USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 62 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.4) USER MOD Set 1.2: A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.96 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 30:sc= 0.00372 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.177 K(o=-0.18,f=0.49) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc=-0.00253 (180deg=-0.357) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 170:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.054) USER MOD Single : A 68 GLN : amide:sc= -4.62! C(o=-4.6!,f=-4.9!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.552 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.039 -20.180 5.343 1.00 0.00 N ATOM 2 CA MET A 1 -8.846 -21.129 4.259 1.00 0.00 C ATOM 3 C MET A 1 -9.905 -20.942 3.171 1.00 0.00 C ATOM 4 O MET A 1 -10.953 -21.585 3.204 1.00 0.00 O ATOM 5 CB MET A 1 -8.923 -22.554 4.809 1.00 0.00 C ATOM 6 CG MET A 1 -7.632 -23.323 4.523 1.00 0.00 C ATOM 7 SD MET A 1 -7.232 -24.381 5.904 1.00 0.00 S ATOM 8 CE MET A 1 -5.463 -24.154 5.967 1.00 0.00 C ATOM 0 H1 MET A 1 -8.308 -20.328 6.068 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.968 -19.211 4.973 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.979 -20.322 5.765 1.00 0.00 H new ATOM 0 HA MET A 1 -7.865 -20.953 3.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.102 -22.524 5.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.768 -23.076 4.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.748 -23.920 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.815 -22.624 4.341 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.049 -24.749 6.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.021 -24.473 5.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.237 -23.101 6.136 1.00 0.00 H new ATOM 18 N SER A 2 -9.595 -20.059 2.233 1.00 0.00 N ATOM 19 CA SER A 2 -10.507 -19.780 1.138 1.00 0.00 C ATOM 20 C SER A 2 -11.764 -19.086 1.667 1.00 0.00 C ATOM 21 O SER A 2 -12.810 -19.717 1.814 1.00 0.00 O ATOM 22 CB SER A 2 -10.883 -21.063 0.393 1.00 0.00 C ATOM 23 OG SER A 2 -11.101 -20.830 -0.996 1.00 0.00 O ATOM 0 H SER A 2 -8.725 -19.528 2.209 1.00 0.00 H new ATOM 0 HA SER A 2 -10.003 -19.118 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.089 -21.800 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.784 -21.488 0.835 1.00 0.00 H new ATOM 0 HG SER A 2 -11.337 -21.673 -1.436 1.00 0.00 H new ATOM 29 N THR A 3 -11.620 -17.798 1.938 1.00 0.00 N ATOM 30 CA THR A 3 -12.731 -17.012 2.447 1.00 0.00 C ATOM 31 C THR A 3 -13.273 -16.085 1.357 1.00 0.00 C ATOM 32 O THR A 3 -14.434 -16.193 0.966 1.00 0.00 O ATOM 33 CB THR A 3 -12.251 -16.267 3.694 1.00 0.00 C ATOM 34 OG1 THR A 3 -12.050 -17.297 4.658 1.00 0.00 O ATOM 35 CG2 THR A 3 -13.342 -15.389 4.309 1.00 0.00 C ATOM 0 H THR A 3 -10.751 -17.278 1.815 1.00 0.00 H new ATOM 0 HA THR A 3 -13.568 -17.650 2.733 1.00 0.00 H new ATOM 0 HB THR A 3 -11.390 -15.649 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.736 -16.902 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.948 -14.883 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.666 -14.647 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.190 -16.010 4.596 1.00 0.00 H new ATOM 43 N ASP A 4 -12.406 -15.195 0.897 1.00 0.00 N ATOM 44 CA ASP A 4 -12.783 -14.250 -0.140 1.00 0.00 C ATOM 45 C ASP A 4 -12.465 -14.850 -1.511 1.00 0.00 C ATOM 46 O ASP A 4 -13.357 -15.018 -2.341 1.00 0.00 O ATOM 47 CB ASP A 4 -12.002 -12.941 -0.003 1.00 0.00 C ATOM 48 CG ASP A 4 -12.816 -11.754 0.515 1.00 0.00 C ATOM 49 OD1 ASP A 4 -13.942 -11.917 1.006 1.00 0.00 O ATOM 50 OD2 ASP A 4 -12.240 -10.605 0.396 1.00 0.00 O ATOM 0 H ASP A 4 -11.444 -15.108 1.224 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.849 -14.046 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.160 -13.106 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.586 -12.680 -0.976 1.00 0.00 H new ATOM 55 N THR A 5 -11.191 -15.156 -1.705 1.00 0.00 N ATOM 56 CA THR A 5 -10.743 -15.734 -2.961 1.00 0.00 C ATOM 57 C THR A 5 -11.474 -15.083 -4.138 1.00 0.00 C ATOM 58 O THR A 5 -11.999 -15.777 -5.007 1.00 0.00 O ATOM 59 CB THR A 5 -10.945 -17.248 -2.883 1.00 0.00 C ATOM 60 OG1 THR A 5 -10.521 -17.721 -4.159 1.00 0.00 O ATOM 61 CG2 THR A 5 -12.422 -17.640 -2.813 1.00 0.00 C ATOM 0 H THR A 5 -10.454 -15.015 -1.014 1.00 0.00 H new ATOM 0 HA THR A 5 -9.684 -15.541 -3.130 1.00 0.00 H new ATOM 0 HB THR A 5 -10.424 -17.638 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.030 -17.266 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.508 -18.725 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.875 -17.196 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.937 -17.279 -3.703 1.00 0.00 H new ATOM 69 N GLY A 6 -11.484 -13.758 -4.127 1.00 0.00 N ATOM 70 CA GLY A 6 -12.142 -13.007 -5.182 1.00 0.00 C ATOM 71 C GLY A 6 -12.292 -11.534 -4.794 1.00 0.00 C ATOM 72 O GLY A 6 -11.416 -10.967 -4.143 1.00 0.00 O ATOM 0 H GLY A 6 -11.047 -13.186 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.566 -13.087 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.124 -13.436 -5.381 1.00 0.00 H new ATOM 76 N VAL A 7 -13.410 -10.957 -5.210 1.00 0.00 N ATOM 77 CA VAL A 7 -13.686 -9.561 -4.914 1.00 0.00 C ATOM 78 C VAL A 7 -15.089 -9.440 -4.316 1.00 0.00 C ATOM 79 O VAL A 7 -16.066 -9.272 -5.044 1.00 0.00 O ATOM 80 CB VAL A 7 -13.498 -8.712 -6.173 1.00 0.00 C ATOM 81 CG1 VAL A 7 -13.810 -7.241 -5.894 1.00 0.00 C ATOM 82 CG2 VAL A 7 -12.086 -8.876 -6.739 1.00 0.00 C ATOM 0 H VAL A 7 -14.135 -11.430 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.982 -9.181 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.203 -9.067 -6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.668 -6.660 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.843 -7.145 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.141 -6.868 -5.118 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.979 -8.262 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.356 -8.561 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -11.916 -9.922 -6.994 1.00 0.00 H new ATOM 92 N SER A 8 -15.144 -9.530 -2.995 1.00 0.00 N ATOM 93 CA SER A 8 -16.411 -9.432 -2.290 1.00 0.00 C ATOM 94 C SER A 8 -16.869 -7.973 -2.238 1.00 0.00 C ATOM 95 O SER A 8 -17.938 -7.636 -2.744 1.00 0.00 O ATOM 96 CB SER A 8 -16.300 -10.005 -0.876 1.00 0.00 C ATOM 97 OG SER A 8 -17.427 -9.666 -0.073 1.00 0.00 O ATOM 0 H SER A 8 -14.331 -9.670 -2.394 1.00 0.00 H new ATOM 0 HA SER A 8 -17.151 -10.019 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.207 -11.090 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.392 -9.630 -0.403 1.00 0.00 H new ATOM 0 HG SER A 8 -17.319 -10.051 0.822 1.00 0.00 H new ATOM 103 N LEU A 9 -16.038 -7.147 -1.620 1.00 0.00 N ATOM 104 CA LEU A 9 -16.344 -5.732 -1.494 1.00 0.00 C ATOM 105 C LEU A 9 -16.436 -5.109 -2.889 1.00 0.00 C ATOM 106 O LEU A 9 -15.820 -5.600 -3.834 1.00 0.00 O ATOM 107 CB LEU A 9 -15.330 -5.043 -0.579 1.00 0.00 C ATOM 108 CG LEU A 9 -15.287 -5.539 0.868 1.00 0.00 C ATOM 109 CD1 LEU A 9 -13.844 -5.722 1.342 1.00 0.00 C ATOM 110 CD2 LEU A 9 -16.081 -4.611 1.790 1.00 0.00 C ATOM 0 H LEU A 9 -15.152 -7.431 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.314 -5.593 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.338 -5.164 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.546 -3.975 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.765 -6.518 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.842 -6.075 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.342 -6.452 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.318 -4.769 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.034 -4.986 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.655 -3.608 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.120 -4.576 1.464 1.00 0.00 H new ATOM 122 N PRO A 10 -17.230 -4.008 -2.975 1.00 0.00 N ATOM 123 CA PRO A 10 -17.411 -3.313 -4.238 1.00 0.00 C ATOM 124 C PRO A 10 -16.172 -2.489 -4.593 1.00 0.00 C ATOM 125 O PRO A 10 -16.147 -1.277 -4.383 1.00 0.00 O ATOM 126 CB PRO A 10 -18.655 -2.462 -4.044 1.00 0.00 C ATOM 127 CG PRO A 10 -18.856 -2.354 -2.542 1.00 0.00 C ATOM 128 CD PRO A 10 -17.975 -3.399 -1.877 1.00 0.00 C ATOM 0 HA PRO A 10 -17.538 -3.995 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -18.528 -1.477 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.521 -2.921 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.594 -1.355 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.902 -2.517 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.305 -2.945 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.572 -4.140 -1.345 1.00 0.00 H new ATOM 136 N SER A 11 -15.173 -3.179 -5.124 1.00 0.00 N ATOM 137 CA SER A 11 -13.933 -2.527 -5.509 1.00 0.00 C ATOM 138 C SER A 11 -13.328 -3.229 -6.726 1.00 0.00 C ATOM 139 O SER A 11 -13.302 -4.457 -6.788 1.00 0.00 O ATOM 140 CB SER A 11 -12.934 -2.515 -4.351 1.00 0.00 C ATOM 141 OG SER A 11 -13.011 -1.312 -3.591 1.00 0.00 O ATOM 0 H SER A 11 -15.197 -4.184 -5.297 1.00 0.00 H new ATOM 0 HA SER A 11 -14.157 -1.493 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.124 -3.368 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.924 -2.632 -4.743 1.00 0.00 H new ATOM 0 HG SER A 11 -13.926 -0.962 -3.624 1.00 0.00 H new ATOM 147 N TYR A 12 -12.856 -2.420 -7.663 1.00 0.00 N ATOM 148 CA TYR A 12 -12.253 -2.949 -8.874 1.00 0.00 C ATOM 149 C TYR A 12 -13.110 -4.067 -9.470 1.00 0.00 C ATOM 150 O TYR A 12 -13.017 -5.218 -9.046 1.00 0.00 O ATOM 151 CB TYR A 12 -10.901 -3.528 -8.453 1.00 0.00 C ATOM 152 CG TYR A 12 -9.773 -2.496 -8.393 1.00 0.00 C ATOM 153 CD1 TYR A 12 -9.550 -1.654 -9.463 1.00 0.00 C ATOM 154 CD2 TYR A 12 -8.980 -2.406 -7.267 1.00 0.00 C ATOM 155 CE1 TYR A 12 -8.489 -0.682 -9.406 1.00 0.00 C ATOM 156 CE2 TYR A 12 -7.918 -1.434 -7.210 1.00 0.00 C ATOM 157 CZ TYR A 12 -7.725 -0.620 -8.282 1.00 0.00 C ATOM 158 OH TYR A 12 -6.723 0.298 -8.228 1.00 0.00 O ATOM 0 H TYR A 12 -12.879 -1.402 -7.608 1.00 0.00 H new ATOM 0 HA TYR A 12 -12.157 -2.168 -9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.006 -3.993 -7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.621 -4.316 -9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.171 -1.724 -10.344 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.155 -3.064 -6.429 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.304 -0.017 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.289 -1.354 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.262 0.229 -7.366 1.00 0.00 H new ATOM 168 N GLU A 13 -13.925 -3.689 -10.444 1.00 0.00 N ATOM 169 CA GLU A 13 -14.798 -4.646 -11.103 1.00 0.00 C ATOM 170 C GLU A 13 -14.040 -5.381 -12.210 1.00 0.00 C ATOM 171 O GLU A 13 -12.913 -5.017 -12.545 1.00 0.00 O ATOM 172 CB GLU A 13 -16.046 -3.958 -11.658 1.00 0.00 C ATOM 173 CG GLU A 13 -17.120 -3.817 -10.577 1.00 0.00 C ATOM 174 CD GLU A 13 -17.433 -2.344 -10.304 1.00 0.00 C ATOM 175 OE1 GLU A 13 -18.253 -1.743 -11.013 1.00 0.00 O ATOM 176 OE2 GLU A 13 -16.791 -1.825 -9.313 1.00 0.00 O ATOM 0 H GLU A 13 -13.999 -2.733 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.125 -5.378 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.782 -2.973 -12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.441 -4.533 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.027 -4.333 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.782 -4.297 -9.659 1.00 0.00 H new ATOM 183 N GLU A 14 -14.688 -6.404 -12.748 1.00 0.00 N ATOM 184 CA GLU A 14 -14.089 -7.194 -13.811 1.00 0.00 C ATOM 185 C GLU A 14 -12.869 -7.954 -13.285 1.00 0.00 C ATOM 186 O GLU A 14 -12.388 -7.678 -12.187 1.00 0.00 O ATOM 187 CB GLU A 14 -13.713 -6.313 -15.004 1.00 0.00 C ATOM 188 CG GLU A 14 -13.811 -7.095 -16.315 1.00 0.00 C ATOM 189 CD GLU A 14 -13.902 -6.147 -17.513 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.884 -5.571 -17.927 1.00 0.00 O ATOM 191 OE2 GLU A 14 -15.082 -6.019 -18.019 1.00 0.00 O ATOM 0 H GLU A 14 -15.622 -6.704 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.825 -7.921 -14.155 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.373 -5.446 -15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.698 -5.935 -14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.940 -7.741 -16.