 5.522 6.670 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.216 4.240 4.098 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.216 5.186 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.091 7.282 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.712 6.077 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.608 7.444 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.822 7.332 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.269 7.497 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.514 6.164 2.163 1.00 0.00 H new ATOM 473 N ARG A 34 -0.092 5.400 4.022 1.00 0.00 N ATOM 474 CA ARG A 34 1.213 6.039 3.970 1.00 0.00 C ATOM 475 C ARG A 34 1.474 6.600 2.571 1.00 0.00 C ATOM 476 O ARG A 34 1.410 5.870 1.583 1.00 0.00 O ATOM 477 CB ARG A 34 2.324 5.051 4.331 1.00 0.00 C ATOM 478 CG ARG A 34 2.448 4.896 5.848 1.00 0.00 C ATOM 479 CD ARG A 34 1.915 3.536 6.306 1.00 0.00 C ATOM 480 NE ARG A 34 3.026 2.562 6.396 1.00 0.00 N ATOM 481 CZ ARG A 34 2.955 1.400 7.060 1.00 0.00 C ATOM 482 NH1 ARG A 34 1.825 1.061 7.696 1.00 0.00 N ATOM 483 NH2 ARG A 34 4.013 0.579 7.088 1.00 0.00 N ATOM 0 H ARG A 34 -0.176 4.555 3.457 1.00 0.00 H new ATOM 0 HA ARG A 34 1.214 6.851 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.115 4.082 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.272 5.397 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.492 5.000 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.895 5.693 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.428 3.635 7.276 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.161 3.177 5.605 1.00 0.00 H new ATOM 0 HE ARG A 34 3.901 2.789 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.020 1.687 7.674 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.770 0.177 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.873 0.838 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.959 -0.305 7.593 1.00 0.00 H new ATOM 497 N VAL A 35 1.763 7.892 2.531 1.00 0.00 N ATOM 498 CA VAL A 35 2.034 8.560 1.269 1.00 0.00 C ATOM 499 C VAL A 35 3.536 8.829 1.152 1.00 0.00 C ATOM 500 O VAL A 35 4.158 9.317 2.094 1.00 0.00 O ATOM 501 CB VAL A 35 1.189 9.830 1.157 1.00 0.00 C ATOM 502 CG1 VAL A 35 1.399 10.511 -0.197 1.00 0.00 C ATOM 503 CG2 VAL A 35 -0.292 9.526 1.394 1.00 0.00 C ATOM 0 H VAL A 35 1.816 8.495 3.352 1.00 0.00 H new ATOM 0 HA VAL A 35 1.751 7.923 0.431 1.00 0.00 H new ATOM 0 HB VAL A 35 1.518 10.520 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.787 11.411 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.449 10.779 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.111 9.828 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.870 10.446 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.640 8.809 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.422 9.107 2.392 1.00 0.00 H new ATOM 513 N PRO A 36 4.089 8.490 -0.044 1.00 0.00 N ATOM 514 CA PRO A 36 5.506 8.690 -0.296 1.00 0.00 C ATOM 515 C PRO A 36 5.817 10.170 -0.532 1.00 0.00 C ATOM 516 O PRO A 36 5.076 10.860 -1.230 1.00 0.00 O ATOM 517 CB PRO A 36 5.817 7.818 -1.502 1.00 0.00 C ATOM 518 CG PRO A 36 4.479 7.526 -2.162 1.00 0.00 C ATOM 519 CD PRO A 36 3.382 7.910 -1.182 1.00 0.00 C ATOM 0 HA PRO A 36 6.129 8.409 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.489 8.330 -2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.313 6.896 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.379 8.092 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.405 6.470 -2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.689 8.625 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.796 7.041 -0.883 1.00 0.00 H new ATOM 527 N VAL A 37 6.914 10.613 0.064 1.00 0.00 N ATOM 528 CA VAL A 37 7.333 11.997 -0.072 1.00 0.00 C ATOM 529 C VAL A 37 8.761 12.042 -0.619 1.00 0.00 C ATOM 530 O VAL A 37 9.505 11.069 -0.504 1.00 0.00 O ATOM 531 CB VAL A 37 7.182 12.724 1.266 1.00 0.00 C ATOM 532 CG1 VAL A 37 5.729 12.692 1.746 1.00 0.00 C ATOM 533 CG2 VAL A 37 8.121 12.133 2.320 1.00 0.00 C ATOM 0 H VAL A 37 7.526 10.037 0.643 1.00 0.00 H new ATOM 0 HA VAL A 37 6.695 12.520 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 37 7.462 13.766 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.649 13.215 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.092 13.180 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.410 11.657 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.994 12.668 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.886 11.079 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.153 12.231 1.984 1.00 0.00 H new ATOM 543 N PRO A 38 9.112 13.212 -1.216 1.00 0.00 N ATOM 544 CA PRO A 38 10.438 13.397 -1.781 1.00 0.00 C ATOM 545 C PRO A 38 11.478 13.609 -0.679 1.00 0.00 C ATOM 546 O PRO A 38 11.138 13.643 0.502 1.00 0.00 O ATOM 547 CB PRO A 38 10.306 14.592 -2.711 1.00 0.00 C ATOM 548 CG PRO A 38 9.040 15.316 -2.284 1.00 0.00 C ATOM 549 CD PRO A 38 8.257 14.386 -1.370 1.00 0.00 C ATOM 0 HA PRO A 38 10.789 12.521 -2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.175 15.246 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.241 14.272 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.286 16.243 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.443 15.587 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.052 14.856 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.294 14.120 -1.806 1.00 0.00 H new ATOM 557 N LYS A 39 12.725 13.745 -1.105 1.00 0.00 N ATOM 558 CA LYS A 39 13.817 13.952 -0.170 1.00 0.00 C ATOM 559 C LYS A 39 13.939 15.445 0.142 1.00 0.00 C ATOM 560 O LYS A 39 14.928 15.881 0.731 1.00 0.00 O ATOM 561 CB LYS A 39 15.107 13.329 -0.705 1.00 0.00 C ATOM 562 CG LYS A 39 14.849 11.928 -1.263 1.00 0.00 C ATOM 563 CD LYS A 39 15.086 10.859 -0.194 1.00 0.00 C ATOM 564 CE LYS A 39 16.260 9.954 -0.575 1.00 0.00 C ATOM 565 NZ LYS A 39 16.490 8.935 0.473 1.00 0.00 N ATOM 0 H LYS A 39 13.003 13.716 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 39 13.612 13.444 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.525 13.964 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.848 13.276 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.824 11.861 -1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.503 11.746 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.287 11.337 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.185 10.259 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.056 9.465 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.160 10.554 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.290 8.329 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.706 9.407 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.636 8.352 0.583 1.00 0.00 H new ATOM 579 N HIS A 40 12.921 16.188 -0.266 1.00 0.00 N ATOM 580 CA HIS A 40 12.901 17.623 -0.037 1.00 0.00 C ATOM 581 C HIS A 40 11.773 17.972 0.935 1.00 0.00 C ATOM 582 O HIS A 40 11.618 19.130 1.321 1.00 0.00 O ATOM 583 CB HIS A 40 12.800 18.382 -1.361 1.00 0.00 C ATOM 584 CG HIS A 40 11.428 18.338 -1.991 1.00 0.00 C ATOM 585 ND1 HIS A 40 11.163 17.648 -3.161 1.00 0.00 N ATOM 586 CD2 HIS A 40 10.250 18.903 -1.601 1.00 0.00 C ATOM 587 CE1 HIS A 40 9.879 17.800 -3.454 1.00 0.00 C ATOM 588 NE2 HIS A 40 9.315 18.578 -2.486 1.00 0.00 N ATOM 0 H HIS A 40 12.103 15.823 -0.754 1.00 0.00 H new ATOM 0 HA HIS A 40 13.839 17.935 0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 40 13.079 19.422 -1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.524 17.967 -2.062 1.00 0.00 H new ATOM 0 HD1 HIS A 40 11.840 17.114 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.102 19.512 -0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.369 17.381 -4.309 1.00 0.00 H new ATOM 596 N VAL A 41 11.015 16.950 1.304 1.00 0.00 N ATOM 597 CA VAL A 41 9.906 17.135 2.224 1.00 0.00 C ATOM 598 C VAL A 41 10.316 16.648 3.615 1.00 0.00 C ATOM 599 O VAL A 41 10.464 15.448 3.838 1.00 0.00 O ATOM 600 CB VAL A 41 8.658 16.430 1.688 1.00 0.00 C ATOM 601 CG1 VAL A 41 7.628 16.218 2.799 1.00 0.00 C ATOM 602 CG2 VAL A 41 8.051 17.205 0.517 1.00 0.00 C ATOM 0 H VAL A 41 11.147 15.991 0.982 1.00 0.00 H new ATOM 0 HA VAL A 41 9.654 18.192 2.311 1.00 0.00 H new ATOM 0 HB VAL A 41 8.959 15.449 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.751 15.715 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.064 15.604 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.334 17.183 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.166 16.683 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.772 18.205 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.782 17.280 -0.288 1.00 0.00 H new ATOM 612 N VAL A 42 10.488 17.605 4.515 1.00 0.00 N ATOM 613 CA VAL A 42 10.879 17.289 5.878 1.00 0.00 C ATOM 614 C VAL A 42 9.906 17.960 6.851 1.00 0.00 C ATOM 615 O VAL A 42 9.507 17.359 7.848 1.00 0.00 O ATOM 616 CB VAL A 42 12.335 17.696 6.113 1.00 0.00 C ATOM 617 CG1 VAL A 42 13.291 16.777 5.349 1.00 0.00 C ATOM 618 CG2 VAL A 42 12.563 19.161 5.736 1.00 0.00 C ATOM 0 H VAL A 42 10.364 18.600 4.327 1.00 0.00 H new ATOM 0 HA VAL A 42 10.824 16.214 6.052 1.00 0.00 H new ATOM 0 HB VAL A 42 12.546 17.588 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.319 17.088 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.156 15.750 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.079 16.838 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.606 19.424 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.326 19.307 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 42 11.920 19.797 6.344 1.00 0.00 H new ATOM 628 N LYS A 43 9.554 19.195 6.528 1.00 0.00 N ATOM 629 CA LYS A 43 8.636 19.953 7.361 1.00 0.00 C ATOM 630 C LYS A 43 7.199 19.533 7.042 1.00 0.00 C ATOM 631 O LYS A 43 6.911 19.084 5.934 1.00 0.00 O ATOM 632 CB LYS A 43 8.886 21.455 7.204 1.00 0.00 C ATOM 633 CG LYS A 43 9.942 21.941 8.200 1.00 0.00 C ATOM 634 CD LYS A 43 10.831 23.017 7.574 1.00 0.00 C ATOM 635 CE LYS A 43 12.306 22.613 7.637 1.00 0.00 C ATOM 636 NZ LYS A 43 13.012 23.040 6.408 1.00 0.00 N ATOM 0 H LYS A 43 9.888 19.690 5.701 1.00 0.00 H new ATOM 0 HA LYS A 43 8.807 19.732 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.214 21.669 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.955 22.001 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.453 22.340 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.556 21.100 8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.538 23.178 