USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 80 SER OG : rot 180:sc= -0.192 USER MOD Set 1.2: A 82 ASN : amide:sc= 0 X(o=-0.19,f=-0.19) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.224 K(o=-2.1,f=-2.8) USER MOD Set 2.2: A 36 GLN : amide:sc= -1.89! K(o=-2.1!,f=-3.4) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-15!) USER MOD Set 3.2: A 108 CYS SG : rot 125:sc= 0.0736 USER MOD Set 4.1: A 14 SER OG : rot -98:sc= 0 USER MOD Set 4.2: A 110 ASN : amide:sc= -0.23 K(o=-0.23,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.112 (180deg=0) USER MOD Single : A 3 MET CE :methyl -109:sc= -2.23! (180deg=-5.05!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.79 K(o=-1.8,f=-6.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 17 ASN : amide:sc= 0.118 K(o=0.12,f=-3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.014) USER MOD Single : A 29 CYS SG : rot -160:sc= -1.86 USER MOD Single : A 32 THR OG1 : rot 84:sc= 0.776 USER MOD Single : A 35 TYR OH : rot -105:sc= 2.45 USER MOD Single : A 38 GLN : amide:sc= -0.0824 K(o=-0.082,f=-0.82) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.12 (180deg=-0.435) USER MOD Single : A 44 ASN : amide:sc= 0.41 K(o=0.41,f=-13!) USER MOD Single : A 49 CYS SG : rot 77:sc= -0.776 USER MOD Single : A 50 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= 1.04 K(o=1,f=-0.44) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.363 F(o=-1.2,f=-0.36) USER MOD Single : A 60 SER OG : rot 77:sc= 0.821 USER MOD Single : A 62 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= 0.922 K(o=0.92,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.11) USER MOD Single : A 73 SER OG : rot 39:sc= 1.08 USER MOD Single : A 75 MET CE :methyl 159:sc= 0 (180deg=-0.185) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0558) USER MOD Single : A 83 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.56) USER MOD Single : A 88 MET CE :methyl -123:sc= -1.96 (180deg=-2.31) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 169:sc= -2.3! USER MOD Single : A 92 SER OG : rot 80:sc= 0.148 USER MOD Single : A 94 THR OG1 : rot -128:sc= -1.72! USER MOD Single : A 96 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 97 ASN : amide:sc= 0.489 K(o=0.49,f=-3.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -52:sc= 0.0281 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.235 F(o=-1.3,f=-0.23) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.256 X(o=0.26,f=-0.19) USER MOD Single : A 116 SER OG : rot 180:sc=-0.00214 USER MOD Single : A 117 SER OG : rot 59:sc= 0.0862 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.138 F(o=-1.4!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.315 17.410 3.608 1.00 0.00 N ATOM 2 CA GLY A 1 -13.019 16.697 3.576 1.00 0.00 C ATOM 3 C GLY A 1 -12.727 16.125 2.208 1.00 0.00 C ATOM 4 O GLY A 1 -13.444 16.417 1.248 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.164 18.390 3.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.735 17.410 2.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.958 16.931 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.220 17.382 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.028 15.893 4.312 1.00 0.00 H new ATOM 10 N ALA A 2 -11.678 15.309 2.129 1.00 0.00 N ATOM 11 CA ALA A 2 -11.263 14.668 0.882 1.00 0.00 C ATOM 12 C ALA A 2 -10.958 15.698 -0.200 1.00 0.00 C ATOM 13 O ALA A 2 -11.677 15.810 -1.193 1.00 0.00 O ATOM 14 CB ALA A 2 -12.319 13.676 0.405 1.00 0.00 C ATOM 0 H ALA A 2 -11.091 15.073 2.929 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.343 14.119 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.989 13.212 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.465 12.907 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.260 14.200 0.234 1.00 0.00 H new ATOM 20 N MET A 3 -9.889 16.457 0.001 1.00 0.00 N ATOM 21 CA MET A 3 -9.473 17.450 -0.980 1.00 0.00 C ATOM 22 C MET A 3 -8.763 16.786 -2.150 1.00 0.00 C ATOM 23 O MET A 3 -8.411 15.606 -2.088 1.00 0.00 O ATOM 24 CB MET A 3 -8.561 18.506 -0.347 1.00 0.00 C ATOM 25 CG MET A 3 -9.264 19.449 0.626 1.00 0.00 C ATOM 26 SD MET A 3 -10.518 20.494 -0.157 1.00 0.00 S ATOM 27 CE MET A 3 -11.924 19.384 -0.246 1.00 0.00 C ATOM 0 H MET A 3 -9.297 16.405 0.830 1.00 0.00 H new ATOM 0 HA MET A 3 -10.371 17.946 -1.347 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.751 18.000 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.105 19.097 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.734 18.860 1.414 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.519 20.085 1.104 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.096 19.097 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.722 18.493 0.348 