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.687 -7.743 -16.292 1.00 0.00 H new ATOM 198 N ASP A 15 -12.405 -8.896 -14.093 1.00 0.00 N ATOM 199 CA ASP A 15 -11.251 -9.697 -13.722 1.00 0.00 C ATOM 200 C ASP A 15 -10.094 -8.772 -13.339 1.00 0.00 C ATOM 201 O ASP A 15 -10.046 -7.621 -13.771 1.00 0.00 O ATOM 202 CB ASP A 15 -10.790 -10.572 -14.890 1.00 0.00 C ATOM 203 CG ASP A 15 -10.345 -11.984 -14.504 1.00 0.00 C ATOM 204 OD1 ASP A 15 -11.296 -12.772 -14.130 1.00 0.00 O ATOM 205 OD2 ASP A 15 -9.152 -12.315 -14.558 1.00 0.00 O ATOM 0 H ASP A 15 -12.807 -9.122 -15.003 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.538 -10.334 -12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.604 -10.648 -15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.963 -10.072 -15.395 1.00 0.00 H new ATOM 210 N GLN A 16 -9.191 -9.309 -12.533 1.00 0.00 N ATOM 211 CA GLN A 16 -8.038 -8.546 -12.087 1.00 0.00 C ATOM 212 C GLN A 16 -6.978 -9.480 -11.500 1.00 0.00 C ATOM 213 O GLN A 16 -5.807 -9.406 -11.869 1.00 0.00 O ATOM 214 CB GLN A 16 -8.447 -7.475 -11.074 1.00 0.00 C ATOM 215 CG GLN A 16 -7.318 -6.465 -10.857 1.00 0.00 C ATOM 216 CD GLN A 16 -7.867 -5.132 -10.345 1.00 0.00 C ATOM 217 OE1 GLN A 16 -8.262 -4.993 -9.199 1.00 0.00 O ATOM 218 NE2 GLN A 16 -7.869 -4.162 -11.255 1.00 0.00 N ATOM 0 H GLN A 16 -9.234 -10.264 -12.177 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.608 -8.037 -12.950 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.339 -6.958 -11.427 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.705 -7.946 -10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.599 -6.865 -10.142 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.782 -6.306 -11.793 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.524 -4.346 -12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.216 -3.234 -11.011 1.00 0.00 H new ATOM 227 N GLY A 17 -7.427 -10.338 -10.595 1.00 0.00 N ATOM 228 CA GLY A 17 -6.532 -11.286 -9.953 1.00 0.00 C ATOM 229 C GLY A 17 -5.511 -11.837 -10.950 1.00 0.00 C ATOM 230 O GLY A 17 -4.305 -11.678 -10.762 1.00 0.00 O ATOM 0 H GLY A 17 -8.399 -10.396 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.013 -10.800 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.110 -12.107 -9.528 1.00 0.00 H new ATOM 234 N SER A 18 -6.030 -12.474 -11.989 1.00 0.00 N ATOM 235 CA SER A 18 -5.179 -13.051 -13.016 1.00 0.00 C ATOM 236 C SER A 18 -4.078 -12.060 -13.400 1.00 0.00 C ATOM 237 O SER A 18 -2.906 -12.427 -13.473 1.00 0.00 O ATOM 238 CB SER A 18 -5.994 -13.443 -14.251 1.00 0.00 C ATOM 239 OG SER A 18 -6.031 -14.855 -14.439 1.00 0.00 O ATOM 0 H SER A 18 -7.030 -12.603 -12.142 1.00 0.00 H new ATOM 0 HA SER A 18 -4.722 -13.955 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.011 -13.064 -14.150 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.564 -12.971 -15.134 1.00 0.00 H new ATOM 0 HG SER A 18 -6.562 -15.065 -15.236 1.00 0.00 H new ATOM 245 N LYS A 19 -4.494 -10.824 -13.634 1.00 0.00 N ATOM 246 CA LYS A 19 -3.557 -9.778 -14.009 1.00 0.00 C ATOM 247 C LYS A 19 -2.461 -9.677 -12.946 1.00 0.00 C ATOM 248 O LYS A 19 -1.279 -9.589 -13.274 1.00 0.00 O ATOM 249 CB LYS A 19 -4.296 -8.462 -14.258 1.00 0.00 C ATOM 250 CG LYS A 19 -4.366 -8.147 -15.753 1.00 0.00 C ATOM 251 CD LYS A 19 -5.713 -7.521 -16.119 1.00 0.00 C ATOM 252 CE LYS A 19 -5.566 -6.022 -16.389 1.00 0.00 C ATOM 253 NZ LYS A 19 -6.299 -5.237 -15.370 1.00 0.00 N ATOM 0 H LYS A 19 -5.467 -10.523 -13.571 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.066 -10.024 -14.951 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.304 -8.524 -13.848 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.789 -7.651 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.559 -7.466 -16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.217 -9.061 -16.328 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.120 -8.015 -17.001 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.424 -7.680 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.511 -5.747 -16.379 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.948 -5.786 -17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.189 -4.222 -15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.308 -5.488 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.916 -5.449 -14.427 1.00 0.00 H new ATOM 267 N LEU A 20 -2.893 -9.692 -11.693 1.00 0.00 N ATOM 268 CA LEU A 20 -1.963 -9.603 -10.580 1.00 0.00 C ATOM 269 C LEU A 20 -1.030 -10.815 -10.602 1.00 0.00 C ATOM 270 O LEU A 20 0.099 -10.742 -10.120 1.00 0.00 O ATOM 271 CB LEU A 20 -2.721 -9.434 -9.261 1.00 0.00 C ATOM 272 CG LEU A 20 -2.709 -8.029 -8.656 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.121 -7.442 -8.605 1.00 0.00 C ATOM 274 CD2 LEU A 20 -2.039 -8.029 -7.281 1.00 0.00 C ATOM 0 H LEU A 20 -3.874 -9.764 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.336 -8.716 -10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.758 -9.731 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.300 -10.126 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.115 -7.384 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.084 -6.443 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.528 -7.384 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.758 -8.080 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.044 -7.018 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.584 -8.693 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.010 -8.376 -7.378 1.00 0.00 H new ATOM 286 N ILE A 21 -1.536 -11.901 -11.168 1.00 0.00 N ATOM 287 CA ILE A 21 -0.762 -13.127 -11.259 1.00 0.00 C ATOM 288 C ILE A 21 0.134 -13.068 -12.499 1.00 0.00 C ATOM 289 O ILE A 21 1.121 -13.796 -12.591 1.00 0.00 O ATOM 290 CB ILE A 21 -1.684 -14.347 -11.224 1.00 0.00 C ATOM 291 CG1 ILE A 21 -2.623 -14.290 -10.017 1.00 0.00 C ATOM 292 CG2 ILE A 21 -0.877 -15.646 -11.262 1.00 0.00 C ATOM 293 CD1 ILE A 21 -1.881 -14.650 -8.728 1.00 0.00 C ATOM 0 H ILE A 21 -2.473 -11.957 -11.568 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.105 -13.228 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.307 -14.330 -12.118 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.048 -13.290 -9.929 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.455 -14.978 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.557 -16.498 -11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.287 -15.681 -12.178 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.212 -15.686 -10.399 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.571 -14.602 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.478 -15.659 -8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.065 -13.945 -8.569 1.00 0.00 H new ATOM 305 N ARG A 22 -0.243 -12.195 -13.421 1.00 0.00 N ATOM 306 CA ARG A 22 0.513 -12.032 -14.651 1.00 0.00 C ATOM 307 C ARG A 22 1.935 -11.561 -14.341 1.00 0.00 C ATOM 308 O ARG A 22 2.903 -12.104 -14.872 1.00 0.00 O ATOM 309 CB ARG A 22 -0.160 -11.021 -15.581 1.00 0.00 C ATOM 310 CG ARG A 22 -0.168 -11.526 -17.026 1.00 0.00 C ATOM 311 CD ARG A 22 -1.583 -11.506 -17.606 1.00 0.00 C ATOM 312 NE ARG A 22 -1.533 -11.202 -19.053 1.00 0.00 N ATOM 313 CZ ARG A 22 -1.028 -12.038 -19.985 1.00 0.00 C ATOM 314 NH1 ARG A 22 -0.523 -13.238 -19.627 1.00 0.00 N ATOM 315 NH2 ARG A 22 -1.033 -11.664 -21.251 1.00 0.00 N ATOM 0 H ARG A 22 -1.062 -11.593 -13.341 1.00 0.00 H new ATOM 0 HA ARG A 22 0.548 -13.001 -15.150 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.183 -10.841 -15.249 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.365 -10.067 -15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.488 -10.904 -17.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.230 -12.540 -17.063 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.064 -12.471 -17.445 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.186 -10.759 -17.090 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.903 -10.305 -19.366 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.521 -13.519 -18.646 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.143 -13.864 -20.337 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.415 -10.755 -21.513 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.655 -12.284 -21.967 1.00 0.00 H new ATOM 329 N LYS A 23 2.018 -10.556 -13.481 1.00 0.00 N ATOM 330 CA LYS A 23 3.306 -10.006 -13.094 1.00 0.00 C ATOM 331 C LYS A 23 4.176 -11.120 -12.509 1.00 0.00 C ATOM 332 O LYS A 23 4.979 -11.723 -13.220 1.00 0.00 O ATOM 333 CB LYS A 23 3.118 -8.814 -12.153 1.00 0.00 C ATOM 334 CG LYS A 23 2.519 -7.619 -12.896 1.00 0.00 C ATOM 335 CD LYS A 23 3.611 -6.792 -13.577 1.00 0.00 C ATOM 336 CE LYS A 23 3.072 -6.097 -14.829 1.00 0.00 C ATOM 337 NZ LYS A 23 3.411 -4.656 -14.809 1.00 0.00 N ATOM 0 H LYS A 23 1.214 -10.108 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 23 3.831 -9.615 -13.965 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.466 -9.097 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.078 -8.533 -11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.806 -7.970 -13.642 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.966 -6.992 -12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.996 -6.047 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.447 -7.438 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.492 -6.563 -15.720 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.991 -6.221 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.038 -4.200 -15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.989 -4.212 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.444 -4.543 -14.779 1.00 0.00 H new ATOM 351 N ALA A 24 3.987 -11.360 -11.220 1.00 0.00 N ATOM 352 CA ALA A 24 4.745 -12.392 -10.532 1.00 0.00 C ATOM 353 C ALA A 24 3.808 -13.179 -9.613 1.00 0.00 C ATOM 354 O ALA A 24 2.938 -12.601 -8.964 1.00 0.00 O ATOM 355 CB ALA A 24 5.905 -11.749 -9.769 1.00 0.00 C ATOM 0 H ALA A 24 3.320 -10.858 -10.634 1.00 0.00 H new ATOM 0 HA ALA A 24 5.174 -13.095 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.474 -12.522 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.556 -11.226 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.512 -11.040 -9.040 1.00 0.00 H new ATOM 361 N LYS A 25 4.019 -14.487 -9.587 1.00 0.00 N ATOM 362 CA LYS A 25 3.204 -15.360 -8.759 1.00 0.00 C ATOM 363 C LYS A 25 3.860 -15.509 -7.385 1.00 0.00 C ATOM 364 O LYS A 25 4.639 -16.435 -7.162 1.00 0.00 O ATOM 365 CB LYS A 25 2.954 -16.692 -9.469 1.00 0.00 C ATOM 366 CG LYS A 25 2.005 -17.576 -8.657 1.00 0.00 C ATOM 367 CD LYS A 25 2.338 -19.057 -8.847 1.00 0.00 C ATOM 368 CE LYS A 25 1.065 -19.906 -8.877 1.00 0.00 C ATOM 369 NZ LYS A 25 1.154 -21.008 -7.894 1.00 0.00 N ATOM 0 H LYS A 25 4.742 -14.963 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 25 2.219 -14.922 -8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.530 -16.508 -10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.901 -17.211 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.075 -17.316 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.976 -17.389 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.892 -19.193 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.986 -19.395 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.199 -19.282 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.916 -20.314 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.282 -21.574 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.969 -21.613 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.274 -20.613 -6.939 1.00 0.00 H new ATOM 383 N GLU A 26 3.521 -14.584 -6.499 1.00 0.00 N ATOM 384 CA GLU A 26 4.067 -14.602 -5.152 1.00 0.00 C ATOM 385 C GLU A 26 3.687 -13.320 -4.409 1.00 0.00 C ATOM 386 O GLU A 26 3.244 -13.371 -3.262 1.00 0.00 O ATOM 387 CB GLU A 26 5.585 -14.791 -5.179 1.00 0.00 C ATOM 388 CG GLU A 26 6.002 -15.997 -4.335 1.00 0.00 C ATOM 389 CD GLU A 26 7.415 -16.457 -4.697 1.00 0.00 C ATOM 390 OE1 GLU A 26 7.653 -16.892 -5.834 1.00 0.00 O ATOM 391 OE2 GLU A 26 8.284 -16.350 -3.749 1.00 0.00 O ATOM 0 H GLU A 26 2.875 -13.817 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 26 3.638 -15.449 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.920 -14.929 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.074 -13.892 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.960 -15.737 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.298 -16.815 -4.490 1.00 0.00 H new ATOM 398 N ALA A 27 3.874 -12.200 -5.092 1.00 0.00 N ATOM 399 CA ALA A 27 3.556 -10.907 -4.510 1.00 0.00 C ATOM 400 C ALA A 27 4.429 -10.680 -3.274 1.00 0.00 C ATOM 401 O ALA A 27 3.918 -10.572 -2.161 1.00 0.00 O ATOM 402 CB ALA A 27 2.062 -10.845 -4.189 1.00 0.00 C ATOM 0 H ALA A 27 4.242 -12.161 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 27 3.771 -10.105 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.824 -9.875 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.487 -10.982 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.809 -11.634 -3.481 1.00 0.00 H new ATOM 408 N PRO A 28 5.765 -10.613 -3.518 1.00 0.00 N ATOM 409 CA PRO A 28 6.713 -10.401 -2.438 1.00 0.00 C ATOM 410 C PRO A 28 6.691 -8.945 -1.967 1.00 0.00 C ATOM 411 O PRO A 28 5.752 -8.208 -2.261 1.00 0.00 O ATOM 412 CB PRO A 28 8.059 -10.820 -3.008 1.00 0.00 C ATOM 413 CG PRO A 28 7.893 -10.810 -4.519 1.00 0.00 C ATOM 414 CD PRO A 28 6.406 -10.736 -4.824 1.00 0.00 C ATOM 0 HA PRO A 28 6.473 -10.983 -1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.846 -10.133 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.342 -11.811 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.415 -9.958 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.328 -11.708 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.174 -9.882 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.065 -11.628 -5.350 1.00 0.00 H new ATOM 422 N PHE A 29 7.738 -8.575 -1.243 1.00 0.00 N ATOM 423 CA PHE A 29 7.850 -7.221 -0.728 1.00 0.00 C ATOM 424 C PHE A 29 8.666 -6.340 -1.677 1.00 0.00 C ATOM 425 O PHE A 29 8.499 -5.121 -1.695 1.00 0.00 O ATOM 426 CB PHE A 29 8.576 -7.312 0.615 1.00 0.00 C ATOM 427 CG PHE A 29 8.809 -5.959 1.290 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.780 -5.323 1.911 1.00 0.00 C ATOM 429 CD2 PHE A 29 10.045 -5.392 1.269 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.995 -4.067 2.537 1.00 0.00 C ATOM 431 CE2 PHE A 29 10.261 -4.136 1.895 1.00 0.00 C ATOM 432 CZ PHE A 29 9.231 -3.500 2.516 1.00 0.00 C ATOM 0 H PHE A 29 8.516 -9.189 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 29 6.859 -6.778 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.998 -7.947 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.538 -7.801 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.799 -5.774 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.862 -5.897 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.177 -3.562 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.243 -3.686 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.395 -2.545 2.992 1.00 0.00 H new ATOM 442 N VAL A 30 9.530 -6.991 -2.441 1.00 0.00 N ATOM 443 CA VAL A 30 10.372 -6.282 -3.390 1.00 0.00 C ATOM 444 C VAL A 30 9.506 -5.337 -4.226 1.00 0.00 C ATOM 445 O VAL A 30 9.825 -4.157 -4.365 1.00 0.00 O ATOM 446 CB VAL A 30 11.159 -7.281 -4.240 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.203 -6.840 -5.704 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.570 -7.481 -3.685 1.00 0.00 C ATOM 0 H VAL A 30 9.666 -8.002 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 30 11.108 -5.672 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 30 10.642 -8.240 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.768 -7.568 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.188 -6.773 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.684 -5.865 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.108 -8.196 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.100 -6.528 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.509 -7.862 -2.665 1.00 0.00 H new ATOM 458 N PRO A 31 8.400 -5.905 -4.775 1.00 0.00 N ATOM 459 CA PRO A 31 7.486 -5.127 -5.594 1.00 0.00 C ATOM 460 C PRO A 31 6.625 -4.204 -4.729 1.00 0.00 C ATOM 461 O PRO A 31 6.065 -3.227 -5.224 1.00 0.00 O ATOM 462 CB PRO A 31 6.670 -6.156 -6.359 1.00 0.00 C ATOM 463 CG PRO A 31 6.833 -7.464 -5.603 1.00 0.00 C ATOM 464 CD PRO A 31 7.990 -7.299 -4.631 1.00 0.00 C ATOM 0 HA PRO A 31 8.003 -4.458 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.621 -5.863 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.025 -6.251 -7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.917 -7.712 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.029 -8.283 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.682 -7.517 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.808 -7.979 -4.870 1.00 0.00 H new ATOM 472 N VAL A 32 6.546 -4.547 -3.451 1.00 0.00 N ATOM 473 CA VAL A 32 5.763 -3.761 -2.513 1.00 0.00 C ATOM 474 C VAL A 32 6.495 -2.451 -2.216 1.00 0.00 C ATOM 475 O VAL A 32 5.870 -1.397 -2.110 1.00 0.00 O ATOM 476 CB VAL A 32 5.475 -4.584 -1.255 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.762 -3.738 -0.198 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.664 -5.837 -1.593 1.00 0.00 C ATOM 0 H VAL A 32 7.011 -5.358 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 32 4.796 -3.502 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 32 6.430 -4.905 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.569 -4.346 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.391 -2.891 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.817 -3.373 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.473 -6.404 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.716 -5.546 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.225 -6.455 -2.294 1.00 0.00 H new ATOM 488 N GLY A 33 7.809 -2.560 -2.089 1.00 0.00 N ATOM 489 CA GLY A 33 8.633 -1.397 -1.806 1.00 0.00 C ATOM 490 C GLY A 33 8.814 -0.536 -3.057 1.00 0.00 C ATOM 491 O GLY A 33 8.596 0.674 -3.019 1.00 0.00 O ATOM 0 H GLY A 33 8.324 -3.436 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.172 -0.804 -1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.607 -1.718 -1.437 1.00 0.00 H new ATOM 495 N ILE A 34 9.211 -1.193 -4.137 1.00 0.00 N ATOM 496 CA ILE A 34 9.423 -0.503 -5.398 1.00 0.00 C ATOM 497 C ILE A 34 8.107 0.129 -5.856 1.00 0.00 C ATOM 498 O ILE A 34 8.022 1.346 -6.018 1.00 0.00 O ATOM 499 CB ILE A 34 10.043 -1.448 -6.428 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.455 -1.866 -6.010 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.020 -0.827 -7.826 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.419 -0.680 -6.072 1.00 0.00 C ATOM 0 H ILE A 34 9.391 -2.197 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 34 10.140 0.308 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 34 9.438 -2.354 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.434 -2.269 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.811 -2.663 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.467 -1.520 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.990 -0.622 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.587 0.104 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.415 -1.004 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.456 -0.294 -7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.074 0.105 -5.399 1.00 0.00 H new ATOM 514 N ALA A 35 7.114 -0.725 -6.053 1.00 0.00 N ATOM 515 CA ALA A 35 5.807 -0.266 -6.489 1.00 0.00 C ATOM 516 C ALA A 35 5.235 0.697 -5.446 1.00 0.00 C ATOM 517 O ALA A 35 4.862 1.823 -5.774 1.00 0.00 O ATOM 518 CB ALA A 35 4.896 -1.471 -6.731 1.00 0.00 C ATOM 0 H ALA A 35 7.189 -1.733 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 35 5.886 0.277 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.915 -1.126 -7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.332 -2.108 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.791 -2.039 -5.807 1.00 0.00 H new ATOM 524 N GLY A 36 5.183 0.219 -4.212 1.00 0.00 N ATOM 525 CA GLY A 36 4.663 1.023 -3.119 1.00 0.00 C ATOM 526 C GLY A 36 5.127 2.476 -3.239 1.00 0.00 C ATOM 527 O GLY A 36 4.321 3.399 -3.130 1.00 0.00 O ATOM 0 H GLY A 36 5.492 -0.715 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.574 0.984 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.996 0.609 -2.167 1.00 0.00 