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.686 23.963 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.776 23.066 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.389 21.533 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.012 22.759 6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.573 22.588 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.948 24.074 6.312 1.00 0.00 H new ATOM 650 N GLY A 44 6.336 19.695 8.034 1.00 0.00 N ATOM 651 CA GLY A 44 4.936 19.338 7.874 1.00 0.00 C ATOM 652 C GLY A 44 4.161 20.459 7.179 1.00 0.00 C ATOM 653 O GLY A 44 3.023 20.262 6.755 1.00 0.00 O ATOM 0 H GLY A 44 6.579 20.069 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.855 18.420 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.494 19.136 8.850 1.00 0.00 H new ATOM 657 N LYS A 45 4.808 21.612 7.083 1.00 0.00 N ATOM 658 CA LYS A 45 4.193 22.764 6.447 1.00 0.00 C ATOM 659 C LYS A 45 4.308 22.625 4.928 1.00 0.00 C ATOM 660 O LYS A 45 3.650 23.348 4.183 1.00 0.00 O ATOM 661 CB LYS A 45 4.794 24.061 6.993 1.00 0.00 C ATOM 662 CG LYS A 45 6.209 24.279 6.454 1.00 0.00 C ATOM 663 CD LYS A 45 6.537 25.771 6.360 1.00 0.00 C ATOM 664 CE LYS A 45 8.006 25.988 5.994 1.00 0.00 C ATOM 665 NZ LYS A 45 8.876 25.721 7.162 1.00 0.00 N ATOM 0 H LYS A 45 5.752 21.772 7.435 1.00 0.00 H new ATOM 0 HA LYS A 45 3.130 22.807 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.161 24.904 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.817 24.025 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.930 23.785 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.302 23.820 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.899 26.241 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.321 26.255 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.282 25.331 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.154 27.011 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.865 25.922 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.589 26.330 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.786 24.723 7.441 1.00 0.00 H new ATOM 679 N GLN A 46 5.150 21.689 4.514 1.00 0.00 N ATOM 680 CA GLN A 46 5.360 21.445 3.097 1.00 0.00 C ATOM 681 C GLN A 46 4.285 20.501 2.556 1.00 0.00 C ATOM 682 O GLN A 46 4.134 20.355 1.344 1.00 0.00 O ATOM 683 CB GLN A 46 6.761 20.887 2.838 1.00 0.00 C ATOM 684 CG GLN A 46 7.826 21.735 3.534 1.00 0.00 C ATOM 685 CD GLN A 46 9.129 21.746 2.732 1.00 0.00 C ATOM 686 OE1 GLN A 46 9.365 20.618 2.068 1.00 0.00 O flip ATOM 687 NE2 GLN A 46 9.872 22.714 2.717 1.00 0.00 N flip ATOM 0 H GLN A 46 5.695 21.091 5.135 1.00 0.00 H new ATOM 0 HA GLN A 46 5.280 22.395 2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.819 19.859 3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.954 20.863 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.461 22.755 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.013 21.342 4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.631 23.550 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.734 22.687 2.172 1.00 0.00 H new ATOM 696 N VAL A 47 3.564 19.884 3.481 1.00 0.00 N ATOM 697 CA VAL A 47 2.507 18.958 3.112 1.00 0.00 C ATOM 698 C VAL A 47 1.181 19.443 3.701 1.00 0.00 C ATOM 699 O VAL A 47 1.143 19.940 4.826 1.00 0.00 O ATOM 700 CB VAL A 47 2.876 17.540 3.555 1.00 0.00 C ATOM 701 CG1 VAL A 47 3.394 16.715 2.375 1.00 0.00 C ATOM 702 CG2 VAL A 47 3.896 17.569 4.694 1.00 0.00 C ATOM 0 H VAL A 47 3.691 20.007 4.485 1.00 0.00 H new ATOM 0 HA VAL A 47 2.388 18.925 2.029 1.00 0.00 H new ATOM 0 HB VAL A 47 1.972 17.060 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.649 15.712 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.622 16.652 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.281 17.193 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.141 16.549 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.801 18.077 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.475 18.102 5.546 1.00 0.00 H new ATOM 712 N SER A 48 0.127 19.281 2.915 1.00 0.00 N ATOM 713 CA SER A 48 -1.197 19.696 3.345 1.00 0.00 C ATOM 714 C SER A 48 -2.017 18.475 3.768 1.00 0.00 C ATOM 715 O SER A 48 -2.006 17.450 3.089 1.00 0.00 O ATOM 716 CB SER A 48 -1.921 20.463 2.237 1.00 0.00 C ATOM 717 OG SER A 48 -1.041 21.325 1.521 1.00 0.00 O ATOM 0 H SER A 48 0.163 18.868 1.983 1.00 0.00 H new ATOM 0 HA SER A 48 -1.085 20.364 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.378 19.755 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.730 21.051 2.672 1.00 0.00 H new ATOM 0 HG SER A 48 -1.541 21.795 0.822 1.00 0.00 H new ATOM 723 N VAL A 49 -2.708 18.626 4.889 1.00 0.00 N ATOM 724 CA VAL A 49 -3.532 17.549 5.410 1.00 0.00 C ATOM 725 C VAL A 49 -4.841 18.128 5.948 1.00 0.00 C ATOM 726 O VAL A 49 -4.840 18.866 6.933 1.00 0.00 O ATOM 727 CB VAL A 49 -2.752 16.756 6.462 1.00 0.00 C ATOM 728 CG1 VAL A 49 -3.669 15.784 7.206 1.00 0.00 C ATOM 729 CG2 VAL A 49 -1.570 16.020 5.828 1.00 0.00 C ATOM 0 H VAL A 49 -2.714 19.478 5.450 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.789 16.847 4.617 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.354 17.464 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.090 15.233 7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.462 16.341 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.110 15.084 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.033 15.465 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.937 15.328 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.897 16.742 5.365 1.00 0.00 H new ATOM 739 N ALA A 50 -5.928 17.772 5.279 1.00 0.00 N ATOM 740 CA ALA A 50 -7.242 18.248 5.677 1.00 0.00 C ATOM 741 C ALA A 50 -8.070 17.071 6.196 1.00 0.00 C ATOM 742 O ALA A 50 -8.400 16.158 5.440 1.00 0.00 O ATOM 743 CB ALA A 50 -7.909 18.955 4.496 1.00 0.00 C ATOM 0 H ALA A 50 -5.926 17.159 4.464 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.158 18.974 6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.895 19.312 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.296 19.801 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.013 18.257 3.665 1.00 0.00 H new ATOM 749 N LEU A 51 -8.382 17.129 7.483 1.00 0.00 N ATOM 750 CA LEU A 51 -9.165 16.079 8.111 1.00 0.00 C ATOM 751 C LEU A 51 -10.518 16.647 8.544 1.00 0.00 C ATOM 752 O LEU A 51 -10.575 17.618 9.297 1.00 0.00 O ATOM 753 CB LEU A 51 -8.376 15.432 9.252 1.00 0.00 C ATOM 754 CG LEU A 51 -7.170 14.586 8.838 1.00 0.00 C ATOM 755 CD1 LEU A 51 -6.326 14.203 10.055 1.00 0.00 C ATOM 756 CD2 LEU A 51 -7.611 13.359 8.036 1.00 0.00 C ATOM 0 H LEU A 51 -8.106 17.887 8.107 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.368 15.278 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.030 16.220 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.056 14.803 9.827 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.538 15.187 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.475 13.602 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.967 15.107 10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.934 13.627 10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.735 12.775 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.276 12.746 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.137 13.681 7.137 1.00 0.00 H new ATOM 768 N SER A 52 -11.574 16.018 8.050 1.00 0.00 N ATOM 769 CA SER A 52 -12.922 16.449 8.376 1.00 0.00 C ATOM 770 C SER A 52 -13.708 15.289 8.992 1.00 0.00 C ATOM 771 O SER A 52 -14.082 15.341 10.162 1.00 0.00 O ATOM 772 CB SER A 52 -13.645 16.981 7.137 1.00 0.00 C ATOM 773 OG SER A 52 -13.405 18.371 6.935 1.00 0.00 O ATOM 0 H SER A 52 -11.523 15.213 7.426 1.00 0.00 H new ATOM 0 HA SER A 52 -12.856 17.260 9.101 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.317 16.425 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.716 16.809 7.241 1.00 0.00 H new ATOM 0 HG SER A 52 -13.882 18.672 6.134 1.00 0.00 H new ATOM 779 N SER A 53 -13.934 14.270 8.175 1.00 0.00 N ATOM 780 CA SER A 53 -14.668 13.100 8.625 1.00 0.00 C ATOM 781 C SER A 53 -14.817 12.102 7.475 1.00 0.00 C ATOM 782 O SER A 53 -14.428 10.942 7.601 1.00 0.00 O ATOM 783 CB SER A 53 -16.043 13.488 9.172 1.00 0.00 C ATOM 784 OG SER A 53 -16.880 14.047 8.163 1.00 0.00 O ATOM 0 H SER A 53 -13.622 14.231 7.205 1.00 0.00 H new ATOM 0 HA SER A 53 -14.105 12.633 9.433 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.526 12.608 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.921 14.207 9.982 1.00 0.00 H new ATOM 0 HG SER A 53 -17.749 14.280 8.551 1.00 0.00 H new ATOM 790 N SER A 54 -15.380 12.589 6.380 1.00 0.00 N ATOM 791 CA SER A 54 -15.585 11.754 5.208 1.00 0.00 C ATOM 792 C SER A 54 -14.835 12.341 4.010 1.00 0.00 C ATOM 793 O SER A 54 -15.265 12.186 2.868 1.00 0.00 O ATOM 794 CB SER A 54 -17.074 11.613 4.886 1.00 0.00 C ATOM 795 OG SER A 54 -17.495 10.252 4.890 1.00 0.00 O ATOM 0 H SER A 54 -15.701 13.552 6.279 1.00 0.00 H new ATOM 0 HA SER A 54 -15.192 10.760 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.657 12.175 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.277 12.052 3.909 1.00 0.00 H new ATOM 0 HG SER A 54 -16.709 9.667 4.869 1.00 0.00 H new ATOM 801 N SER A 55 -13.728 13.002 4.312 1.00 0.00 N ATOM 802 CA SER A 55 -12.914 13.612 3.274 1.00 0.00 C ATOM 803 C SER A 55 -11.453 13.674 3.723 1.00 0.00 C ATOM 804 O SER A 55 -11.171 13.819 4.912 1.00 0.00 O ATOM 805 CB SER A 55 -13.423 15.013 2.928 1.00 0.00 C ATOM 806 OG SER A 55 -14.208 15.570 3.978 1.00 0.00 O ATOM 0 H SER A 55 -13.375 13.129 5.261 1.00 0.00 H new ATOM 0 HA SER A 55 -12.986 12.997 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.575 15.667 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.018 14.968 2.016 1.00 0.00 H new ATOM 0 HG SER A 55 -14.513 16.465 3.719 1.00 0.00 H new ATOM 812 N ILE A 56 -10.562 13.563 2.749 1.00 0.00 N ATOM 813 CA ILE A 56 -9.137 13.604 3.029 1.00 0.00 C ATOM 814 C ILE A 56 -8.428 14.394 1.927 1.00 0.00 C ATOM 815 O ILE A 56 -8.882 14.417 0.784 1.00 0.00 O ATOM 816 CB ILE A 56 -8.588 12.190 3.222 1.00 0.00 C ATOM 817 CG1 ILE A 56 -7.063 12.207 3.351 1.00 0.00 C ATOM 818 CG2 ILE A 56 -9.058 11.261 2.101 1.00 0.00 C ATOM 819 CD1 ILE A 56 -6.397 12.227 1.974 1.00 0.00 C ATOM 0 H ILE A 56 -10.800 13.445 1.764 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.948 14.125 3.968 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.986 11.794 4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.752 13.082 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.732 