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.809 19.886 0.143 1.00 0.00 H new ATOM 37 N ASP A 4 -8.557 17.550 -3.212 1.00 0.00 N ATOM 38 CA ASP A 4 -7.927 17.033 -4.420 1.00 0.00 C ATOM 39 C ASP A 4 -6.409 17.015 -4.286 1.00 0.00 C ATOM 40 O ASP A 4 -5.776 16.019 -4.623 1.00 0.00 O ATOM 41 CB ASP A 4 -8.337 17.879 -5.635 1.00 0.00 C ATOM 42 CG ASP A 4 -7.926 19.333 -5.500 1.00 0.00 C ATOM 43 OD1 ASP A 4 -8.566 20.065 -4.716 1.00 0.00 O ATOM 44 OD2 ASP A 4 -6.947 19.746 -6.154 1.00 0.00 O ATOM 0 H ASP A 4 -8.818 18.535 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.268 16.008 -4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.885 17.460 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.418 17.821 -5.765 1.00 0.00 H new ATOM 49 N ASN A 5 -5.832 18.104 -3.776 1.00 0.00 N ATOM 50 CA ASN A 5 -4.377 18.240 -3.697 1.00 0.00 C ATOM 51 C ASN A 5 -3.750 18.016 -5.068 1.00 0.00 C ATOM 52 O ASN A 5 -2.790 17.248 -5.201 1.00 0.00 O ATOM 53 CB ASN A 5 -3.774 17.253 -2.686 1.00 0.00 C ATOM 54 CG ASN A 5 -3.999 17.659 -1.244 1.00 0.00 C ATOM 55 OD1 ASN A 5 -4.087 18.842 -0.918 1.00 0.00 O ATOM 56 ND2 ASN A 5 -4.092 16.673 -0.369 1.00 0.00 N ATOM 0 H ASN A 5 -6.349 18.904 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.159 19.253 -3.358 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.207 16.266 -2.850 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.703 17.166 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.242 16.880 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.013 15.705 -0.681 1.00 0.00 H new ATOM 63 N VAL A 6 -4.319 18.677 -6.083 1.00 0.00 N ATOM 64 CA VAL A 6 -3.865 18.553 -7.469 1.00 0.00 C ATOM 65 C VAL A 6 -4.357 17.236 -8.072 1.00 0.00 C ATOM 66 O VAL A 6 -4.456 16.226 -7.383 1.00 0.00 O ATOM 67 CB VAL A 6 -2.319 18.660 -7.588 1.00 0.00 C ATOM 68 CG1 VAL A 6 -1.858 18.450 -9.024 1.00 0.00 C ATOM 69 CG2 VAL A 6 -1.835 20.007 -7.070 1.00 0.00 C ATOM 0 H VAL A 6 -5.108 19.313 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.292 19.385 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.884 17.870 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.772 18.531 -9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.164 17.460 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.308 19.208 -9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.750 20.064 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.290 20.807 -7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.117 20.117 -6.023 1.00 0.00 H new ATOM 79 N CYS A 7 -4.703 17.273 -9.355 1.00 0.00 N ATOM 80 CA CYS A 7 -5.185 16.093 -10.064 1.00 0.00 C ATOM 81 C CYS A 7 -4.149 14.969 -10.032 1.00 0.00 C ATOM 82 O CYS A 7 -3.131 15.019 -10.726 1.00 0.00 O ATOM 83 CB CYS A 7 -5.523 16.456 -11.511 1.00 0.00 C ATOM 84 SG CYS A 7 -6.251 15.102 -12.463 1.00 0.00 S ATOM 0 H CYS A 7 -4.658 18.115 -9.929 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.085 15.737 -9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.215 17.298 -11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.614 16.790 -12.012 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.503 15.508 -13.672 1.00 0.00 H new ATOM 90 N GLN A 8 -4.423 13.957 -9.220 1.00 0.00 N ATOM 91 CA GLN A 8 -3.497 12.852 -9.030 1.00 0.00 C ATOM 92 C GLN A 8 -3.965 11.605 -9.778 1.00 0.00 C ATOM 93 O GLN A 8 -5.164 11.364 -9.918 1.00 0.00 O ATOM 94 CB GLN A 8 -3.361 12.533 -7.539 1.00 0.00 C ATOM 95 CG GLN A 8 -2.904 13.710 -6.688 1.00 0.00 C ATOM 96 CD GLN A 8 -1.593 14.314 -7.160 1.00 0.00 C ATOM 97 OE1 GLN A 8 -0.747 13.633 -7.733 1.00 0.00 O ATOM 98 NE2 GLN A 8 -1.413 15.598 -6.913 1.00 0.00 N ATOM 0 H GLN A 8 -5.285 13.880 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.529 13.152 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.322 12.180 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.652 11.714 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.676 14.479 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.795 13.382 -5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.139 16.132 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.548 16.056 -7.201 1.00 0.00 H new ATOM 107 N PRO A 9 -3.007 10.828 -10.310 1.00 0.00 N ATOM 108 CA PRO A 9 -3.262 9.517 -10.925 1.00 0.00 C ATOM 109 C PRO A 9 -3.616 8.456 -9.885 1.00 0.00 C ATOM 110 O PRO A 9 -3.408 8.661 -8.688 1.00 0.00 O ATOM 111 CB PRO A 9 -1.928 9.160 -11.599 1.00 0.00 C ATOM 112 CG PRO A 9 -1.119 10.412 -11.580 1.00 0.00 C ATOM 113 CD PRO A 9 -1.584 11.182 -10.382 1.00 0.00 C ATOM 0 HA PRO A 9 -4.106 9.554 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.421 8.358 -11.063 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.086 8.811 -12.620 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.054 