H new ATOM 531 N PHE A 37 6.423 2.634 -3.461 1.00 0.00 N ATOM 532 CA PHE A 37 7.003 3.959 -3.596 1.00 0.00 C ATOM 533 C PHE A 37 6.476 4.663 -4.848 1.00 0.00 C ATOM 534 O PHE A 37 6.093 5.830 -4.794 1.00 0.00 O ATOM 535 CB PHE A 37 8.516 3.774 -3.729 1.00 0.00 C ATOM 536 CG PHE A 37 9.338 4.923 -3.143 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.615 4.952 -1.812 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.791 5.917 -3.953 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.378 6.019 -1.268 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.554 6.985 -3.409 1.00 0.00 C ATOM 541 CZ PHE A 37 10.831 7.013 -2.078 1.00 0.00 C ATOM 0 H PHE A 37 7.088 1.866 -3.551 1.00 0.00 H new ATOM 0 HA PHE A 37 6.742 4.569 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.803 2.846 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.767 3.663 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.255 4.163 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.571 5.895 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.599 6.041 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.914 7.774 -4.052 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.411 7.825 -1.664 1.00 0.00 H new ATOM 551 N ALA A 38 6.474 3.923 -5.948 1.00 0.00 N ATOM 552 CA ALA A 38 6.001 4.462 -7.211 1.00 0.00 C ATOM 553 C ALA A 38 4.573 4.985 -7.035 1.00 0.00 C ATOM 554 O ALA A 38 4.313 6.169 -7.239 1.00 0.00 O ATOM 555 CB ALA A 38 6.097 3.385 -8.294 1.00 0.00 C ATOM 0 H ALA A 38 6.793 2.955 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 38 6.623 5.300 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.742 3.789 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.134 3.068 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.483 2.530 -8.012 1.00 0.00 H new ATOM 561 N ALA A 39 3.687 4.075 -6.658 1.00 0.00 N ATOM 562 CA ALA A 39 2.293 4.430 -6.452 1.00 0.00 C ATOM 563 C ALA A 39 2.206 5.576 -5.442 1.00 0.00 C ATOM 564 O ALA A 39 1.680 6.643 -5.752 1.00 0.00 O ATOM 565 CB ALA A 39 1.513 3.194 -5.999 1.00 0.00 C ATOM 0 H ALA A 39 3.907 3.093 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 39 1.844 4.776 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.467 3.460 -5.844 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.581 2.420 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.934 2.820 -5.066 1.00 0.00 H new ATOM 571 N ILE A 40 2.731 5.315 -4.253 1.00 0.00 N ATOM 572 CA ILE A 40 2.720 6.312 -3.196 1.00 0.00 C ATOM 573 C ILE A 40 3.024 7.687 -3.793 1.00 0.00 C ATOM 574 O ILE A 40 2.294 8.647 -3.553 1.00 0.00 O ATOM 575 CB ILE A 40 3.672 5.907 -2.068 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.075 4.778 -1.225 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.057 7.117 -1.215 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.144 4.124 -0.348 1.00 0.00 C ATOM 0 H ILE A 40 3.166 4.428 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 40 1.731 6.374 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 40 4.589 5.524 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.276 5.172 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.628 4.029 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.734 6.802 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.552 7.860 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.160 7.553 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.693 3.325 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.930 3.710 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.572 4.870 0.321 1.00 0.00 H new ATOM 590 N VAL A 41 4.104 7.738 -4.559 1.00 0.00 N ATOM 591 CA VAL A 41 4.514 8.980 -5.193 1.00 0.00 C ATOM 592 C VAL A 41 3.359 9.523 -6.036 1.00 0.00 C ATOM 593 O VAL A 41 3.042 10.709 -5.971 1.00 0.00 O ATOM 594 CB VAL A 41 5.792 8.756 -6.003 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.035 9.914 -6.974 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.997 8.551 -5.082 1.00 0.00 C ATOM 0 H VAL A 41 4.708 6.939 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 41 4.749 9.733 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 41 5.661 7.847 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.950 9.730 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.194 9.994 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.135 10.844 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.892 8.394 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.131 9.433 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.827 7.680 -4.450 1.00 0.00 H new ATOM 606 N ALA A 42 2.760 8.628 -6.809 1.00 0.00 N ATOM 607 CA ALA A 42 1.647 9.002 -7.664 1.00 0.00 C ATOM 608 C ALA A 42 0.528 9.596 -6.806 1.00 0.00 C ATOM 609 O ALA A 42 0.140 10.748 -6.996 1.00 0.00 O ATOM 610 CB ALA A 42 1.184 7.782 -8.463 1.00 0.00 C ATOM 0 H ALA A 42 3.025 7.644 -6.860 1.00 0.00 H new ATOM 0 HA ALA A 42 1.953 9.764 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.349 8.063 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.007 7.416 -9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.866 6.997 -7.777 1.00 0.00 H new ATOM 616 N TYR A 43 0.040 8.783 -5.880 1.00 0.00 N ATOM 617 CA TYR A 43 -1.026 9.214 -4.993 1.00 0.00 C ATOM 618 C TYR A 43 -0.738 10.605 -4.424 1.00 0.00 C ATOM 619 O TYR A 43 -1.589 11.491 -4.480 1.00 0.00 O ATOM 620 CB TYR A 43 -1.055 8.202 -3.845 1.00 0.00 C ATOM 621 CG TYR A 43 -2.158 7.150 -3.970 1.00 0.00 C ATOM 622 CD1 TYR A 43 -1.916 5.973 -4.649 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.396 7.378 -3.404 1.00 0.00 C ATOM 624 CE1 TYR A 43 -2.955 4.983 -4.767 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.435 6.388 -3.522 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.163 5.239 -4.197 1.00 0.00 C ATOM 627 OH TYR A 43 -5.144 4.304 -4.308 1.00 0.00 O ATOM 0 H TYR A 43 0.364 7.828 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.974 9.265 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.090 7.697 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.184 8.738 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.947 5.794 -5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.585 8.299 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.779 4.058 -5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.408 6.554 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.951 4.621 -3.852 1.00 0.00 H new ATOM 637 N GLY A 44 0.465 10.752 -3.889 1.00 0.00 N ATOM 638 CA GLY A 44 0.876 12.020 -3.310 1.00 0.00 C ATOM 639 C GLY A 44 0.868 13.131 -4.362 1.00 0.00 C ATOM 640 O GLY A 44 0.498 14.267 -4.068 1.00 0.00 O ATOM 0 H GLY A 44 1.168 10.014 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.206 12.284 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.875 11.923 -2.886 1.00 0.00 H new ATOM 644 N LEU A 45 1.282 12.765 -5.566 1.00 0.00 N ATOM 645 CA LEU A 45 1.328 13.716 -6.663 1.00 0.00 C ATOM 646 C LEU A 45 -0.069 14.297 -6.888 1.00 0.00 C ATOM 647 O LEU A 45 -0.225 15.506 -7.049 1.00 0.00 O ATOM 648 CB LEU A 45 1.932 13.067 -7.910 1.00 0.00 C ATOM 649 CG LEU A 45 3.409 13.366 -8.173 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.128 12.135 -8.728 1.00 0.00 C ATOM 651 CD2 LEU A 45 3.568 14.583 -9.087 1.00 0.00 C ATOM 0 H LEU A 45 1.589 11.822 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 45 1.985 14.550 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.809 11.987 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.356 13.389 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 45 3.881 13.613 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.176 12.375 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.060 11.319 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.661 11.833 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.627 14.774 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.076 14.389 -10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.114 15.454 -8.615 1.00 0.00 H new ATOM 663 N TYR A 46 -1.051 13.407 -6.891 1.00 0.00 N ATOM 664 CA TYR A 46 -2.431 13.816 -7.093 1.00 0.00 C ATOM 665 C TYR A 46 -2.938 14.641 -5.908 1.00 0.00 C ATOM 666 O TYR A 46 -3.654 15.624 -6.092 1.00 0.00 O ATOM 667 CB TYR A 46 -3.245 12.524 -7.185 1.00 0.00 C ATOM 668 CG TYR A 46 -3.507 12.054 -8.618 1.00 0.00 C ATOM 669 CD1 TYR A 46 -2.461 11.610 -9.400 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.789 12.075 -9.127 1.00 0.00 C ATOM 671 CE1 TYR A 46 -2.707 11.168 -10.748 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.036 11.633 -10.475 1.00 0.00 C ATOM 673 CZ TYR A 46 -3.983 11.201 -11.219 1.00 0.00 C ATOM 674 OH TYR A 46 -4.216 10.784 -12.493 1.00 0.00 O ATOM 0 H TYR A 46 -0.918 12.405 -6.757 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.521 14.432 -7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.719 11.736 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.200 12.672 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.457 11.594 -9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.608 12.423 -8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.897 10.818 -11.371 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.035 11.644 -10.886 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.172 10.862 -12.693 1.00 0.00 H new ATOM 684 N LYS A 47 -2.546 14.210 -4.718 1.00 0.00 N ATOM 685 CA LYS A 47 -2.951 14.896 -3.503 1.00 0.00 C ATOM 686 C LYS A 47 -2.491 16.354 -3.568 1.00 0.00 C ATOM 687 O LYS A 47 -3.233 17.260 -3.194 1.00 0.00 O ATOM 688 CB LYS A 47 -2.446 14.145 -2.270 1.00 0.00 C ATOM 689 CG LYS A 47 -3.417 14.299 -1.098 1.00 0.00 C ATOM 690 CD LYS A 47 -2.687 14.764 0.163 1.00 0.00 C ATOM 691 CE LYS A 47 -3.644 15.477 1.120 1.00 0.00 C ATOM 692 NZ LYS A 47 -4.077 14.561 2.198 1.00 0.00 N ATOM 0 H LYS A 47 -1.952 13.394 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.037 14.908 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.323 13.089 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.464 14.524 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.195 15.017 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.913 13.348 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.238 13.907 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.873 15.436 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.153 16.349 1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.513 15.839 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.480 15.113 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.797 13.907 1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.259 14.018 2.541 1.00 0.00 H new ATOM 706 N LEU A 48 -1.268 16.534 -4.044 1.00 0.00 N ATOM 707 CA LEU A 48 -0.699 17.866 -4.162 1.00 0.00 C ATOM 708 C LEU A 48 -1.776 18.833 -4.657 1.00 0.00 C ATOM 709 O LEU A 48 -2.170 19.750 -3.937 1.00 0.00 O ATOM 710 CB LEU A 48 0.553 17.838 -5.041 1.00 0.00 C ATOM 711 CG LEU A 48 1.882 18.083 -4.324 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.884 