11.330 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.653 10.262 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.147 11.215 2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.709 11.643 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.314 12.239 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.691 11.339 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.712 13.118 1.431 1.00 0.00 H new ATOM 831 N ARG A 57 -7.327 15.023 2.309 1.00 0.00 N ATOM 832 CA ARG A 57 -6.550 15.812 1.368 1.00 0.00 C ATOM 833 C ARG A 57 -5.056 15.679 1.669 1.00 0.00 C ATOM 834 O ARG A 57 -4.621 15.926 2.793 1.00 0.00 O ATOM 835 CB ARG A 57 -6.946 17.289 1.429 1.00 0.00 C ATOM 836 CG ARG A 57 -6.861 17.937 0.046 1.00 0.00 C ATOM 837 CD ARG A 57 -6.085 19.255 0.105 1.00 0.00 C ATOM 838 NE ARG A 57 -5.963 19.832 -1.252 1.00 0.00 N ATOM 839 CZ ARG A 57 -5.060 20.760 -1.596 1.00 0.00 C ATOM 840 NH1 ARG A 57 -4.194 21.222 -0.684 1.00 0.00 N ATOM 841 NH2 ARG A 57 -5.023 21.226 -2.852 1.00 0.00 N ATOM 0 H ARG A 57 -6.954 15.003 3.258 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.757 15.433 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.961 17.381 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.291 17.816 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.373 17.254 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.865 18.119 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.596 19.958 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.095 19.085 0.527 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.607 19.502 -1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.222 20.867 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.506 21.929 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.682 20.874 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.335 21.933 -3.114 1.00 0.00 H new ATOM 855 N VAL A 58 -4.311 15.289 0.645 1.00 0.00 N ATOM 856 CA VAL A 58 -2.875 15.120 0.786 1.00 0.00 C ATOM 857 C VAL A 58 -2.169 15.784 -0.398 1.00 0.00 C ATOM 858 O VAL A 58 -2.424 15.439 -1.551 1.00 0.00 O ATOM 859 CB VAL A 58 -2.534 13.635 0.928 1.00 0.00 C ATOM 860 CG1 VAL A 58 -1.023 13.427 1.040 1.00 0.00 C ATOM 861 CG2 VAL A 58 -3.263 13.017 2.123 1.00 0.00 C ATOM 0 H VAL A 58 -4.675 15.085 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.520 15.610 1.693 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.876 13.126 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.809 12.363 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.535 13.813 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.647 13.957 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.003 11.961 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.966 13.532 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.339 13.116 1.984 1.00 0.00 H new ATOM 871 N ALA A 59 -1.296 16.726 -0.072 1.00 0.00 N ATOM 872 CA ALA A 59 -0.552 17.442 -1.094 1.00 0.00 C ATOM 873 C ALA A 59 0.806 17.864 -0.529 1.00 0.00 C ATOM 874 O ALA A 59 0.901 18.272 0.628 1.00 0.00 O ATOM 875 CB ALA A 59 -1.375 18.635 -1.584 1.00 0.00 C ATOM 0 H ALA A 59 -1.087 17.010 0.885 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.366 16.799 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.817 19.172 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.317 18.280 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.579 19.304 -0.748 1.00 0.00 H new ATOM 881 N MET A 60 1.823 17.750 -1.370 1.00 0.00 N ATOM 882 CA MET A 60 3.171 18.114 -0.969 1.00 0.00 C ATOM 883 C MET A 60 3.697 19.280 -1.809 1.00 0.00 C ATOM 884 O MET A 60 3.493 19.317 -3.022 1.00 0.00 O ATOM 885 CB MET A 60 4.096 16.907 -1.133 1.00 0.00 C ATOM 886 CG MET A 60 4.000 16.331 -2.548 1.00 0.00 C ATOM 887 SD MET A 60 5.620 15.848 -3.121 1.00 0.00 S ATOM 888 CE MET A 60 6.411 17.446 -3.201 1.00 0.00 C ATOM 0 H MET A 60 1.740 17.410 -2.328 1.00 0.00 H new ATOM 0 HA MET A 60 3.148 18.425 0.075 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.125 17.202 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.831 16.140 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.331 15.470 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.572 17.072 -3.223 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.178 17.434 -3.975 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.669 18.208 -3.438 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.870 17.673 -2.239 1.00 0.00 H new ATOM 898 N LEU A 61 4.365 20.202 -1.132 1.00 0.00 N ATOM 899 CA LEU A 61 4.922 21.365 -1.801 1.00 0.00 C ATOM 900 C LEU A 61 6.034 20.918 -2.752 1.00 0.00 C ATOM 901 O LEU A 61 6.829 20.042 -2.414 1.00 0.00 O ATOM 902 CB LEU A 61 5.372 22.408 -0.776 1.00 0.00 C ATOM 903 CG LEU A 61 4.257 23.106 0.005 1.00 0.00 C ATOM 904 CD1 LEU A 61 4.718 24.473 0.517 1.00 0.00 C ATOM 905 CD2 LEU A 61 2.981 23.209 -0.834 1.00 0.00 C ATOM 0 H LEU A 61 4.533 20.167 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 61 4.161 21.856 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.039 21.923 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.957 23.168 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 61 4.020 22.498 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.906 24.948 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.577 24.344 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.999 25.102 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.204 23.709 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.185 23.782 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.643 22.209 -1.107 1.00 0.00 H new ATOM 917 N GLU A 62 6.053 21.538 -3.922 1.00 0.00 N ATOM 918 CA GLU A 62 7.055 21.215 -4.924 1.00 0.00 C ATOM 919 C GLU A 62 8.132 22.300 -4.968 1.00 0.00 C ATOM 920 O GLU A 62 8.127 23.218 -4.149 1.00 0.00 O ATOM 921 CB GLU A 62 6.412 21.024 -6.299 1.00 0.00 C ATOM 922 CG GLU A 62 5.602 19.727 -6.351 1.00 0.00 C ATOM 923 CD GLU A 62 6.398 18.610 -7.031 1.00 0.00 C ATOM 924 OE1 GLU A 62 7.614 18.529 -6.751 1.00 0.00 O ATOM 925 OE2 GLU A 62 5.773 17.864 -7.815 1.00 0.00 O ATOM 0 H GLU A 62 5.391 22.263 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 62 7.528 20.273 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.763 21.871 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.186 21.005 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.332 19.422 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.671 19.897 -6.892 1.00 0.00 H new ATOM 932 N GLU A 63 9.029 22.160 -5.932 1.00 0.00 N ATOM 933 CA GLU A 63 10.110 23.117 -6.094 1.00 0.00 C ATOM 934 C GLU A 63 9.575 24.431 -6.667 1.00 0.00 C ATOM 935 O GLU A 63 10.221 25.471 -6.552 1.00 0.00 O ATOM 936 CB GLU A 63 11.221 22.546 -6.977 1.00 0.00 C ATOM 937 CG GLU A 63 12.311 21.886 -6.130 1.00 0.00 C ATOM 938 CD GLU A 63 13.683 22.492 -6.432 1.00 0.00 C ATOM 939 OE1 GLU A 63 14.226 22.160 -7.508 1.00 0.00 O ATOM 940 OE2 GLU A 63 14.158 23.274 -5.581 1.00 0.00 O ATOM 0 H GLU A 63 9.030 21.398 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 63 10.539 23.319 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.801 21.816 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.657 23.343 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.080 22.010 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.331 20.814 -6.328 1.00 0.00 H new ATOM 947 N ASN A 64 8.400 24.340 -7.272 1.00 0.00 N ATOM 948 CA ASN A 64 7.771 25.508 -7.864 1.00 0.00 C ATOM 949 C ASN A 64 6.250 25.339 -7.824 1.00 0.00 C ATOM 950 O ASN A 64 5.575 25.520 -8.836 1.00 0.00 O ATOM 951 CB ASN A 64 8.189 25.678 -9.326 1.00 0.00 C ATOM 952 CG ASN A 64 7.642 24.539 -10.189 1.00 0.00 C ATOM 953 OD1 ASN A 64 7.421 23.430 -9.731 1.00 0.00 O ATOM 954 ND2 ASN A 64 7.437 24.874 -11.459 1.00 0.00 N ATOM 0 H ASN A 64 7.867 23.475 -7.365 1.00 0.00 H new ATOM 0 HA ASN A 64 8.084 26.384 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.824 26.633 -9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.276 25.702 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.073 24.184 -12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.643 25.821 -11.776 1.00 0.00 H new ATOM 961 N GLY A 65 5.757 24.993 -6.644 1.00 0.00 N ATOM 962 CA GLY A 65 4.329 24.797 -6.458 1.00 0.00 C ATOM 963 C GLY A 65 4.055 23.656 -5.476 1.00 0.00 C ATOM 964 O GLY A 65 4.690 23.570 -4.426 1.00 0.00 O ATOM 0 H GLY A 65 6.321 24.843 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.877 25.717 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.861 24.576 -7.417 1.00 0.00 H new ATOM 968 N GLU A 66 3.109 22.808 -5.853 1.00 0.00 N ATOM 969 CA GLU A 66 2.744 21.676 -5.018 1.00 0.00 C ATOM 970 C GLU A 66 2.009 20.621 -5.847 1.00 0.00 C ATOM 971 O GLU A 66 1.650 20.869 -6.997 1.00 0.00 O ATOM 972 CB GLU A 66 1.896 22.125 -3.826 1.00 0.00 C ATOM 973 CG GLU A 66 0.425 22.270 -4.223 1.00 0.00 C ATOM 974 CD GLU A 66 0.287 23.006 -5.557 1.00 0.00 C ATOM 975 OE1 GLU A 66 0.932 24.069 -5.688 1.00 0.00 O ATOM 976 OE2 GLU A 66 -0.460 22.490 -6.415 1.00 0.00 O ATOM 0 H GLU A 66 2.585 22.882 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 66 3.657 21.230 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.988 21.401 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.270 23.076 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.034 21.284 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.113 22.814 -3.446 1.00 0.00 H new ATOM 983 N ARG A 67 1.806 19.466 -5.231 1.00 0.00 N ATOM 984 CA ARG A 67 1.121 18.372 -5.898 1.00 0.00 C ATOM 985 C ARG A 67 0.262 17.595 -4.897 1.00 0.00 C ATOM 986 O ARG A 67 0.667 17.390 -3.754 1.00 0.00 O ATOM 987 CB ARG A 67 2.118 17.415 -6.554 1.00 0.00 C ATOM 988 CG ARG A 67 1.395 16.366 -7.401 1.00 0.00 C ATOM 989 CD ARG A 67 2.297 15.854 -8.527 1.00 0.00 C ATOM 990 NE ARG A 67 1.594 15.959 -9.825 1.00 0.00 N ATOM 991 CZ ARG A 67 2.194 15.825 -11.016 1.00 0.00 C ATOM 992 NH1 ARG A 67 3.510 15.580 -11.080 1.00 0.00 N ATOM 993 NH2 ARG A 67 1.477 15.937 -12.143 1.00 0.00 N ATOM 0 H ARG A 67 2.104 19.264 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 67 0.485 18.802 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.811 17.978 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.712 16.921 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.087 15.533 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.488 16.797 -7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.220 16.433 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.576 14.817 -8.338 1.00 0.00 H new ATOM 0 HE ARG A 67 0.591 16.145 -9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.055 15.495 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.966 15.478 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.476 16.124 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.933 15.835 -13.050 1.00 0.00 H new ATOM 1007 N VAL A 68 -0.907 17.183 -5.364 1.00 0.00 N ATOM 1008 CA VAL A 68 -1.826 16.433 -4.525 1.00 0.00 C ATOM 1009 C VAL A 68 -1.563 14.936 -4.698 1.00 0.00 C ATOM 1010 O VAL A 68 -2.023 14.329 -5.664 1.00 0.00 O ATOM 1011 CB VAL A 68 -3.269 16.827 -4.846 1.00 0.00 C ATOM 1012 CG1 VAL A 68 -4.251 16.137 -3.897 1.00 0.00 C ATOM 1013 CG2 VAL A 68 -3.445 18.347 -4.806 1.00 0.00 C ATOM 0 H VAL A 68 -1.239 17.354 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.664 16.672 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.490 16.490 -5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.269 16.435 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.154 15.056 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.030 16.428 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.480 18.600 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.195 18.716 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.785 18.809 -5.540 1.00 0.00 H new ATOM 1023 N LEU A 69 -0.822 14.384 -3.748 1.00 0.00 N ATOM 1024 CA LEU A 69 -0.492 12.970 -3.784 1.00 0.00 C ATOM 1025 C LEU A 69 -1.776 12.147 -3.658 1.00 0.00 C ATOM 1026 O LEU A 69 -2.030 11.259 -4.470 1.00 0.00 O ATOM 1027 CB LEU A 69 0.558 12.638 -2.721 1.00 0.00 C ATOM 1028 CG LEU A 69 1.768 13.572 -2.659 1.00 0.00 C ATOM 1029 CD1 LEU A 69 2.679 13.211 -1.484 1.00 0.00 C ATOM 1030 CD2 LEU A 69 2.524 13.578 -3.990 1.00 0.00 C ATOM 0 H LEU A 69 -0.441 14.891 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.038 12.709 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.072 12.640 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.916 11.623 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 69 1.409 14.587 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.531 13.890 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.122 13.299 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.034 12.187 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.380 14.250 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.872 12.570 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.860 13.919 -4.784 1.00 0.00 H new ATOM 1042 N MET A 70 -2.551 12.472 -2.633 1.00 0.00 N ATOM 1043 CA MET A 70 -3.802 11.774 -2.390 1.00 0.00 C ATOM 1044 C MET A 70 -4.906 12.753 -1.987 1.00 0.00 C ATOM 1045 O MET A 70 -4.654 13.715 -1.263 1.00 0.00 O ATOM 1046 CB MET A 70 -3.603 10.742 -1.279 1.00 0.00 C ATOM 1047 CG MET A 70 -4.946 10.184 -0.803 1.00 0.00 C ATOM 1048 SD MET A 70 -4.684 8.979 0.488 1.00 0.00 S ATOM 1049 CE MET A 70 -6.364 8.441 0.756 1.00 0.00 C ATOM 0 H MET A 70 -2.337 13.209 -1.962 1.00 0.00 H new ATOM 0 HA MET A 70 -4.104 11.275 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.975 9.928 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.078 11.201 -0.441 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.575 10.994 -0.434 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.475 9.725 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.389 7.355 0.841 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.746 8.886 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.984 8.753 -0.084 1.00 0.00 H new ATOM 1059 N GLU A 71 -6.107 12.474 -2.473 1.00 0.00 N ATOM 1060 CA GLU A 71 -7.251 13.318 -2.172 1.00 0.00 C ATOM 1061 C GLU A 71 -8.538 12.670 -2.685 1.00 0.00 C ATOM 1062 O GLU A 71 -8.506 11.874 -3.622 1.00 0.00 O ATOM 1063 CB GLU A 71 -7.069 14.719 -2.761 1.00 0.00 C ATOM 1064 CG GLU A 71 -8.252 15.621 -2.404 1.00 0.00 C ATOM 1065 CD GLU A 71 -9.429 15.382 -3.351 1.00 0.00 C ATOM 1066 OE1 GLU A 71 -9.163 15.254 -4.566 1.00 0.00 O ATOM 1067 OE2 GLU A 71 -10.569 15.333 -2.840 1.00 0.00 O ATOM 0 H GLU A 71 -6.313 11.675 -3.073 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.327 13.422 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.145 15.159 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.972 14.652 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.563 15.430 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.946 16.666 -2.455 1.00 0.00 H new ATOM 1074 N GLY A 72 -9.641 13.036 -2.048 1.00 0.00 N ATOM 1075 CA GLY A 72 -10.937 12.500 -2.429 1.00 0.00 C ATOM 1076 C GLY A 72 -11.815 12.261 -1.198 1.00 0.00 C ATOM 1077 O GLY A 72 -11.305 12.078 -0.094 1.00 0.00 O ATOM 0 H GLY A 72 -9.664 13.697 -1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.436 13.192 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.802 11.564 -2.971 1.00 0.00 H new ATOM 1081 N LYS A 73 -13.119 12.272 -1.430 1.00 0.00 N ATOM 1082 CA LYS A 73 -14.072 12.059 -0.355 1.00 0.00 C ATOM 1083 C LYS A 73 -14.021 10.594 0.084 1.00 0.00 C ATOM 1084 O LYS A 73 -14.026 9.692 -0.751 1.00 0.00 O ATOM 1085 CB LYS A 73 -15.467 12.527 -0.774 1.00 0.00 C ATOM 1086 CG LYS A 73 -15.492 14.039 -1.006 1.00 0.00 C ATOM 1087 CD LYS A 73 -16.168 14.379 -2.335 1.00 0.00 C ATOM 1088 CE LYS A 73 -17.689 14.245 -2.227 1.00 0.00 C ATOM 1089 NZ LYS A 73 -18.295 15.534 -1.826 1.00 0.00 N ATOM 0 H LYS A 73 -13.538 12.425 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.807 12.662 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.769 12.011 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.190 12.262 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.023 14.527 -0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.474 14.428 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.909 15.396 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.796 13.717 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.101 13.925 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.941 13.475 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.327 15.426 -1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.915 15.824 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.069 16.259 -2.536 1.00 0.00 H new ATOM 1103 N LEU A 74 -13.972 10.404 1.395 1.00 0.00 N ATOM 1104 CA LEU A 74 -13.919 9.064 1.955 1.00 0.00 C ATOM 1105 C LEU A 74 -15.269 8.375 1.744 1.00 0.00 C ATOM 1106 O LEU A 74 -16.265 9.031 1.443 1.00 0.00 O ATOM 1107 CB LEU A 74 -13.476 9.112 3.418 1.00 0.00 C ATOM 1108 CG LEU A 74 -12.095 9.717 3.681 1.00 0.00 C ATOM 1109 CD1 LEU A 74 -12.038 10.374 5.062 1.00 0.00 C ATOM 1110 CD2 LEU A 74 -10.994 8.671 3.499 1.00 0.00 C ATOM 0 H LEU A 74 -13.968 11.155 2.085 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.169 8.464 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -14.214 9.682 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.487 8.097 3.814 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.920 10.500 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.046 10.796 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.783 11.167 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.244 9.627 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.023 9.127 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.154 7.849 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.019 8.290 2.478 1.00 0.00 H new ATOM 1122 N THR A 75 -15.258 7.060 1.910 1.00 0.00 N ATOM 1123 CA THR A 75 -16.468 6.275 1.741 1.00 0.00 C ATOM 1124 C THR A 75 -17.297 6.288 3.027 1.00 0.00 C ATOM 1125 O THR A 75 -18.495 6.010 3.002 1.00 0.00 O ATOM 1126 CB THR A 75 -16.062 4.869 1.295 1.00 0.00 C ATOM 1127 OG1 THR A 75 -15.627 4.236 2.496 1.00 0.00 O ATOM 1128 CG2 THR A 75 -14.817 4.874 0.406 1.00 0.00 C ATOM 0 H THR A 75 -14.430 6.519 2.160 1.00 0.00 H new ATOM 0 HA THR A 75 -17.111 6.703 0.972 1.00 0.00 H new ATOM 0 HB THR A 75 -16.890 4.405 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.745 3.833 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.572 3.852 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.011 5.467 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.980 5.307 0.954 1.00 0.00 H new ATOM 1136 N HIS A 76 -16.625 6.615 4.122 1.00 0.00 N ATOM 1137 CA HIS A 76 -17.284 6.668 5.416 1.00 0.00 C ATOM 1138 C HIS A 76 -16.703 7.818 6.241 1.00 0.00 C ATOM 1139 O HIS A 76 -15.805 8.523 5.783 1.00 0.00 O ATOM 1140 CB HIS A 76 -17.189 5.319 6.130 1.00 0.00 C ATOM 1141 CG HIS A 76 -18.240 4.322 5.703 1.00 0.00 C ATOM 1142 ND1 HIS A 76 -17.961 2.983 5.489 1.00 0.00 N ATOM 1143 CD2 HIS A 76 -19.571 4.482 5.454 1.00 0.00 C ATOM 1144 CE1 HIS A 76 -19.081 2.376 5.126 1.00 0.00 C ATOM 1145 NE2 HIS A 76 -20.078 3.306 5.104 1.00 0.00 N ATOM 0 H HIS A 76 -15.632 6.846 4.139 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.347 6.866 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -16.203 4.892 5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.273 5.482 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.120 5.409 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -19.186 1.328 4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.052 3.128 4.859 1.00 0.00 H new ATOM 1153 N LYS A 77 -17.238 7.972 7.443 1.00 0.00 N ATOM 1154 CA LYS A 77 -16.784 9.024 8.336 1.00 0.00 C ATOM 1155 C LYS A 77 -15.741 8.454 9.300 1.00 0.00 C ATOM 1156 O LYS A 77 -15.513 7.245 9.329 1.00 0.00 O ATOM 1157 CB LYS A 77 -17.973 9.683 9.037 1.00 0.00 C ATOM 1158 CG LYS A 77 -18.765 10.559 8.064 1.00 0.00 C ATOM 1159 CD LYS A 77 -19.774 11.434 8.812 1.00 0.00 C ATOM 1160 CE LYS A 77 -20.630 12.242 7.834 1.00 0.00 C ATOM 1161 NZ LYS A 77 -20.980 13.557 8.416 1.00 0.00 N ATOM 0 H LYS A 77 -17.982 7.385 7.820 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.297 9.819 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.625 8.916 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.618 10.288 9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.080 11.190 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.288 9.929 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.416 10.807 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.246 12.111 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.088 12.384 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.539 11.690 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.561 14.092 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.515 13.416 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -20.110 14.088 8.622 1.00 0.00 H new ATOM 1175 N ILE A 78 -15.135 9.350 10.064 1.00 0.00 N ATOM 1176 CA ILE A 78 -14.122 8.952 11.026 