19.444 -3.623 1.00 0.00 C ATOM 713 CD2 LEU A 48 2.203 16.941 -3.358 1.00 0.00 C ATOM 0 H LEU A 48 -0.655 15.780 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.368 18.227 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.603 16.868 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.441 18.589 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 48 2.675 18.104 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.840 19.593 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.734 20.233 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.080 19.476 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.153 17.140 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.413 16.863 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.273 16.005 -3.912 1.00 0.00 H new ATOM 725 N LYS A 49 -2.223 18.596 -5.881 1.00 0.00 N ATOM 726 CA LYS A 49 -3.247 19.435 -6.480 1.00 0.00 C ATOM 727 C LYS A 49 -4.626 18.945 -6.036 1.00 0.00 C ATOM 728 O LYS A 49 -4.922 17.754 -6.120 1.00 0.00 O ATOM 729 CB LYS A 49 -3.074 19.490 -7.999 1.00 0.00 C ATOM 730 CG LYS A 49 -3.483 18.165 -8.646 1.00 0.00 C ATOM 731 CD LYS A 49 -2.722 17.935 -9.953 1.00 0.00 C ATOM 732 CE LYS A 49 -3.016 16.545 -10.521 1.00 0.00 C ATOM 733 NZ LYS A 49 -2.658 16.485 -11.956 1.00 0.00 N ATOM 0 H LYS A 49 -1.895 17.834 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.147 20.464 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.678 20.300 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.035 19.712 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.286 17.344 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.555 18.167 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.003 18.696 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.651 18.041 -9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.453 15.793 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.073 16.310 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.864 15.535 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.214 17.189 -12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.644 16.689 -12.070 1.00 0.00 H new ATOM 747 N SER A 50 -5.433 19.888 -5.572 1.00 0.00 N ATOM 748 CA SER A 50 -6.774 19.567 -5.115 1.00 0.00 C ATOM 749 C SER A 50 -7.668 19.228 -6.309 1.00 0.00 C ATOM 750 O SER A 50 -7.727 19.984 -7.278 1.00 0.00 O ATOM 751 CB SER A 50 -7.374 20.724 -4.313 1.00 0.00 C ATOM 752 OG SER A 50 -7.912 21.737 -5.159 1.00 0.00 O ATOM 0 H SER A 50 -5.184 20.875 -5.503 1.00 0.00 H new ATOM 0 HA SER A 50 -6.713 18.699 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.159 20.343 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.606 21.157 -3.672 1.00 0.00 H new ATOM 0 HG SER A 50 -8.287 22.457 -4.610 1.00 0.00 H new ATOM 758 N ARG A 51 -8.341 18.092 -6.201 1.00 0.00 N ATOM 759 CA ARG A 51 -9.229 17.645 -7.260 1.00 0.00 C ATOM 760 C ARG A 51 -9.884 16.316 -6.878 1.00 0.00 C ATOM 761 O ARG A 51 -9.194 15.322 -6.653 1.00 0.00 O ATOM 762 CB ARG A 51 -8.471 17.472 -8.578 1.00 0.00 C ATOM 763 CG ARG A 51 -9.440 17.305 -9.750 1.00 0.00 C ATOM 764 CD ARG A 51 -8.700 16.864 -11.015 1.00 0.00 C ATOM 765 NE ARG A 51 -9.598 16.963 -12.187 1.00 0.00 N ATOM 766 CZ ARG A 51 -9.223 16.682 -13.453 1.00 0.00 C ATOM 767 NH1 ARG A 51 -7.963 16.281 -13.722 1.00 0.00 N ATOM 768 NH2 ARG A 51 -10.108 16.806 -14.425 1.00 0.00 N ATOM 0 H ARG A 51 -8.289 17.468 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.997 18.407 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.832 18.338 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.818 16.602 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.202 16.568 -9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.957 18.246 -9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.819 17.488 -11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.348 15.839 -10.902 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.560 17.262 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.285 16.188 -12.966 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.689 16.071 -14.682 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.058 17.110 -14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.841 16.598 -15.387 1.00 0.00 H new ATOM 782 N GLY A 52 -11.207 16.340 -6.817 1.00 0.00 N ATOM 783 CA GLY A 52 -11.962 15.150 -6.466 1.00 0.00 C ATOM 784 C GLY A 52 -12.654 15.319 -5.112 1.00 0.00 C ATOM 785 O GLY A 52 -12.571 16.380 -4.496 1.00 0.00 O ATOM 0 H GLY A 52 -11.776 17.166 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.706 14.947 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.295 14.289 -6.432 1.00 0.00 H new ATOM 789 N ASN A 53 -13.320 14.255 -4.687 1.00 0.00 N ATOM 790 CA ASN A 53 -14.025 14.272 -3.417 1.00 0.00 C ATOM 791 C ASN A 53 -13.271 13.405 -2.407 1.00 0.00 C ATOM 792 O ASN A 53 -12.958 13.856 -1.307 1.00 0.00 O ATOM 793 CB ASN A 53 -15.439 13.706 -3.564 1.00 0.00 C ATOM 794 CG ASN A 53 -16.357 14.229 -2.457 1.00 0.00 C ATOM 795 OD1 ASN A 53 -17.139 15.146 -2.646 1.00 0.00 O ATOM 796 ND2 ASN A 53 -16.220 13.596 -1.296 1.00 0.00 N ATOM 0 H ASN A 53 -13.386 13.376 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.084 15.306 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.845 13.980 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.404 12.617 -3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.789 13.870 -0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.546 12.836 -1.206 1.00 0.00 H new ATOM 803 N THR A 54 -13.000 12.174 -2.819 1.00 0.00 N ATOM 804 CA THR A 54 -12.288 11.239 -1.964 1.00 0.00 C ATOM 805 C THR A 54 -11.014 11.884 -1.414 1.00 0.00 C ATOM 806 O THR A 54 -10.325 12.612 -2.126 1.00 0.00 O ATOM 807 CB THR A 54 -12.026 9.967 -2.772 1.00 0.00 C ATOM 808 OG1 THR A 54 -13.312 9.367 -2.902 1.00 0.00 O ATOM 809 CG2 THR A 54 -11.210 8.935 -1.990 1.00 0.00 C ATOM 0 H THR A 54 -13.261 11.803 -3.733 1.00 0.00 H new ATOM 0 HA THR A 54 -12.881 10.970 -1.090 1.00 0.00 H new ATOM 0 HB THR A 54 -11.501 10.223 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.235 8.536 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.052 8.052 -2.609 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.246 9.364 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.750 8.653 -1.086 1.00 0.00 H new ATOM 817 N LYS A 55 -10.740 11.592 -0.151 1.00 0.00 N ATOM 818 CA LYS A 55 -9.561 12.134 0.503 1.00 0.00 C ATOM 819 C LYS A 55 -9.701 13.653 0.620 1.00 0.00 C ATOM 820 O LYS A 55 -9.781 14.352 -0.389 1.00 0.00 O ATOM 821 CB LYS A 55 -8.292 11.687 -0.225 1.00 0.00 C ATOM 822 CG LYS A 55 -7.189 11.318 0.770 1.00 0.00 C ATOM 823 CD LYS A 55 -6.698 9.888 0.538 1.00 0.00 C ATOM 824 CE LYS A 55 -7.762 8.869 0.952 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.126 7.632 1.457 1.00 0.00 N ATOM 0 H LYS A 55 -11.314 10.987 0.437 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.473 11.743 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.516 10.830 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.944 12.486 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.356 12.013 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.565 11.417 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.449 9.752 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.784 9.717 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.403 9.296 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.401 8.635 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.862 6.951 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.533 7.217 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.535 7.858 2.283 1.00 0.00 H new ATOM 839 N MET A 56 -9.726 14.119 1.860 1.00 0.00 N ATOM 840 CA MET A 56 -9.854 15.542 2.122 1.00 0.00 C ATOM 841 C MET A 56 -9.187 15.918 3.447 1.00 0.00 C ATOM 842 O MET A 56 -9.827 16.487 4.329 1.00 0.00 O ATOM 843 CB MET A 56 -11.336 15.920 2.172 1.00 0.00 C ATOM 844 CG MET A 56 -12.043 15.217 3.332 1.00 0.00 C ATOM 845 SD MET A 56 -13.526 14.413 2.747 1.00 0.00 S ATOM 846 CE MET A 56 -14.708 15.049 3.923 1.00 0.00 C ATOM 0 H MET A 56 -9.660 13.536 2.694 1.00 0.00 H new ATOM 0 HA MET A 56 -9.357 16.086 1.319 1.00 0.00 H new ATOM 0 HB2 MET A 56 -11.436 17.000 2.282 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.816 15.649 1.231 1.00 0.00 H new ATOM 0 HG2 MET A 56 -11.376 14.483 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.294 15.940 4.108 1.00 0.00 H new ATOM 0 HE1 MET A 56 -15.696 14.644 3.701 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.413 14.755 4.930 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.738 16.137 3.856 1.00 0.00 H new ATOM 856 N SER A 57 -7.908 15.585 3.543 1.00 0.00 N ATOM 857 CA SER A 57 -7.147 15.881 4.745 1.00 0.00 C ATOM 858 C SER A 57 -7.755 15.150 5.943 1.00 0.00 C ATOM 859 O SER A 57 -8.971 14.980 6.019 1.00 0.00 O ATOM 860 CB SER A 57 -7.099 17.387 5.010 1.00 0.00 C ATOM 861 OG SER A 57 -5.835 17.950 4.668 1.00 0.00 O ATOM 0 H SER A 57 -7.380 15.113 2.809 1.00 0.00 H new ATOM 0 HA SER A 57 -6.125 15.533 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.883 17.881 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.307 17.577 6.063 1.00 0.00 H new ATOM 0 HG SER A 57 -5.894 18.928 4.697 1.00 0.00 H new ATOM 867 N ILE A 58 -6.882 14.738 6.850 1.00 0.00 N ATOM 868 CA ILE A 58 -7.318 14.029 8.042 1.00 0.00 C ATOM 869 C ILE A 58 -6.500 14.508 9.243 1.00 0.00 C ATOM 870 O ILE A 58 -7.032 15.160 10.140 1.00 0.00 O ATOM 871 CB ILE A 58 -7.256 12.517 7.818 1.00 0.00 C ATOM 872 CG1 ILE A 58 -8.234 12.083 6.725 1.00 0.00 C ATOM 873 CG2 ILE A 58 -7.486 11.759 9.128 1.00 0.00 C ATOM 874 CD1 ILE A 58 -7.526 11.954 5.375 1.00 0.00 C ATOM 0 H ILE A 58 -5.874 14.881 6.784 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.363 14.253 8.258 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.254 12.264 7.471 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.686 11.129 6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.043 12.809 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.437 10.686 8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.717 12.037 9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.468 12.013 9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.244 11.644 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.096 12.916 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.733 11.210 5.450 1.00 0.00 H new ATOM 886 N HIS A 59 -5.221 14.166 9.221 1.00 0.00 N ATOM 887 CA HIS A 59 -4.324 14.553 10.297 1.00 0.00 C ATOM 888 C HIS A 59 -2.909 14.735 9.746 1.00 0.00 C ATOM 889 O HIS A 59 -2.014 13.948 10.051 1.00 0.00 O ATOM 890 CB HIS A 59 -4.388 13.544 11.446 1.00 0.00 C ATOM 891 CG HIS A 59 -5.407 13.885 12.507 1.00 0.00 C ATOM 892 ND1 HIS A 59 -6.197 12.930 13.122 1.00 0.00 N ATOM 893 CD2 HIS A 59 -5.757 15.085 13.054 1.00 0.00 C ATOM 894 CE1 HIS A 59 -6.983 13.538 13.998 1.00 0.00 C ATOM 895 NE2 HIS A 59 -6.709 14.873 13.954 1.00 0.00 N ATOM 