1.00 0.00 C ATOM 1177 C ILE A 78 -14.153 9.910 12.219 1.00 0.00 C ATOM 1178 O ILE A 78 -15.054 10.740 12.330 1.00 0.00 O ATOM 1179 CB ILE A 78 -12.753 8.853 10.352 1.00 0.00 C ATOM 1180 CG1 ILE A 78 -12.407 10.151 9.620 1.00 0.00 C ATOM 1181 CG2 ILE A 78 -12.684 7.636 9.427 1.00 0.00 C ATOM 1182 CD1 ILE A 78 -11.371 10.962 10.401 1.00 0.00 C ATOM 0 H ILE A 78 -15.326 10.352 10.036 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.334 7.955 11.412 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.000 8.711 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.021 9.921 8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.310 10.746 9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.700 7.589 8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.855 6.729 10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.448 7.722 8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.143 11.880 9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.770 11.211 11.384 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.461 10.374 10.517 1.00 0.00 H new ATOM 1194 N ASN A 79 -13.157 9.763 13.081 1.00 0.00 N ATOM 1195 CA ASN A 79 -13.059 10.605 14.261 1.00 0.00 C ATOM 1196 C ASN A 79 -11.772 11.429 14.188 1.00 0.00 C ATOM 1197 O ASN A 79 -10.793 11.120 14.867 1.00 0.00 O ATOM 1198 CB ASN A 79 -13.009 9.762 15.536 1.00 0.00 C ATOM 1199 CG ASN A 79 -13.612 10.521 16.720 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -13.695 11.738 16.732 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -14.027 9.737 17.711 1.00 0.00 N ATOM 0 H ASN A 79 -12.411 9.074 12.986 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.937 11.250 14.289 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.553 8.830 15.382 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.976 9.495 15.759 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.445 10.148 18.546 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.928 8.725 17.636 1.00 0.00 H new ATOM 1208 N THR A 80 -11.814 12.462 13.359 1.00 0.00 N ATOM 1209 CA THR A 80 -10.663 13.333 13.189 1.00 0.00 C ATOM 1210 C THR A 80 -9.953 13.545 14.527 1.00 0.00 C ATOM 1211 O THR A 80 -8.729 13.451 14.606 1.00 0.00 O ATOM 1212 CB THR A 80 -11.146 14.633 12.544 1.00 0.00 C ATOM 1213 OG1 THR A 80 -12.158 15.105 13.429 1.00 0.00 O ATOM 1214 CG2 THR A 80 -11.886 14.394 11.226 1.00 0.00 C ATOM 0 H THR A 80 -12.627 12.715 12.798 1.00 0.00 H new ATOM 0 HA THR A 80 -9.920 12.883 12.531 1.00 0.00 H new ATOM 0 HB THR A 80 -10.293 15.289 12.368 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.525 15.947 13.087 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.207 15.349 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.221 13.897 10.520 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.758 13.766 11.407 1.00 0.00 H new ATOM 1222 N GLU A 81 -10.751 13.828 15.546 1.00 0.00 N ATOM 1223 CA GLU A 81 -10.214 14.055 16.877 1.00 0.00 C ATOM 1224 C GLU A 81 -9.333 12.878 17.302 1.00 0.00 C ATOM 1225 O GLU A 81 -8.193 13.071 17.719 1.00 0.00 O ATOM 1226 CB GLU A 81 -11.338 14.291 17.889 1.00 0.00 C ATOM 1227 CG GLU A 81 -12.036 15.628 17.629 1.00 0.00 C ATOM 1228 CD GLU A 81 -12.926 16.019 18.811 1.00 0.00 C ATOM 1229 OE1 GLU A 81 -12.456 15.849 19.956 1.00 0.00 O ATOM 1230 OE2 GLU A 81 -14.056 16.480 18.542 1.00 0.00 O ATOM 0 H GLU A 81 -11.766 13.905 15.477 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.598 14.954 16.850 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.063 13.480 17.828 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.931 14.279 18.900 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.291 16.405 17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.638 15.558 16.723 1.00 0.00 H new ATOM 1237 N SER A 82 -9.896 11.685 17.180 1.00 0.00 N ATOM 1238 CA SER A 82 -9.175 10.477 17.546 1.00 0.00 C ATOM 1239 C SER A 82 -8.114 10.161 16.490 1.00 0.00 C ATOM 1240 O SER A 82 -7.097 9.538 16.794 1.00 0.00 O ATOM 1241 CB SER A 82 -10.131 9.293 17.708 1.00 0.00 C ATOM 1242 OG SER A 82 -11.427 9.708 18.134 1.00 0.00 O ATOM 0 H SER A 82 -10.842 11.529 16.833 1.00 0.00 H new ATOM 0 HA SER A 82 -8.685 10.648 18.505 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.214 8.761 16.760 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.719 8.591 18.432 1.00 0.00 H new ATOM 0 HG SER A 82 -11.774 9.071 18.793 1.00 0.00 H new ATOM 1248 N SER A 83 -8.386 10.605 15.272 1.00 0.00 N ATOM 1249 CA SER A 83 -7.467 10.377 14.170 1.00 0.00 C ATOM 1250 C SER A 83 -6.264 11.315 14.289 1.00 0.00 C ATOM 1251 O SER A 83 -6.310 12.298 15.027 1.00 0.00 O ATOM 1252 CB SER A 83 -8.163 10.576 12.822 1.00 0.00 C ATOM 1253 OG SER A 83 -9.386 9.849 12.741 1.00 0.00 O ATOM 0 H SER A 83 -9.230 11.122 15.024 1.00 0.00 H new ATOM 0 HA SER A 83 -7.121 9.344 14.221 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.361 11.637 12.669 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.498 10.257 12.020 1.00 0.00 H new ATOM 0 HG SER A 83 -9.696 9.629 13.644 1.00 0.00 H new ATOM 1259 N LEU A 84 -5.216 10.978 13.552 1.00 0.00 N ATOM 1260 CA LEU A 84 -4.003 11.778 13.566 1.00 0.00 C ATOM 1261 C LEU A 84 -3.244 11.570 12.254 1.00 0.00 C ATOM 1262 O LEU A 84 -3.682 10.806 11.395 1.00 0.00 O ATOM 1263 CB LEU A 84 -3.171 11.468 14.813 1.00 0.00 C ATOM 1264 CG LEU A 84 -2.165 10.323 14.680 1.00 0.00 C ATOM 1265 CD1 LEU A 84 -0.752 10.859 14.446 1.00 0.00 C ATOM 1266 CD2 LEU A 84 -2.231 9.392 15.893 1.00 0.00 C ATOM 0 H LEU A 84 -5.182 10.162 12.941 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.247 12.838 13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.629 12.370 15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.852 11.234 15.631 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.434 9.732 13.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.057 10.024 14.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.734 11.448 13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.457 11.487 15.287 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.506 8.587 15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.001 9.956 16.797 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.233 8.970 15.973 1.00 0.00 H new ATOM 1278 N TRP A 85 -2.121 12.263 12.140 1.00 0.00 N ATOM 1279 CA TRP A 85 -1.298 12.163 10.947 1.00 0.00 C ATOM 1280 C TRP A 85 0.083 12.735 11.276 1.00 0.00 C ATOM 1281 O TRP A 85 0.197 13.877 11.718 1.00 0.00 O ATOM 1282 CB TRP A 85 -1.966 12.861 9.761 1.00 0.00 C ATOM 1283 CG TRP A 85 -1.595 14.338 9.618 1.00 0.00 C ATOM 1284 CD1 TRP A 85 -2.184 15.396 10.193 1.00 0.00 C ATOM 1285 CD2 TRP A 85 -0.522 14.882 8.821 1.00 0.00 C ATOM 1286 NE1 TRP A 85 -1.570 16.577 9.827 1.00 0.00 N ATOM 1287 CE2 TRP A 85 -0.528 16.254 8.966 1.00 0.00 C ATOM 1288 CE3 TRP A 85 0.423 14.236 8.005 1.00 0.00 C ATOM 1289 CZ2 TRP A 85 0.388 17.097 8.325 1.00 0.00 C ATOM 1290 CZ3 TRP A 85 1.332 15.092 7.371 1.00 0.00 C ATOM 1291 CH2 TRP A 85 1.339 16.475 7.507 1.00 0.00 C ATOM 0 H TRP A 85 -1.762 12.896 12.854 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.181 11.122 10.645 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.693 12.338 8.844 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -3.048 12.777 9.866 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -3.032 15.332 10.859 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.833 17.514 10.132 1.00 0.00 H new ATOM 0 HE3 TRP A 85 0.446 13.164 7.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.362 18.169 8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.080 14.646 6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.075 17.068 6.984 1.00 0.00 H new ATOM 1302 N SER A 86 1.097 11.914 11.049 1.00 0.00 N ATOM 1303 CA SER A 86 2.466 12.323 11.316 1.00 0.00 C ATOM 1304 C SER A 86 3.262 12.369 10.011 1.00 0.00 C ATOM 1305 O SER A 86 3.150 11.470 9.179 1.00 0.00 O ATOM 1306 CB SER A 86 3.138 11.380 12.315 1.00 0.00 C ATOM 1307 OG SER A 86 3.833 10.320 11.664 1.00 0.00 O ATOM 0 H SER A 86 0.999 10.967 10.683 1.00 0.00 H new ATOM 0 HA SER A 86 2.445 13.320 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.835 11.945 12.934 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.385 10.963 12.983 1.00 0.00 H new ATOM 0 HG SER A 86 4.250 9.741 12.336 1.00 0.00 H new ATOM 1313 N LEU A 87 4.050 13.425 9.872 1.00 0.00 N ATOM 1314 CA LEU A 87 4.865 13.600 8.682 1.00 0.00 C ATOM 1315 C LEU A 87 6.298 13.154 8.980 1.00 0.00 C ATOM 1316 O LEU A 87 6.823 13.423 10.059 1.00 0.00 O ATOM 1317 CB LEU A 87 4.763 15.038 8.168 1.00 0.00 C ATOM 1318 CG LEU A 87 5.768 15.436 7.086 1.00 0.00 C ATOM 1319 CD1 LEU A 87 7.127 15.778 7.700 1.00 0.00 C ATOM 1320 CD2 LEU A 87 5.880 14.351 6.014 1.00 0.00 C ATOM 0 H LEU A 87 4.141 14.168 10.564 1.00 0.00 H new ATOM 0 HA LEU A 87 4.496 12.970 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.758 15.192 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.883 15.715 9.014 1.00 0.00 H new ATOM 0 HG LEU A 87 5.401 16.337 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.823 16.058 6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.013 16.610 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.514 14.910 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.601 14.660 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.212 13.419 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.907 14.199 5.547 1.00 0.00 H new ATOM 1332 N GLU A 88 6.889 12.480 8.005 1.00 0.00 N ATOM 1333 CA GLU A 88 8.251 11.994 8.149 1.00 0.00 C ATOM 1334 C GLU A 88 9.151 12.609 7.076 1.00 0.00 C ATOM 1335 O GLU A 88 8.790 12.639 5.900 1.00 0.00 O ATOM 1336 CB GLU A 88 8.297 10.466 8.094 1.00 0.00 C ATOM 1337 CG GLU A 88 8.008 9.858 9.468 1.00 0.00 C ATOM 1338 CD GLU A 88 9.266 9.221 10.061 1.00 0.00 C ATOM 1339 OE1 GLU A 88 10.314 9.902 10.032 1.00 0.00 O ATOM 1340 OE2 GLU A 88 9.151 8.069 10.530 1.00 0.00 O ATOM 0 H GLU A 88 6.450 12.259 7.111 1.00 0.00 H new ATOM 0 HA GLU A 88 8.623 12.301 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.567 10.103 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.278 10.141 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.636 10.631 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.223 9.107 9.380 1.00 0.00 H new ATOM 1347 N PRO A 89 10.336 13.098 7.530 1.00 0.00 N ATOM 1348 CA PRO A 89 11.290 13.711 6.622 1.00 0.00 C ATOM 1349 C PRO A 89 12.009 12.650 5.784 1.00 0.00 C ATOM 1350 O PRO A 89 12.587 11.711 6.329 1.00 0.00 O ATOM 1351 CB PRO A 89 12.232 14.501 7.515 1.00 0.00 C ATOM 1352 CG PRO A 89 12.056 13.931 8.913 1.00 0.00 C ATOM 1353 CD PRO A 89 10.797 13.080 8.915 1.00 0.00 C ATOM 0 HA PRO A 89 10.814 14.365 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 89 13.264 14.401 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 89 11.991 15.564 7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.922 13.331 9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 89 11.975 14.734 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.006 12.064 9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.044 13.489 9.589 1.00 0.00 H new ATOM 1361 N GLY A 90 11.949 12.836 4.474 1.00 0.00 N ATOM 1362 CA GLY A 90 12.586 11.908 3.556 1.00 0.00 C ATOM 1363 C GLY A 90 12.093 10.479 3.791 1.00 0.00 C ATOM 1364 O GLY A 90 12.894 9.568 3.997 1.00 0.00 O ATOM 0 H GLY A 90 11.469 13.616 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.375 12.205 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.668 11.949 3.684 1.00 0.00 H new ATOM 1368 N LYS A 91 10.777 10.327 3.753 1.00 0.00 N ATOM 1369 CA LYS A 91 10.168 9.024 3.959 1.00 0.00 C ATOM 1370 C LYS A 91 8.774 9.013 3.328 1.00 0.00 C ATOM 1371 O LYS A 91 8.636 8.806 2.123 1.00 0.00 O ATOM 1372 CB LYS A 91 10.173 8.660 5.445 1.00 0.00 C ATOM 1373 CG LYS A 91 11.402 7.819 5.798 1.00 0.00 C ATOM 1374 CD LYS A 91 11.011 6.606 6.645 1.00 0.00 C ATOM 1375 CE LYS A 91 10.565 5.440 5.760 1.00 0.00 C ATOM 1376 NZ LYS A 91 11.641 4.430 5.653 1.00 0.00 N ATOM 0 H LYS A 91 10.116 11.085 3.583 1.00 0.00 H new ATOM 0 HA LYS A 91 10.750 8.248 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.165 9.569 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.266 8.107 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.894 7.486 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.122 8.431 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.858 6.298 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.205 6.879 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.668 4.982 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.303 5.808 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.322 3.646 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.487 4.867 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.871 4.066 6.600 1.00 0.00 H new ATOM 1390 N CYS A 92 7.776 9.237 4.170 1.00 0.00 N ATOM 1391 CA CYS A 92 6.398 9.255 3.710 1.00 0.00 C ATOM 1392 C CYS A 92 5.547 9.961 4.768 1.00 0.00 C ATOM 1393 O CYS A 92 6.056 10.355 5.817 1.00 0.00 O ATOM 1394 CB CYS A 92 5.883 7.845 3.411 1.00 0.00 C ATOM 1395 SG CYS A 92 6.671 6.639 4.540 1.00 0.00 S ATOM 0 H CYS A 92 7.894 9.408 5.169 1.00 0.00 H new ATOM 0 HA CYS A 92 6.333 9.802 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.800 7.812 3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.099 7.582 2.376 1.00 0.00 H new ATOM 0 HG CYS A 92 6.226 5.446 4.280 1.00 0.00 H new ATOM 1401 N VAL A 93 4.267 10.098 4.457 1.00 0.00 N ATOM 1402 CA VAL A 93 3.341 10.750 5.367 1.00 0.00 C ATOM 1403 C VAL A 93 2.477 9.690 6.053 1.00 0.00 C ATOM 1404 O VAL A 93 1.958 8.788 5.398 1.00 0.00 O ATOM 1405 CB VAL A 93 2.518 11.797 4.616 1.00 0.00 C ATOM 1406 CG1 VAL A 93 1.368 12.317 5.482 1.00 0.00 C ATOM 1407 CG2 VAL A 93 3.403 12.948 4.133 1.00 0.00 C ATOM 0 H VAL A 93 3.849 9.768 3.587 1.00 0.00 H new ATOM 0 HA VAL A 93 3.884 11.283 6.148 1.00 0.00 H new ATOM 0 HB VAL A 93 2.086 11.315 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.799 13.060 4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.714 11.489 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.771 12.773 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.792 13.678 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.878 13.426 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.170 12.561 3.463 1.00 0.00 H new ATOM 1417 N LEU A 94 2.349 9.834 7.364 1.00 0.00 N ATOM 1418 CA LEU A 94 1.557 8.901 8.146 1.00 0.00 C ATOM 1419 C LEU A 94 0.212 9.544 8.491 1.00 0.00 C ATOM 1420 O LEU A 94 0.166 10.671 8.981 1.00 0.00 O ATOM 1421 CB LEU A 94 2.343 8.425 9.370 1.00 0.00 C ATOM 1422 CG LEU A 94 1.814 7.165 10.059 1.00 0.00 C ATOM 1423 CD1 LEU A 94 0.404 7.391 10.608 1.00 0.00 C ATOM 1424 CD2 LEU A 94 1.876 5.959 9.119 1.00 0.00 C ATOM 0 H LEU A 94 2.781 10.584 7.904 1.00 0.00 H new ATOM 0 HA LEU A 94 1.342 8.004 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.374 8.243 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.363 9.233 10.101 1.00 0.00 H new ATOM 0 HG LEU A 94 2.459 6.945 10.909 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.052 6.480 11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.422 8.204 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.268 7.650 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.494 5.077 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.269 6.155 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.909 5.785 8.818 1.00 0.00 H new ATOM 1436 N VAL A 95 -0.850 8.799 8.222 1.00 0.00 N ATOM 1437 CA VAL A 95 -2.192 9.282 8.498 1.00 0.00 C ATOM 1438 C VAL A 95 -3.008 8.165 9.151 1.00 0.00 C ATOM 1439 O VAL A 95 -3.385 7.198 8.490 1.00 0.00 O ATOM 1440 CB VAL A 95 -2.830 9.816 7.214 1.00 0.00 C ATOM 1441 CG1 VAL A 95 -4.302 10.170 7.439 1.00 0.00 C ATOM 1442 CG2 VAL A 95 -2.054 11.018 6.674 1.00 0.00 C ATOM 0 H VAL A 95 -0.808 7.864 7.816 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.161 10.115 9.201 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.786 9.025 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.732 10.547 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.846 9.280 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.378 10.935 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.529 11.377 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.051 11.814 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.028 10.721 6.456 1.00 0.00 H new ATOM 1452 N ASN A 96 -3.257 8.334 10.442 1.00 0.00 N ATOM 1453 CA ASN A 96 -4.021 7.352 11.192 1.00 0.00 C ATOM 1454 C ASN A 96 -5.497 7.754 11.193 1.00 0.00 C ATOM 1455 O ASN A 96 -5.833 8.897 11.498 1.00 0.00 O ATOM 1456 CB ASN A 96 -3.549 7.280 12.645 1.00 0.00 C ATOM 1457 CG ASN A 96 -2.110 6.768 12.730 1.00 0.00 C ATOM 1458 OD1 ASN A 96 -1.220 7.423 13.245 1.00 0.00 O ATOM 1459 ND2 ASN A 96 -1.933 5.562 12.197 1.00 0.00 N ATOM 0 H ASN A 96 -2.943 9.137 10.987 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.879 6.380 10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.615 8.268 13.102 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.207 6.622 13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.008 5.132 12.204 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.722 5.067 11.781 1.00 0.00 H new ATOM 1466 N LEU A 97 -6.340 6.791 10.849 1.00 0.00 N ATOM 1467 CA LEU A 97 -7.773 7.030 10.807 1.00 0.00 C ATOM 1468 C LEU A 97 -8.457 6.193 11.889 1.00 0.00 C ATOM 1469 O LEU A 97 -8.220 4.990 11.992 1.00 0.00 O ATOM 1470 CB LEU A 97 -8.317 6.777 9.399 1.00 0.00 C ATOM 1471 CG LEU A 97 -7.899 7.787 8.328 1.00 0.00 C ATOM 1472 CD1 LEU A 97 -8.826 7.713 7.113 1.00 0.00 C ATOM 1473 CD2 LEU A 97 -7.824 9.201 8.907 1.00 0.00 C ATOM 0 H LEU A 97 -6.058 5.844 10.597 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.991 8.075 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.997 5.785 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.406 6.760 9.449 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.898 7.526 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.507 8.441 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.784 6.712 6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.848 7.934 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.525 9.899 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.802 9.488 9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.092 9.225 9.714 1.00 0.00 H new ATOM 1485 N SER A 98 -9.293 6.862 12.670 1.00 0.00 N ATOM 1486 CA SER A 98 -10.013 6.195 13.741 1.00 0.00 C ATOM 1487 C SER A 98 -11.489 6.046 13.366 1.00 0.00 C ATOM 1488 O SER A 98 -12.226 7.030 13.328 1.00 0.00 O ATOM 1489 CB SER A 98 -9.875 6.962 15.058 1.00 0.00 C ATOM 1490 OG SER A 98 -9.301 6.158 16.086 1.00 0.00 O ATOM 0 H SER A 98 -9.488 7.859 12.582 1.00 0.00 H new ATOM 0 HA SER A 98 -9.579 5.205 13.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.256 7.845 14.900 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.856 7.313 15.378 1.00 0.00 H new ATOM 0 HG SER A 98 -9.228 6.684 16.910 1.00 0.00 H new ATOM 1496 N LYS A 99 -11.876 4.807 13.097 1.00 0.00 N ATOM 1497 CA LYS A 99 -13.250 4.517 12.726 1.00 0.00 C ATOM 1498 C LYS A 99 -14.187 5.002 13.834 1.00 0.00 C ATOM 1499 O LYS A 99 -13.794 5.068 14.998 1.00 0.00 O ATOM 1500 CB LYS A 99 -13.412 3.033 12.389 1.00 0.00 C ATOM 1501 CG LYS A 99 -12.435 2.610 11.290 1.00 0.00 C ATOM 1502 CD LYS A 99 -12.740 1.193 10.801 1.00 0.00 C ATOM 1503 CE LYS A 99 -11.547 0.606 10.044 1.00 0.00 C ATOM 1504 NZ LYS A 99 -11.864 -0.753 9.551 1.00 0.00 N ATOM 0 H LYS A 99 -11.262 3.993 13.129 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.522 5.058 11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.241 2.433 13.283 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.435 2.839 12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.497 3.308 10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.414 2.656 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.985 0.556 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.615 1.209 10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.287 1.252 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.676 0.568 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.044 -1.137 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.090 -1.371 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.682 -0.708 8.910 1.00 0.00 H new ATOM 1518 N VAL A 100 -15.407 5.328 13.433 1.00 0.00 N ATOM 1519 CA VAL A 100 -16.402 5.804 14.378 1.00 0.00 C ATOM 1520 C VAL A 100 -17.385 4.674 14.691 1.00 0.00 C ATOM 1521 O VAL A 100 -18.596 4.888 14.714 1.00 0.00 O ATOM 1522 CB VAL A 100 -17.087 7.057 13.829 1.00 0.00 C ATOM 1523 CG1 VAL A 100 -16.073 8.179 13.597 1.00 0.00 C ATOM 1524 CG2 VAL A 100 -17.860 6.742 12.547 1.00 0.00 C ATOM 0 H VAL A 100 -15.729 5.272 12.467 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.929 6.092 15.317 1.00 0.00 H new ATOM 0 HB VAL A 100 -17.803 7.402 14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -16.586 9.058 13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.587 