0 H HIS A 59 -4.784 13.625 8.475 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.640 15.510 10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.618 12.559 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.404 13.475 11.910 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.332 16.044 12.798 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.713 13.060 14.635 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.161 15.591 14.520 1.00 0.00 H new ATOM 903 N LEU A 60 -2.750 15.777 8.943 1.00 0.00 N ATOM 904 CA LEU A 60 -1.459 16.073 8.347 1.00 0.00 C ATOM 905 C LEU A 60 -1.521 17.437 7.656 1.00 0.00 C ATOM 906 O LEU A 60 -2.199 17.593 6.642 1.00 0.00 O ATOM 907 CB LEU A 60 -1.023 14.934 7.421 1.00 0.00 C ATOM 908 CG LEU A 60 -1.948 14.641 6.238 1.00 0.00 C ATOM 909 CD1 LEU A 60 -1.253 14.946 4.910 1.00 0.00 C ATOM 910 CD2 LEU A 60 -2.471 13.204 6.295 1.00 0.00 C ATOM 0 H LEU A 60 -3.495 16.427 8.691 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.690 16.140 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.032 15.167 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.927 14.025 8.015 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.812 15.302 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.932 14.729 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.971 15.998 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.360 14.328 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.126 13.021 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.631 12.510 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.029 13.056 7.220 1.00 0.00 H new ATOM 922 N ILE A 61 -0.804 18.390 8.234 1.00 0.00 N ATOM 923 CA ILE A 61 -0.769 19.735 7.687 1.00 0.00 C ATOM 924 C ILE A 61 0.619 20.338 7.915 1.00 0.00 C ATOM 925 O ILE A 61 0.834 21.059 8.888 1.00 0.00 O ATOM 926 CB ILE A 61 -1.908 20.578 8.265 1.00 0.00 C ATOM 927 CG1 ILE A 61 -3.267 20.067 7.782 1.00 0.00 C ATOM 928 CG2 ILE A 61 -1.707 22.061 7.948 1.00 0.00 C ATOM 929 CD1 ILE A 61 -3.436 20.294 6.279 1.00 0.00 C ATOM 0 H ILE A 61 -0.243 18.257 9.075 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.934 19.713 6.610 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.893 20.476 9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.360 19.004 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.064 20.577 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.530 22.638 8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.766 22.401 8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.682 22.202 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.410 19.922 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.367 21.360 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.652 19.762 5.740 1.00 0.00 H new ATOM 941 N HIS A 62 1.524 20.020 7.001 1.00 0.00 N ATOM 942 CA HIS A 62 2.885 20.521 7.091 1.00 0.00 C ATOM 943 C HIS A 62 3.672 20.094 5.850 1.00 0.00 C ATOM 944 O HIS A 62 4.167 20.937 5.104 1.00 0.00 O ATOM 945 CB HIS A 62 3.546 20.071 8.395 1.00 0.00 C ATOM 946 CG HIS A 62 5.032 20.333 8.454 1.00 0.00 C ATOM 947 ND1 HIS A 62 5.951 19.362 8.813 1.00 0.00 N ATOM 948 CD2 HIS A 62 5.748 21.464 8.194 1.00 0.00 C ATOM 949 CE1 HIS A 62 7.162 19.896 8.769 1.00 0.00 C ATOM 950 NE2 HIS A 62 7.034 21.199 8.386 1.00 0.00 N ATOM 0 H HIS A 62 1.342 19.422 6.195 1.00 0.00 H new ATOM 0 HA HIS A 62 2.873 21.611 7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.064 20.581 9.229 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.370 19.004 8.530 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.338 22.414 7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.088 19.389 8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 62 7.801 21.861 8.267 1.00 0.00 H new ATOM 958 N MET A 63 3.762 18.785 5.667 1.00 0.00 N ATOM 959 CA MET A 63 4.479 18.235 4.530 1.00 0.00 C ATOM 960 C MET A 63 3.956 16.843 4.172 1.00 0.00 C ATOM 961 O MET A 63 3.754 16.007 5.051 1.00 0.00 O ATOM 962 CB MET A 63 5.971 18.151 4.859 1.00 0.00 C ATOM 963 CG MET A 63 6.766 19.195 4.073 1.00 0.00 C ATOM 964 SD MET A 63 7.129 20.598 5.116 1.00 0.00 S ATOM 965 CE MET A 63 8.838 20.262 5.504 1.00 0.00 C ATOM 0 H MET A 63 3.350 18.089 6.288 1.00 0.00 H new ATOM 0 HA MET A 63 4.323 18.892 3.674 1.00 0.00 H new ATOM 0 HB2 MET A 63 6.120 18.304 5.928 1.00 0.00 H new ATOM 0 HB3 MET A 63 6.343 17.154 4.625 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.693 18.756 3.704 1.00 0.00 H new ATOM 0 HG3 MET A 63 6.197 19.517 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 63 9.225 21.047 6.153 1.00 0.00 H new ATOM 0 HE2 MET A 63 8.913 19.301 6.013 1.00 0.00 H new ATOM 0 HE3 MET A 63 9.421 20.232 4.584 1.00 0.00 H new ATOM 975 N ARG A 64 3.752 16.637 2.879 1.00 0.00 N ATOM 976 CA ARG A 64 3.256 15.360 2.394 1.00 0.00 C ATOM 977 C ARG A 64 4.305 14.267 2.609 1.00 0.00 C ATOM 978 O ARG A 64 4.040 13.272 3.282 1.00 0.00 O ATOM 979 CB ARG A 64 2.905 15.435 0.906 1.00 0.00 C ATOM 980 CG ARG A 64 1.390 15.382 0.697 1.00 0.00 C ATOM 981 CD ARG A 64 0.854 16.736 0.226 1.00 0.00 C ATOM 982 NE ARG A 64 1.127 17.771 1.247 1.00 0.00 N ATOM 983 CZ ARG A 64 2.159 18.639 1.188 1.00 0.00 C ATOM 984 NH1 ARG A 64 3.027 18.603 0.155 1.00 0.00 N ATOM 985 NH2 ARG A 64 2.308 19.524 2.157 1.00 0.00 N ATOM 0 H ARG A 64 3.921 17.333 2.153 1.00 0.00 H new ATOM 0 HA ARG A 64 2.354 15.119 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.302 16.357 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.378 14.609 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.147 14.615 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.900 15.097 1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.322 17.013 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.218 16.668 0.043 1.00 0.00 H new ATOM 0 HE ARG A 64 0.496 17.833 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.906 17.916 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.804 19.263 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.648 19.544 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.083 20.187 2.128 1.00 0.00 H new ATOM 999 N VAL A 65 5.473 14.489 2.024 1.00 0.00 N ATOM 1000 CA VAL A 65 6.562 13.535 2.144 1.00 0.00 C ATOM 1001 C VAL A 65 6.619 13.009 3.579 1.00 0.00 C ATOM 1002 O VAL A 65 6.606 11.799 3.802 1.00 0.00 O ATOM 1003 CB VAL A 65 7.874 14.180 1.691 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.060 13.248 1.948 1.00 0.00 C ATOM 1005 CG2 VAL A 65 7.805 14.586 0.218 1.00 0.00 C ATOM 0 H VAL A 65 5.689 15.315 1.466 1.00 0.00 H new ATOM 0 HA VAL A 65 6.393 12.679 1.491 1.00 0.00 H new ATOM 0 HB VAL A 65 8.024 15.084 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.980 13.730 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.127 13.030 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.919 12.319 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.750 15.042 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.620 13.703 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.996 15.303 0.076 1.00 0.00 H new ATOM 1015 N ALA A 66 6.681 13.944 4.516 1.00 0.00 N ATOM 1016 CA ALA A 66 6.740 13.590 5.924 1.00 0.00 C ATOM 1017 C ALA A 66 5.639 12.574 6.236 1.00 0.00 C ATOM 1018 O ALA A 66 5.924 11.461 6.677 1.00 0.00 O ATOM 1019 CB ALA A 66 6.622 14.856 6.775 1.00 0.00 C ATOM 0 H ALA A 66 6.692 14.946 4.327 1.00 0.00 H new ATOM 0 HA ALA A 66 7.696 13.125 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.666 14.590 7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.443 15.533 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.673 15.349 6.564 1.00 0.00 H new ATOM 1025 N ALA A 67 4.406 12.993 5.996 1.00 0.00 N ATOM 1026 CA ALA A 67 3.261 12.133 6.246 1.00 0.00 C ATOM 1027 C ALA A 67 3.482 10.784 5.558 1.00 0.00 C ATOM 1028 O ALA A 67 2.999 9.756 6.030 1.00 0.00 O ATOM 1029 CB ALA A 67 1.985 12.829 5.768 1.00 0.00 C ATOM 0 H ALA A 67 4.174 13.917 5.631 1.00 0.00 H new ATOM 0 HA ALA A 67 3.149 11.944 7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.127 12.184 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.858 13.768 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.060 13.032 4.700 1.00 0.00 H new ATOM 1035 N GLN A 68 4.212 10.832 4.453 1.00 0.00 N ATOM 1036 CA GLN A 68 4.502 9.627 3.696 1.00 0.00 C ATOM 1037 C GLN A 68 5.418 8.702 4.500 1.00 0.00 C ATOM 1038 O GLN A 68 5.226 7.487 4.510 1.00 0.00 O ATOM 1039 CB GLN A 68 5.123 9.968 2.339 1.00 0.00 C ATOM 1040 CG GLN A 68 4.676 8.973 1.267 1.00 0.00 C ATOM 1041 CD GLN A 68 4.578 9.649 -0.102 1.00 0.00 C ATOM 1042 OE1 GLN A 68 3.507 9.972 -0.589 1.00 0.00 O ATOM 1043 NE2 GLN A 68 5.753 9.845 -0.694 1.00 0.00 N ATOM 0 H GLN A 68 4.611 11.687 4.064 1.00 0.00 H new ATOM 0 HA GLN A 68 3.564 9.105 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.835 10.978 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.210 9.958 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.382 8.144 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.708 8.551 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.613 9.550 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.794 10.290 -1.611 1.00 0.00 H new ATOM 1052 N GLY A 69 6.394 9.312 5.156 1.00 0.00 N ATOM 1053 CA GLY A 69 7.340 8.559 5.961 1.00 0.00 C ATOM 1054 C GLY A 69 6.650 7.931 7.174 1.00 0.00 C ATOM 1055 O GLY A 69 6.896 6.771 7.502 1.00 0.00 O ATOM 0 H GLY A 69 6.550 10.320 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.799 7.778 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.143 9.216 6.295 1.00 0.00 H new ATOM 1059 N PHE A 70 5.799 8.725 7.807 1.00 0.00 N ATOM 1060 CA PHE A 70 5.071 8.262 8.976 1.00 0.00 C ATOM 1061 C PHE A 70 4.195 7.055 8.634 1.00 0.00 C ATOM 1062 O PHE A 70 4.342 5.988 9.228 1.00 0.00 O ATOM 1063 CB PHE A 70 4.174 9.415 9.431 1.00 0.00 C ATOM 1064 CG PHE A 70 3.995 9.503 10.947 1.00 0.00 C ATOM 1065 CD1 PHE A 70 3.503 8.439 11.637 1.00 0.00 C ATOM 1066 CD2 PHE A 70 4.327 10.645 11.606 1.00 0.00 C ATOM 1067 CE1 PHE A 70 3.336 8.520 13.045 1.00 0.00 C ATOM 1068 CE2 PHE A 70 4.161 10.727 13.014 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.669 9.663 13.704 1.00 0.00 C ATOM 0 H PHE A 70 5.597 9.686 7.532 1.00 0.00 H new ATOM 0 HA PHE A 70 5.772 7.960 9.754 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.595 10.353 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.194 9.305 8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.239 7.532 11.114 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.717 11.490 11.058 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.945 7.675 13.592 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.425 11.634 13.537 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.543 9.725 14.775 1.00 0.00 H new ATOM 1079 N VAL A 71 3.303 7.263 7.677 1.00 0.00 N ATOM 1080 CA VAL A 71 2.403 6.206 7.248 1.00 0.00 C ATOM 1081 C VAL A 71 3.224 4.998 6.792 1.00 0.00 C ATOM 1082 O VAL A 71 2.847 3.855 7.045 1.00 0.00 O