8.431 14.540 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.322 7.848 12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -18.337 7.650 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -17.173 6.361 11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -18.622 5.991 12.757 1.00 0.00 H new ATOM 1534 N GLY A 101 -16.827 3.495 14.923 1.00 0.00 N ATOM 1535 CA GLY A 101 -17.639 2.331 15.233 1.00 0.00 C ATOM 1536 C GLY A 101 -17.200 1.120 14.407 1.00 0.00 C ATOM 1537 O GLY A 101 -16.221 1.192 13.666 1.00 0.00 O ATOM 0 H GLY A 101 -15.822 3.321 14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.559 2.100 16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.688 2.551 15.033 1.00 0.00 H new ATOM 1541 N GLU A 102 -17.946 0.036 14.562 1.00 0.00 N ATOM 1542 CA GLU A 102 -17.646 -1.188 13.839 1.00 0.00 C ATOM 1543 C GLU A 102 -18.077 -1.060 12.377 1.00 0.00 C ATOM 1544 O GLU A 102 -19.231 -1.320 12.041 1.00 0.00 O ATOM 1545 CB GLU A 102 -18.313 -2.394 14.504 1.00 0.00 C ATOM 1546 CG GLU A 102 -17.590 -2.777 15.797 1.00 0.00 C ATOM 1547 CD GLU A 102 -17.710 -4.277 16.069 1.00 0.00 C ATOM 1548 OE1 GLU A 102 -17.039 -5.041 15.342 1.00 0.00 O ATOM 1549 OE2 GLU A 102 -18.471 -4.627 16.997 1.00 0.00 O ATOM 0 H GLU A 102 -18.757 -0.020 15.178 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.568 -1.349 13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -19.356 -2.163 14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.310 -3.240 13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.538 -2.500 15.725 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -18.011 -2.218 16.632 1.00 0.00 H new ATOM 1556 N TYR A 103 -17.126 -0.659 11.546 1.00 0.00 N ATOM 1557 CA TYR A 103 -17.392 -0.494 10.127 1.00 0.00 C ATOM 1558 C TYR A 103 -16.350 -1.230 9.283 1.00 0.00 C ATOM 1559 O TYR A 103 -15.235 -1.475 9.743 1.00 0.00 O ATOM 1560 CB TYR A 103 -17.287 1.007 9.851 1.00 0.00 C ATOM 1561 CG TYR A 103 -18.514 1.809 10.291 1.00 0.00 C ATOM 1562 CD1 TYR A 103 -19.618 1.889 9.468 1.00 0.00 C ATOM 1563 CD2 TYR A 103 -18.515 2.452 11.513 1.00 0.00 C ATOM 1564 CE1 TYR A 103 -20.772 2.643 9.882 1.00 0.00 C ATOM 1565 CE2 TYR A 103 -19.670 3.206 11.927 1.00 0.00 C ATOM 1566 CZ TYR A 103 -20.741 3.265 11.092 1.00 0.00 C ATOM 1567 OH TYR A 103 -21.832 3.977 11.483 1.00 0.00 O ATOM 0 H TYR A 103 -16.170 -0.443 11.828 1.00 0.00 H new ATOM 0 HA TYR A 103 -18.371 -0.899 9.871 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -16.407 1.399 10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -17.130 1.159 8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -19.617 1.386 8.512 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -17.651 2.390 12.158 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -21.643 2.714 9.247 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -19.685 3.714 12.880 1.00 0.00 H new ATOM 0 HH TYR A 103 -21.669 4.365 12.368 1.00 0.00 H new ATOM 1577 N TRP A 104 -16.749 -1.562 8.064 1.00 0.00 N ATOM 1578 CA TRP A 104 -15.862 -2.265 7.153 1.00 0.00 C ATOM 1579 C TRP A 104 -15.339 -1.255 6.129 1.00 0.00 C ATOM 1580 O TRP A 104 -16.119 -0.646 5.398 1.00 0.00 O ATOM 1581 CB TRP A 104 -16.573 -3.457 6.508 1.00 0.00 C ATOM 1582 CG TRP A 104 -17.634 -3.066 5.477 1.00 0.00 C ATOM 1583 CD1 TRP A 104 -17.531 -3.082 4.141 1.00 0.00 C ATOM 1584 CD2 TRP A 104 -18.970 -2.597 5.754 1.00 0.00 C ATOM 1585 NE1 TRP A 104 -18.699 -2.659 3.539 1.00 0.00 N ATOM 1586 CE2 TRP A 104 -19.602 -2.355 4.551 1.00 0.00 C ATOM 1587 CE3 TRP A 104 -19.624 -2.384 6.981 1.00 0.00 C ATOM 1588 CZ2 TRP A 104 -20.918 -1.888 4.457 1.00 0.00 C ATOM 1589 CZ3 TRP A 104 -20.939 -1.917 6.869 1.00 0.00 C ATOM 1590 CH2 TRP A 104 -21.589 -1.669 5.666 1.00 0.00 C ATOM 0 H TRP A 104 -17.674 -1.357 7.686 1.00 0.00 H new ATOM 0 HA TRP A 104 -15.013 -2.688 7.690 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.830 -4.093 6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -17.043 -4.053 7.290 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.646 -3.387 3.603 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.868 -2.583 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -19.149 -2.566 7.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.391 -1.706 3.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.487 -1.737 7.782 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.607 -1.309 5.664 1.00 0.00 H new ATOM 1601 N TRP A 105 -14.023 -1.109 6.109 1.00 0.00 N ATOM 1602 CA TRP A 105 -13.387 -0.184 5.187 1.00 0.00 C ATOM 1603 C TRP A 105 -12.741 -1.002 4.066 1.00 0.00 C ATOM 1604 O TRP A 105 -11.614 -1.473 4.207 1.00 0.00 O ATOM 1605 CB TRP A 105 -12.391 0.720 5.917 1.00 0.00 C ATOM 1606 CG TRP A 105 -13.041 1.885 6.666 1.00 0.00 C ATOM 1607 CD1 TRP A 105 -13.839 1.832 7.741 1.00 0.00 C ATOM 1608 CD2 TRP A 105 -12.916 3.287 6.350 1.00 0.00 C ATOM 1609 NE1 TRP A 105 -14.236 3.092 8.140 1.00 0.00 N ATOM 1610 CE2 TRP A 105 -13.656 4.005 7.267 1.00 0.00 C ATOM 1611 CE3 TRP A 105 -12.200 3.928 5.324 1.00 0.00 C ATOM 1612 CZ2 TRP A 105 -13.752 5.402 7.249 1.00 0.00 C ATOM 1613 CZ3 TRP A 105 -12.307 5.324 5.320 1.00 0.00 C ATOM 1614 CH2 TRP A 105 -13.048 6.062 6.235 1.00 0.00 C ATOM 0 H TRP A 105 -13.379 -1.616 6.717 1.00 0.00 H new ATOM 0 HA TRP A 105 -14.123 0.489 4.747 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -11.822 0.118 6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -11.680 1.118 5.193 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -14.135 0.918 8.234 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -14.843 3.313 8.930 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -11.614 3.386 4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -14.338 5.941 7.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -11.776 5.866 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -13.081 7.139 6.164 1.00 0.00 H new ATOM 1625 N ASN A 106 -13.484 -1.145 2.978 1.00 0.00 N ATOM 1626 CA ASN A 106 -12.998 -1.897 1.834 1.00 0.00 C ATOM 1627 C ASN A 106 -12.494 -0.925 0.766 1.00 0.00 C ATOM 1628 O ASN A 106 -12.216 -1.326 -0.363 1.00 0.00 O ATOM 1629 CB ASN A 106 -14.114 -2.741 1.216 1.00 0.00 C ATOM 1630 CG ASN A 106 -14.600 -3.811 2.196 1.00 0.00 C ATOM 1631 OD1 ASN A 106 -14.103 -3.948 3.302 1.00 0.00 O ATOM 1632 ND2 ASN A 106 -15.597 -4.558 1.731 1.00 0.00 N ATOM 0 H ASN A 106 -14.419 -0.753 2.865 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.197 -2.552 2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.947 -2.097 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.753 -3.216 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.992 -5.299 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.967 -4.390 0.795 1.00 0.00 H new ATOM 1639 N ALA A 107 -12.390 0.336 1.161 1.00 0.00 N ATOM 1640 CA ALA A 107 -11.924 1.369 0.252 1.00 0.00 C ATOM 1641 C ALA A 107 -11.867 2.706 0.992 1.00 0.00 C ATOM 1642 O ALA A 107 -12.811 3.076 1.688 1.00 0.00 O ATOM 1643 CB ALA A 107 -12.838 1.420 -0.974 1.00 0.00 C ATOM 0 H ALA A 107 -12.621 0.665 2.098 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.917 1.144 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.489 2.195 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.821 0.455 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.857 1.646 -0.659 1.00 0.00 H new ATOM 1649 N ILE A 108 -10.749 3.396 0.817 1.00 0.00 N ATOM 1650 CA ILE A 108 -10.556 4.684 1.461 1.00 0.00 C ATOM 1651 C ILE A 108 -11.475 5.718 0.808 1.00 0.00 C ATOM 1652 O ILE A 108 -12.334 6.297 1.471 1.00 0.00 O ATOM 1653 CB ILE A 108 -9.077 5.077 1.441 1.00 0.00 C ATOM 1654 CG1 ILE A 108 -8.221 4.023 2.147 1.00 0.00 C ATOM 1655 CG2 ILE A 108 -8.872 6.473 2.033 1.00 0.00 C ATOM 1656 CD1 ILE A 108 -8.109 4.321 3.644 1.00 0.00 C ATOM 0 H ILE A 108 -9.968 3.087 0.238 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.833 4.629 2.514 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.748 5.117 0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.659 3.036 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.226 3.999 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.812 6.727 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.435 7.202 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.223 6.486 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.496 3.557 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.648 5.298 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.103 4.320 4.091 1.00 0.00 H new ATOM 1668 N LEU A 109 -11.263 5.918 -0.485 1.00 0.00 N ATOM 1669 CA LEU A 109 -12.062 6.872 -1.235 1.00 0.00 C ATOM 1670 C LEU A 109 -13.179 6.129 -1.971 1.00 0.00 C ATOM 1671 O LEU A 109 -13.148 4.904 -2.079 1.00 0.00 O ATOM 1672 CB LEU A 109 -11.172 7.711 -2.155 1.00 0.00 C ATOM 1673 CG LEU A 109 -9.993 8.418 -1.484 1.00 0.00 C ATOM 1674 CD1 LEU A 109 -9.143 9.164 -2.515 1.00 0.00 C ATOM 1675 CD2 LEU A 109 -10.473 9.341 -0.362 1.00 0.00 C ATOM 0 H LEU A 109 -10.550 5.436 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.541 7.581 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.783 7.063 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.793 8.464 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.356 7.661 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.312 9.658 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.755 8.456 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.756 9.910 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.615 9.831 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.144 10.095 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.002 8.755 0.390 1.00 0.00 H new ATOM 1687 N GLU A 110 -14.140 6.901 -2.457 1.00 0.00 N ATOM 1688 CA GLU A 110 -15.264 6.331 -3.179 1.00 0.00 C ATOM 1689 C GLU A 110 -14.821 5.858 -4.565 1.00 0.00 C ATOM 1690 O GLU A 110 -13.762 6.254 -5.050 1.00 0.00 O ATOM 1691 CB GLU A 110 -16.414 7.335 -3.285 1.00 0.00 C ATOM 1692 CG GLU A 110 -17.460 7.087 -2.197 1.00 0.00 C ATOM 1693 CD GLU A 110 -18.790 6.637 -2.807 1.00 0.00 C ATOM 1694 OE1 GLU A 110 -19.569 7.534 -3.194 1.00 0.00 O ATOM 1695 OE2 GLU A 110 -18.996 5.406 -2.871 1.00 0.00 O ATOM 0 H GLU A 110 -14.163 7.917 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.628 5.468 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -16.025 8.349 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -16.880 7.257 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -17.097 6.327 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -17.611 7.998 -1.618 1.00 0.00 H new ATOM 1702 