ATOM 1083 CB VAL A 71 1.458 6.730 6.166 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.666 5.586 5.528 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.519 7.799 6.728 1.00 0.00 C ATOM 0 H VAL A 71 3.184 8.149 7.186 1.00 0.00 H new ATOM 0 HA VAL A 71 1.775 5.879 8.077 1.00 0.00 H new ATOM 0 HB VAL A 71 2.065 7.193 5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.002 5.986 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.356 4.875 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.076 5.081 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.142 8.154 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.077 7.372 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.106 8.633 7.112 1.00 0.00 H new ATOM 1095 N VAL A 72 4.332 5.293 6.127 1.00 0.00 N ATOM 1096 CA VAL A 72 5.209 4.245 5.633 1.00 0.00 C ATOM 1097 C VAL A 72 5.633 3.349 6.798 1.00 0.00 C ATOM 1098 O VAL A 72 5.496 2.129 6.729 1.00 0.00 O ATOM 1099 CB VAL A 72 6.396 4.863 4.891 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.600 3.919 4.901 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.010 5.246 3.461 1.00 0.00 C ATOM 0 H VAL A 72 4.642 6.242 5.919 1.00 0.00 H new ATOM 0 HA VAL A 72 4.685 3.616 4.914 1.00 0.00 H new ATOM 0 HB VAL A 72 6.681 5.775 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.430 4.382 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.897 3.719 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.332 2.982 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.872 5.683 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.686 4.356 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.197 5.972 3.486 1.00 0.00 H new ATOM 1111 N GLY A 73 6.139 3.990 7.842 1.00 0.00 N ATOM 1112 CA GLY A 73 6.584 3.266 9.020 1.00 0.00 C ATOM 1113 C GLY A 73 5.455 2.407 9.595 1.00 0.00 C ATOM 1114 O GLY A 73 5.646 1.221 9.860 1.00 0.00 O ATOM 0 H GLY A 73 6.250 5.002 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.433 2.632 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.930 3.971 9.776 1.00 0.00 H new ATOM 1118 N ALA A 74 4.304 3.040 9.770 1.00 0.00 N ATOM 1119 CA ALA A 74 3.145 2.349 10.308 1.00 0.00 C ATOM 1120 C ALA A 74 2.802 1.160 9.409 1.00 0.00 C ATOM 1121 O ALA A 74 2.420 0.097 9.897 1.00 0.00 O ATOM 1122 CB ALA A 74 1.981 3.333 10.443 1.00 0.00 C ATOM 0 H ALA A 74 4.150 4.024 9.549 1.00 0.00 H new ATOM 0 HA ALA A 74 3.359 1.959 11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.111 2.815 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.265 4.143 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.736 3.744 9.463 1.00 0.00 H new ATOM 1128 N MET A 75 2.951 1.378 8.111 1.00 0.00 N ATOM 1129 CA MET A 75 2.663 0.338 7.139 1.00 0.00 C ATOM 1130 C MET A 75 3.705 -0.780 7.206 1.00 0.00 C ATOM 1131 O MET A 75 3.382 -1.948 6.995 1.00 0.00 O ATOM 1132 CB MET A 75 2.651 0.941 5.733 1.00 0.00 C ATOM 1133 CG MET A 75 1.776 0.115 4.788 1.00 0.00 C ATOM 1134 SD MET A 75 2.546 0.003 3.182 1.00 0.00 S ATOM 1135 CE MET A 75 1.164 -0.579 2.215 1.00 0.00 C ATOM 0 H MET A 75 3.268 2.261 7.710 1.00 0.00 H new ATOM 0 HA MET A 75 1.686 -0.087 7.370 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.280 1.965 5.776 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.668 0.987 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.626 -0.884 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.791 0.574 4.697 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.473 -0.704 1.177 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.821 -1.536 2.609 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.352 0.147 2.267 1.00 0.00 H new ATOM 1145 N THR A 76 4.934 -0.383 7.501 1.00 0.00 N ATOM 1146 CA THR A 76 6.026 -1.337 7.598 1.00 0.00 C ATOM 1147 C THR A 76 5.771 -2.324 8.739 1.00 0.00 C ATOM 1148 O THR A 76 5.768 -3.535 8.527 1.00 0.00 O ATOM 1149 CB THR A 76 7.329 -0.550 7.755 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.538 0.035 6.473 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.542 -1.460 7.952 1.00 0.00 C ATOM 0 H THR A 76 5.198 0.587 7.676 1.00 0.00 H new ATOM 0 HA THR A 76 6.103 -1.944 6.696 1.00 0.00 H new ATOM 0 HB THR A 76 7.243 0.129 8.604 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.923 0.788 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.440 -0.851 8.058 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.403 -2.062 8.850 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.649 -2.116 7.088 1.00 0.00 H new ATOM 1159 N VAL A 77 5.563 -1.769 9.924 1.00 0.00 N ATOM 1160 CA VAL A 77 5.308 -2.585 11.099 1.00 0.00 C ATOM 1161 C VAL A 77 4.019 -3.382 10.890 1.00 0.00 C ATOM 1162 O VAL A 77 3.995 -4.595 11.092 1.00 0.00 O ATOM 1163 CB VAL A 77 5.271 -1.705 12.350 1.00 0.00 C ATOM 1164 CG1 VAL A 77 6.619 -1.015 12.575 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.138 -0.680 12.266 1.00 0.00 C ATOM 0 H VAL A 77 5.566 -0.764 10.096 1.00 0.00 H new ATOM 0 HA VAL A 77 6.114 -3.303 11.248 1.00 0.00 H new ATOM 0 HB VAL A 77 5.077 -2.349 13.207 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.566 -0.396 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.397 -1.768 12.701 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.856 -0.389 11.714 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.134 -0.067 13.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.288 -0.042 11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.184 -1.199 12.176 1.00 0.00 H new ATOM 1175 N GLY A 78 2.977 -2.667 10.490 1.00 0.00 N ATOM 1176 CA GLY A 78 1.688 -3.293 10.252 1.00 0.00 C ATOM 1177 C GLY A 78 1.822 -4.481 9.297 1.00 0.00 C ATOM 1178 O GLY A 78 1.279 -5.554 9.556 1.00 0.00 O ATOM 0 H GLY A 78 3.000 -1.661 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.263 -3.629 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.997 -2.562 9.833 1.00 0.00 H new ATOM 1182 N MET A 79 2.548 -4.249 8.214 1.00 0.00 N ATOM 1183 CA MET A 79 2.761 -5.286 7.219 1.00 0.00 C ATOM 1184 C MET A 79 3.568 -6.448 7.802 1.00 0.00 C ATOM 1185 O MET A 79 3.182 -7.607 7.664 1.00 0.00 O ATOM 1186 CB MET A 79 3.506 -4.698 6.019 1.00 0.00 C ATOM 1187 CG MET A 79 3.441 -5.643 4.817 1.00 0.00 C ATOM 1188 SD MET A 79 4.751 -6.852 4.920 1.00 0.00 S ATOM 1189 CE MET A 79 4.143 -8.067 3.762 1.00 0.00 C ATOM 0 H MET A 79 2.997 -3.357 8.003 1.00 0.00 H new ATOM 0 HA MET A 79 1.789 -5.665 6.904 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.071 -3.735 5.753 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.547 -4.515 6.286 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.473 -6.144 4.790 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.531 -5.074 3.891 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.846 -8.898 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.173 -8.435 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.038 -7.611 2.778 1.00 0.00 H new ATOM 1199 N GLY A 80 4.674 -6.095 8.441 1.00 0.00 N ATOM 1200 CA GLY A 80 5.539 -7.094 9.046 1.00 0.00 C ATOM 1201 C GLY A 80 4.735 -8.061 9.917 1.00 0.00 C ATOM 1202 O GLY A 80 4.995 -9.263 9.919 1.00 0.00 O ATOM 0 H GLY A 80 4.991 -5.132 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.060 -7.649 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.301 -6.602 9.651 1.00 0.00 H new ATOM 1206 N TYR A 81 3.775 -7.500 10.637 1.00 0.00 N ATOM 1207 CA TYR A 81 2.931 -8.297 11.510 1.00 0.00 C ATOM 1208 C TYR A 81 1.729 -8.859 10.749 1.00 0.00 C ATOM 1209 O TYR A 81 1.107 -9.825 11.188 1.00 0.00 O ATOM 1210 CB TYR A 81 2.430 -7.344 12.598 1.00 0.00 C ATOM 1211 CG TYR A 81 2.739 -7.809 14.023 1.00 0.00 C ATOM 1212 CD1 TYR A 81 4.030 -7.742 14.506 1.00 0.00 C ATOM 1213 CD2 TYR A 81 1.726 -8.296 14.824 1.00 0.00 C ATOM 1214 CE1 TYR A 81 4.320 -8.180 15.847 1.00 0.00 C ATOM 1215 CE2 TYR A 81 2.016 -8.734 16.165 1.00 0.00 C ATOM 1216 CZ TYR A 81 3.299 -8.654 16.610 1.00 0.00 C ATOM 1217 OH TYR A 81 3.573 -9.067 17.877 1.00 0.00 O ATOM 0 H TYR A 81 3.563 -6.502 10.634 1.00 0.00 H new ATOM 0 HA TYR A 81 3.489 -9.140 11.917 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.878 -6.363 12.442 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.352 -7.223 12.492 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.822 -7.361 13.879 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.716 -8.349 14.445 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.326 -8.133 16.238 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.233 -9.117 16.803 1.00 0.00 H new ATOM 0 HH TYR A 81 2.748 -9.379 18.305 1.00 0.00 H new ATOM 1227 N SER A 82 1.437 -8.229 9.620 1.00 0.00 N ATOM 1228 CA SER A 82 0.321 -8.654 8.793 1.00 0.00 C ATOM 1229 C SER A 82 -0.855 -9.076 9.677 1.00 0.00 C ATOM 1230 O SER A 82 -0.989 -10.250 10.018 1.00 0.00 O ATOM 1231 CB SER A 82 0.727 -9.801 7.866 1.00 0.00 C ATOM 1232 OG SER A 82 0.706 -9.414 6.495 1.00 0.00 O ATOM 0 H SER A 82 1.954 -7.427 9.259 1.00 0.00 H new ATOM 0 HA SER A 82 0.016 -7.812 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.727 -10.144 8.130 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.052 -10.644 8.015 1.00 0.00 H new ATOM 0 HG SER A 82 0.973 -10.174 5.937 1.00 0.00 H new ATOM 1238 N MET A 83 -1.676 -8.096 10.023 1.00 0.00 N ATOM 1239 CA MET A 83 -2.835 -8.351 10.861 1.00 0.00 C ATOM 1240 C MET A 83 -2.413 -8.863 12.239 1.00 0.00 C ATOM 1241 O MET A 83 -1.850 -9.950 12.356 1.00 0.00 O ATOM 1242 CB MET A 83 -3.736 -9.387 10.185 1.00 0.00 C ATOM 1243 CG MET A 83 -5.212 -9.019 10.346 1.00 0.00 C ATOM 1244 SD MET A 83 -6.033 -9.076 8.762 1.00 0.00 S ATOM 1245 CE MET A 83 -5.939 -7.354 8.302 1.00 0.00 C ATOM 0 H MET A 83 -1.562 -7.123 9.738 1.00 0.00 H new ATOM 0 HA MET A 83 -3.378 -7.415 10.993 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.488 -9.454 9.126 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.554 -10.371 10.618 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.694 -9.709 11.039 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.302 -8.021 10.775 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.409 -7.211 7.329 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.456 -6.750 9.047 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.894 -7.048 8.248 1.00 0.00 H new ATOM 1255 N TYR A 84 -2.703 -8.056 13.249 1.00 0.00 N ATOM 1256 CA TYR A 84 -2.360 -8.413 14.615 1.00 0.00 C ATOM 1257 C TYR A 84 -2.674 -9.885 14.892 1.00 0.00 C ATOM 1258 O TYR A 84 -1.834 -10.614 15.418 1.00 0.00 O ATOM 1259 CB TYR A 84 -3.239 -7.540 15.513 1.00 0.00 C ATOM 1260 CG TYR A 84 -2.494 -6.377 16.171 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -1.915 -5.397 15.390 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -2.400 -6.308 17.546 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -1.213 -4.303 16.010 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -1.699 -5.213 18.166 1.00 0.00 C ATOM 1265 CZ TYR A 84 -1.140 -4.265 17.367 1.00 0.00 C ATOM 1266 OH TYR A 84 -0.478 -3.231 17.952 1.00 0.00 O ATOM 0 H TYR A 84 -3.172 -7.156 13.149 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.296 -8.260 14.795 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.063 -7.142 14.921 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.678 -8.164 16.292 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.988 -5.451 14.314 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.852 -7.075 18.157 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.755 -3.530 15.410 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.619 -5.146 19.241 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.507 -3.333 18.926 1.00 0.00 H new ATOM 1276 N ARG A 85 -3.885 -10.278 14.525 1.00 0.00 N ATOM 1277 CA ARG A 85 -4.320 -11.650 14.726 1.00 0.00 C ATOM 1278 C ARG A 85 -4.010 -12.492 13.488 1.00 0.00 C ATOM 1279 O ARG A 85 -4.893 -12.749 12.671 1.00 0.00 O ATOM 1280 CB ARG A 85 -5.821 -11.714 15.017 1.00 0.00 C ATOM 1281 CG ARG A 85 -6.128 -11.211 16.428 1.00 0.00 C ATOM 1282 CD ARG A 85 -7.561 -10.681 16.521 1.00 0.00 C ATOM 1283 NE ARG A 85 -7.586 -9.427 17.308 1.00 0.00 N ATOM 1284 CZ ARG A 85 -7.050 -8.261 16.890 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -6.440 -8.178 15.689 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -7.131 -7.202 17.675 1.00 0.00 N ATOM 0 H ARG A 85 -4.579 -9.670 14.090 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.778 -12.048 15.584 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.362 -11.112 14.287 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.173 -12.740 14.908 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.988 -12.020 17.145 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.426 -10.422 16.697 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.957 -10.501 15.521 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.204 -11.427 16.989 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.036 -9.446 18.223 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.381 -9.001 15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.038 -7.293 15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.593 -7.273 18.581 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.731 -6.313 17.375 1.00 0.00 H new ATOM 1300 N GLU A 86 -2.753 -12.899 13.387 1.00 0.00 N ATOM 1301 CA GLU A 86 -2.316 -13.708 12.262 1.00 0.00 C ATOM 1302 C GLU A 86 -0.860 -14.139 12.451 1.00 0.00 C ATOM 1303 O GLU A 86 0.021 -13.299 12.628 1.00 0.00 O ATOM 1304 CB GLU A 86 -2.498 -12.955 10.942 1.00 0.00 C ATOM 1305 CG GLU A 86 -2.563 -13.925 9.761 1.00 0.00 C ATOM 1306 CD GLU A 86 -2.502 -13.174 8.430 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -1.872 -12.109 8.347 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -3.138 -13.734 7.458 1.00 0.00 O ATOM 0 H GLU A 86 -2.023 -12.683 14.066 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.937 -14.603 12.221 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.412 -12.362 10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.672 -12.258 10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.736 -14.633 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.484 -14.506 9.813 1.00 0.00 H new ATOM 1315 N PHE A 87 -0.653 -15.446 12.407 1.00 0.00 N ATOM 1316 CA PHE A 87 0.680 -15.999 12.572 1.00 0.00 C ATOM 1317 C PHE A 87 1.358 -16.210 11.217 1.00 0.00 C ATOM 1318 O PHE A 87 1.093 -17.198 10.534 1.00 0.00 O ATOM 1319 CB PHE A 87 0.521 -17.353 13.266 1.00 0.00 C ATOM 1320 CG PHE A 87 0.387 -17.262 14.787 1.00 0.00 C ATOM 1321 CD1 PHE A 87 1.366 -16.669 15.521 1.00 0.00 C ATOM 1322 CD2 PHE A 87 -0.711 -17.774 15.405 1.00 0.00 C ATOM 1323 CE1 PHE A 87 1.242 -16.584 16.933 1.00 0.00 C ATOM 1324 CE2 PHE A 87 -0.835 -17.689 16.817 1.00 0.00 C ATOM 1325 CZ PHE A 87 0.144 -17.095 17.551 1.00 0.00 C ATOM 0 H PHE A 87 -1.387 -16.139 12.259 1.00 0.00 H new ATOM 0 HA PHE A 87 1.297 -15.314 13.154 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.359 -17.855 12.864 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.382 -17.977 13.024 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.238 -16.263 15.030 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.488 -18.245 14.822 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.020 -16.113 17.516 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.707 -18.096 17.308 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.049 -17.029 18.625 1.00 0.00 H new ATOM 1335 N TRP A 88 2.219 -15.265 10.868 1.00 0.00 N ATOM 1336 CA TRP A 88 2.936 -15.335 9.606 1.00 0.00 C ATOM 1337 C TRP A 88 4.213 -14.504 9.742 1.00 0.00 C ATOM 1338 O TRP A 88 4.317 -13.420 9.168 1.00 0.00 O ATOM 1339 CB TRP A 88 2.048 -14.882 8.445 1.00 0.00 C ATOM 1340 CG TRP A 88 1.999 -15.869 7.277 1.00 0.00 C ATOM 1341 CD1 TRP A 88 2.959 -16.709 6.866 1.00 0.00 C ATOM 1342 CD2 TRP A 88 0.888 -16.087 6.382 1.00 0.00 C ATOM 1343 NE1 TRP A 88 2.550 -17.449 5.775 1.00 0.00 N ATOM 1344 CE2 TRP A 88 1.251 -17.059 5.472 1.00 0.00 C ATOM 1345 CE3 TRP A 88 -0.381 -15.483 6.343 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 0.401 -17.512 4.456 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 -1.218 -15.948 5.322 1.00 0.00 C ATOM 1348 CH2 TRP A 88 -0.869 -16.925 4.397 1.00 0.00 C ATOM 0 H TRP A 88 2.436 -14.447 11.437 1.00 0.00 H new ATOM 0 HA TRP A 88 3.213 -16.364 9.376 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.035 -14.723 8.816 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.408 -13.920 8.080 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.930 -16.796 7.330 1.00 0.00 H new ATOM 0 HE1 TRP A 88 3.100 -18.153 5.282 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.686 -14.721 7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.708 -18.274 3.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.205 -15.517 5.248 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.573 -17.230 3.637 1.00 0.00 H new ATOM 1359 N ALA A 89 5.154 -15.042 10.504 1.00 0.00 N ATOM 1360 CA ALA A 89 6.420 -14.364 10.722 1.00 0.00 C ATOM 1361 C ALA A 89 7.464 -15.380 11.190 1.00 0.00 C ATOM 1362 O ALA A 89 7.137 -16.329 11.901 1.00 0.00 O ATOM 1363 CB ALA A 89 6.223 -13.226 11.726 1.00 0.00 C ATOM 0 H ALA A 89 5.065 -15.941 10.978 1.00 0.00 H new ATOM 0 HA ALA A 89 6.783 -13.922 9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.173 -12.717 11.890 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.494 -12.517 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.862 -13.633 12.671 1.00 0.00 H new ATOM 1369 N LYS A 90 8.699 -15.147 10.771 1.00 0.00 N ATOM 1370 CA LYS A 90 9.793 -16.030 11.138 1.00 0.00 C ATOM 1371 C LYS A 90 11.039 -15.194 11.438 1.00 0.00 C ATOM 1372 O LYS A 90 11.179 -14.080 10.936 1.00 0.00 O ATOM 1373 CB LYS A 90 10.011 -17.091 10.057 1.00 0.00 C ATOM 1374 CG LYS A 90 10.641 -16.477 8.805 1.00 0.00 C ATOM 1375 CD LYS A 90 10.553 -17.439 7.619 1.00 0.00 C ATOM 1376 CE LYS A 90 10.179 -16.695 6.336 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.747 -17.382 5.154 1.00 0.00 N ATOM 0 H LYS A 90 8.966 -14.359 10.181 1.00 0.00 H new ATOM 0 HA LYS A 90 9.550 -16.579 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.655 -17.881 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.058 -17.554 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.135 -15.544 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.685 -16.231 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.509 -17.945 7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.811 -18.210 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.094 -16.638 6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.549 -15.671 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.484 -16.864 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.783 -17.414 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.374 -18.351 5.103 1.00 0.00 H new ATOM 1391 N PRO A 91 11.935 -15.779 12.278 1.00 0.00 N ATOM 1392 CA PRO A 91 13.164 -15.100 12.651 1.00 0.00 C ATOM 1393 C PRO A 91 14.174 -15.123 11.502 1.00 0.00 C ATOM 1394 O PRO A 91 15.112 -15.918 11.511 1.00 0.00 O ATOM 1395 CB PRO A 91 13.657 -15.831 13.889 1.00 0.00 C ATOM 1396 CG PRO A 91 12.943 -17.173 13.892 1.00 0.00 C ATOM 1397 CD PRO A 91 11.802 -17.097 12.891 1.00 0.00 C ATOM 0 HA PRO A 91 13.012 -14.042 12.863 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.738 -15.964 13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.430 -15.266 14.793 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.633 -17.973 13.624 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.563 -17.401 14.888 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.875 -17.889 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.836 -17.210 13.383 1.00 0.00 H new ATOM 1405 N LYS A 92 13.947 -14.240 10.540 1.00 0.00 N ATOM 1406 CA LYS A 92 14.826 -14.149 9.386 1.00 0.00 C ATOM 1407 C LYS A 92 14.465 -12.903 8.574 1.00 0.00 C ATOM 1408 O LYS A 92 13.623 -12.964 7.679 1.00 0.00 O ATOM 1409 CB LYS A 92 14.782 -15.446 8.576 1.00 0.00 C ATOM 1410 CG LYS A 92 16.033 -16.291 8.827 1.00 0.00 C ATOM 1411 CD LYS A 92 15.665 -17.757 9.065 1.00 0.00 C ATOM 1412 CE LYS A 92 16.866 -18.671 8.815 1.00 0.00 C ATOM 1413 NZ LYS A 92 16.914 -19.752 9.826 1.00 0.00 N ATOM 0 H LYS A 92 13.168 -13.582 10.536 1.00 0.00 H new ATOM 0 HA LYS A 92 15.862 -14.034 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.893 -16.017 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.703 -15.213 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.705 -16.215 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.571 -15.902 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.312 -17.886 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.844 -18.041 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.801 -19.102 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.787 -18.089 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.735 -20.363 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.998 -19.336 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.043 -20.317 9.772 1.00 0.00 H new ATOM 1427 N PRO A 93 15.138 -11.774 8.923 1.00 0.00 N ATOM 1428 CA PRO A 93 14.897 -10.517 8.236 1.00 0.00 C ATOM 1429 C PRO A 93 15.545 -10.516 6.850 1.00 0.00 C ATOM 1430 O PRO A 93 14.895 -10.835 5.856 1.00 0.00 O ATOM 1431 CB PRO A 93 15.465 -9.450 9.158 1.00 0.00 C ATOM 1432 CG PRO A 93 16.412 -10.175 10.101 1.00 0.00 C ATOM 1433 CD PRO A 93 16.142 -11.665 9.977 1.00 0.00 C ATOM 0 HA PRO A 93 13.839 -10.338 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 93 15.991 -8.683 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.671 -8.949 9.711 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.448 -9.952 9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.257 -9.843 11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.049 -12.211 9.718 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.777 -12.081 10.916 1.00 0.00 H new TER 1441 PRO A 93