N GLY A 111 -15.652 5.017 -5.163 1.00 0.00 N ATOM 1703 CA GLY A 111 -15.359 4.486 -6.483 1.00 0.00 C ATOM 1704 C GLY A 111 -14.369 3.322 -6.398 1.00 0.00 C ATOM 1705 O GLY A 111 -14.615 2.252 -6.952 1.00 0.00 O ATOM 0 H GLY A 111 -16.529 4.690 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.281 4.150 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.946 5.274 -7.113 1.00 0.00 H new ATOM 1709 N GLU A 112 -13.271 3.571 -5.701 1.00 0.00 N ATOM 1710 CA GLU A 112 -12.243 2.558 -5.536 1.00 0.00 C ATOM 1711 C GLU A 112 -12.875 1.217 -5.156 1.00 0.00 C ATOM 1712 O GLU A 112 -13.442 1.079 -4.073 1.00 0.00 O ATOM 1713 CB GLU A 112 -11.208 2.990 -4.496 1.00 0.00 C ATOM 1714 CG GLU A 112 -9.858 2.316 -4.752 1.00 0.00 C ATOM 1715 CD GLU A 112 -8.867 3.297 -5.382 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.846 3.358 -6.631 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.153 3.963 -4.602 1.00 0.00 O ATOM 0 H GLU A 112 -13.070 4.460 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.725 2.437 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.089 4.073 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.562 2.735 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.453 1.936 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.995 1.458 -5.410 1.00 0.00 H new ATOM 1724 N GLU A 113 -12.757 0.264 -6.069 1.00 0.00 N ATOM 1725 CA GLU A 113 -13.310 -1.061 -5.843 1.00 0.00 C ATOM 1726 C GLU A 113 -12.976 -1.542 -4.429 1.00 0.00 C ATOM 1727 O GLU A 113 -12.108 -0.976 -3.766 1.00 0.00 O ATOM 1728 CB GLU A 113 -12.805 -2.052 -6.893 1.00 0.00 C ATOM 1729 CG GLU A 113 -13.773 -2.140 -8.075 1.00 0.00 C ATOM 1730 CD GLU A 113 -15.189 -2.473 -7.600 1.00 0.00 C ATOM 1731 OE1 GLU A 113 -15.473 -3.683 -7.466 1.00 0.00 O ATOM 1732 OE2 GLU A 113 -15.955 -1.510 -7.382 1.00 0.00 O ATOM 0 H GLU A 113 -12.287 0.383 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.394 -1.002 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.821 -1.743 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.687 -3.037 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.780 -1.193 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.431 -2.903 -8.774 1.00 0.00 H new ATOM 1739 N PRO A 114 -13.702 -2.608 -3.998 1.00 0.00 N ATOM 1740 CA PRO A 114 -13.491 -3.172 -2.676 1.00 0.00 C ATOM 1741 C PRO A 114 -12.198 -3.988 -2.627 1.00 0.00 C ATOM 1742 O PRO A 114 -12.006 -4.902 -3.427 1.00 0.00 O ATOM 1743 CB PRO A 114 -14.731 -4.007 -2.402 1.00 0.00 C ATOM 1744 CG PRO A 114 -15.373 -4.256 -3.757 1.00 0.00 C ATOM 1745 CD PRO A 114 -14.738 -3.303 -4.756 1.00 0.00 C ATOM 0 HA PRO A 114 -13.364 -2.408 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -14.470 -4.946 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.416 -3.482 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -15.222 -5.290 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -16.449 -4.093 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -14.314 -3.842 -5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -15.471 -2.604 -5.158 1.00 0.00 H new ATOM 1753 N ILE A 115 -11.344 -3.628 -1.680 1.00 0.00 N ATOM 1754 CA ILE A 115 -10.074 -4.316 -1.516 1.00 0.00 C ATOM 1755 C ILE A 115 -10.314 -5.827 -1.513 1.00 0.00 C ATOM 1756 O ILE A 115 -11.459 -6.277 -1.534 1.00 0.00 O ATOM 1757 CB ILE A 115 -9.346 -3.806 -0.271 1.00 0.00 C ATOM 1758 CG1 ILE A 115 -10.202 -3.998 0.982 1.00 0.00 C ATOM 1759 CG2 ILE A 115 -8.908 -2.351 -0.448 1.00 0.00 C ATOM 1760 CD1 ILE A 115 -9.521 -3.391 2.210 1.00 0.00 C ATOM 0 H ILE A 115 -11.506 -2.869 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.412 -4.100 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.442 -4.400 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.177 -3.533 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -10.378 -5.061 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.393 -2.014 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -8.234 -2.275 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.784 -1.726 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.151 -3.541 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -8.557 -3.875 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.369 -2.323 2.051 1.00 0.00 H new ATOM 1772 N ASP A 116 -9.216 -6.568 -1.488 1.00 0.00 N ATOM 1773 CA ASP A 116 -9.293 -8.019 -1.482 1.00 0.00 C ATOM 1774 C ASP A 116 -7.934 -8.595 -1.080 1.00 0.00 C ATOM 1775 O ASP A 116 -6.948 -8.427 -1.796 1.00 0.00 O ATOM 1776 CB ASP A 116 -9.643 -8.557 -2.871 1.00 0.00 C ATOM 1777 CG ASP A 116 -9.488 -10.071 -3.035 1.00 0.00 C ATOM 1778 OD1 ASP A 116 -10.219 -10.796 -2.326 1.00 0.00 O ATOM 1779 OD2 ASP A 116 -8.643 -10.468 -3.866 1.00 0.00 O ATOM 0 H ASP A 116 -8.268 -6.191 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.069 -8.313 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.673 -8.285 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.011 -8.060 -3.607 1.00 0.00 H new ATOM 1784 N ILE A 117 -7.925 -9.263 0.064 1.00 0.00 N ATOM 1785 CA ILE A 117 -6.704 -9.866 0.570 1.00 0.00 C ATOM 1786 C ILE A 117 -5.956 -10.537 -0.584 1.00 0.00 C ATOM 1787 O ILE A 117 -6.557 -10.885 -1.599 1.00 0.00 O ATOM 1788 CB ILE A 117 -7.014 -10.810 1.734 1.00 0.00 C ATOM 1789 CG1 ILE A 117 -7.039 -10.052 3.062 1.00 0.00 C ATOM 1790 CG2 ILE A 117 -6.034 -11.985 1.762 1.00 0.00 C ATOM 1791 CD1 ILE A 117 -7.460 -10.972 4.210 1.00 0.00 C ATOM 0 H ILE A 117 -8.745 -9.400 0.655 1.00 0.00 H new ATOM 0 HA ILE A 117 -6.043 -9.102 0.978 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.010 -11.225 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.052 -9.637 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.730 -9.212 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.276 -12.641 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -6.109 -12.544 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -5.018 -11.608 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.470 -10.409 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.457 -11.366 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.753 -11.798 4.292 1.00 0.00 H new ATOM 1803 N ASP A 118 -4.655 -10.698 -0.389 1.00 0.00 N ATOM 1804 CA ASP A 118 -3.819 -11.321 -1.401 1.00 0.00 C ATOM 1805 C ASP A 118 -4.201 -12.796 -1.535 1.00 0.00 C ATOM 1806 O ASP A 118 -4.490 -13.459 -0.540 1.00 0.00 O ATOM 1807 CB ASP A 118 -2.340 -11.249 -1.014 1.00 0.00 C ATOM 1808 CG ASP A 118 -1.381 -11.921 -1.998 1.00 0.00 C ATOM 1809 OD1 ASP A 118 -1.403 -11.513 -3.180 1.00 0.00 O ATOM 1810 OD2 ASP A 118 -0.647 -12.826 -1.547 1.00 0.00 O ATOM 0 H ASP A 118 -4.160 -10.408 0.454 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.973 -10.789 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.057 -10.201 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.213 -11.710 -0.034 1.00 0.00 H new ATOM 1815 N SER A 119 -4.191 -13.267 -2.773 1.00 0.00 N ATOM 1816 CA SER A 119 -4.534 -14.652 -3.050 1.00 0.00 C ATOM 1817 C SER A 119 -3.571 -15.232 -4.088 1.00 0.00 C ATOM 1818 O SER A 119 -3.629 -14.872 -5.263 1.00 0.00 O ATOM 1819 CB SER A 119 -5.978 -14.775 -3.539 1.00 0.00 C ATOM 1820 OG SER A 119 -6.259 -13.873 -4.606 1.00 0.00 O ATOM 0 H SER A 119 -3.951 -12.714 -3.596 1.00 0.00 H new ATOM 0 HA SER A 119 -4.444 -15.218 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 119 -6.163 -15.797 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 119 -6.659 -14.580 -2.711 1.00 0.00 H new ATOM 0 HG SER A 119 -5.461 -13.770 -5.166 1.00 0.00 H new ATOM 1826 N GLY A 120 -2.707 -16.119 -3.616 1.00 0.00 N ATOM 1827 CA GLY A 120 -1.732 -16.752 -4.489 1.00 0.00 C ATOM 1828 C GLY A 120 -0.642 -15.761 -4.903 1.00 0.00 C ATOM 1829 O GLY A 120 -0.303 -14.853 -4.146 1.00 0.00 O ATOM 0 H GLY A 120 -2.662 -16.414 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.280 -17.603 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.231 -17.141 -5.377 1.00 0.00 H new ATOM 1833 N PRO A 121 -0.110 -15.975 -6.136 1.00 0.00 N ATOM 1834 CA PRO A 121 0.935 -15.112 -6.660 1.00 0.00 C ATOM 1835 C PRO A 121 0.362 -13.764 -7.103 1.00 0.00 C ATOM 1836 O PRO A 121 -0.792 -13.684 -7.521 1.00 0.00 O ATOM 1837 CB PRO A 121 1.558 -15.897 -7.802 1.00 0.00 C ATOM 1838 CG PRO A 121 0.544 -16.966 -8.176 1.00 0.00 C ATOM 1839 CD PRO A 121 -0.487 -17.040 -7.060 1.00 0.00 C ATOM 0 HA PRO A 121 1.686 -14.860 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.772 -15.248 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.504 -16.345 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.064 -16.722 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.036 -17.930 -8.306 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.497 -16.893 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.471 -18.014 -6.570 1.00 0.00 H new ATOM 1847 N SER A 122 1.195 -12.739 -6.997 1.00 0.00 N ATOM 1848 CA SER A 122 0.786 -11.399 -7.382 1.00 0.00 C ATOM 1849 C SER A 122 1.987 -10.620 -7.920 1.00 0.00 C ATOM 1850 O SER A 122 2.852 -10.199 -7.153 1.00 0.00 O ATOM 1851 CB SER A 122 0.156 -10.656 -6.202 1.00 0.00 C ATOM 1852 OG SER A 122 -1.262 -10.800 -6.176 1.00 0.00 O ATOM 0 H SER A 122 2.152 -12.810 -6.650 1.00 0.00 H new ATOM 0 HA SER A 122 0.034 -11.482 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.576 -11.034 -5.270 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.412 -9.598 -6.261 1.00 0.00 H new ATOM 0 HG SER A 122 -1.548 -11.057 -5.275 1.00 0.00 H new ATOM 1858 N SER A 123 2.001 -10.450 -9.234 1.00 0.00 N ATOM 1859 CA SER A 123 3.082 -9.729 -9.883 1.00 0.00 C ATOM 1860 C SER A 123 2.676 -9.350 -11.309 1.00 0.00 C ATOM 1861 O SER A 123 2.053 -10.143 -12.012 1.00 0.00 O ATOM 1862 CB SER A 123 4.367 -10.559 -9.901 1.00 0.00 C ATOM 1863 OG SER A 123 5.522 -9.762 -9.655 1.00 0.00 O ATOM 0 H SER A 123 1.281 -10.799 -9.866 1.00 0.00 H new ATOM 0 HA SER A 123 3.277 -8.821 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.302 -11.344 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.466 -11.052 -10.868 1.00 0.00 H new ATOM 0 HG SER A 123 6.321 -10.329 -9.673 1.00 0.00 H new ATOM 1869 N GLY A 124 3.045 -8.137 -11.693 1.00 0.00 N ATOM 1870 CA GLY A 124 2.727 -7.643 -13.022 1.00 0.00 C ATOM 1871 C GLY A 124 1.590 -6.621 -12.969 1.00 0.00 C ATOM 1872 O GLY A 124 1.723 -5.511 -13.482 1.00 0.00 O ATOM 0 H GLY A 124 3.561 -7.481 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.612 -7.186 -13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 124 2.443 -8.476 -13.665 1.00 0.00 H new TER 1876 GLY A 124