10.188 -11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.266 10.986 -12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.047 10.891 -9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.438 12.255 -10.508 1.00 0.00 H new ATOM 121 N THR A 10 -4.143 7.320 -10.343 1.00 0.00 N ATOM 122 CA THR A 10 -4.543 6.236 -9.449 1.00 0.00 C ATOM 123 C THR A 10 -3.375 5.301 -9.126 1.00 0.00 C ATOM 124 O THR A 10 -3.555 4.100 -8.899 1.00 0.00 O ATOM 125 CB THR A 10 -5.708 5.425 -10.044 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.590 5.365 -11.473 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.044 6.043 -9.668 1.00 0.00 C ATOM 0 H THR A 10 -4.303 7.128 -11.332 1.00 0.00 H new ATOM 0 HA THR A 10 -4.873 6.703 -8.521 1.00 0.00 H new ATOM 0 HB THR A 10 -5.662 4.416 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.335 4.845 -11.841 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.852 5.453 -10.100 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.145 6.058 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.094 7.062 -10.051 1.00 0.00 H new ATOM 135 N GLU A 11 -2.178 5.860 -9.140 1.00 0.00 N ATOM 136 CA GLU A 11 -0.985 5.169 -8.684 1.00 0.00 C ATOM 137 C GLU A 11 -0.230 6.090 -7.738 1.00 0.00 C ATOM 138 O GLU A 11 -0.067 7.265 -8.036 1.00 0.00 O ATOM 139 CB GLU A 11 -0.119 4.777 -9.896 1.00 0.00 C ATOM 140 CG GLU A 11 1.284 4.275 -9.562 1.00 0.00 C ATOM 141 CD GLU A 11 2.319 5.389 -9.514 1.00 0.00 C ATOM 142 OE1 GLU A 11 2.671 5.931 -10.587 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.789 5.733 -8.413 1.00 0.00 O ATOM 0 H GLU A 11 -2.005 6.810 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.247 4.254 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.640 4.002 -10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.030 5.642 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.262 3.766 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.586 3.538 -10.305 1.00 0.00 H new ATOM 150 N PHE A 12 0.217 5.571 -6.602 1.00 0.00 N ATOM 151 CA PHE A 12 0.965 6.383 -5.648 1.00 0.00 C ATOM 152 C PHE A 12 2.040 5.559 -4.956 1.00 0.00 C ATOM 153 O PHE A 12 1.872 4.364 -4.736 1.00 0.00 O ATOM 154 CB PHE A 12 0.030 7.026 -4.608 1.00 0.00 C ATOM 155 CG PHE A 12 -0.624 6.073 -3.637 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.846 5.487 -3.929 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.027 5.789 -2.416 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.455 4.633 -3.028 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.635 4.939 -1.510 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.850 4.360 -1.815 1.00 0.00 C ATOM 0 H PHE A 12 0.077 4.601 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 12 1.450 7.182 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.600 7.761 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.752 7.570 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.328 5.700 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.924 6.238 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.404 4.179 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.159 4.728 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.327 3.696 -1.109 1.00 0.00 H new ATOM 170 N ILE A 13 3.146 6.203 -4.619 1.00 0.00 N ATOM 171 CA ILE A 13 4.228 5.539 -3.915 1.00 0.00 C ATOM 172 C ILE A 13 4.074 5.748 -2.415 1.00 0.00 C ATOM 173 O ILE A 13 3.896 6.876 -1.950 1.00 0.00 O ATOM 174 CB ILE A 13 5.611 6.049 -4.376 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.787 5.802 -5.879 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.724 5.368 -3.587 1.00 0.00 C ATOM 177 CD1 ILE A 13 7.110 6.288 -6.428 1.00 0.00 C ATOM 0 H ILE A 13 3.317 7.188 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 13 4.172 4.475 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 13 5.669 7.121 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.693 4.734 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.978 6.297 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.691 5.740 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.603 5.586 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.675 4.291 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.160 6.078 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.199 7.362 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.926 5.775 -5.919 1.00 0.00 H new ATOM 189 N SER A 14 4.121 4.659 -1.669 1.00 0.00 N ATOM 190 CA SER A 14 3.971 4.720 -0.230 1.00 0.00 C ATOM 191 C SER A 14 5.129 4.019 0.466 1.00 0.00 C ATOM 192 O SER A 14 5.562 2.936 0.059 1.00 0.00 O ATOM 193 CB SER A 14 2.635 4.099 0.183 1.00 0.00 C ATOM 194 OG SER A 14 2.518 2.767 -0.294 1.00 0.00 O ATOM 0 H SER A 14 4.262 3.719 -2.040 1.00 0.00 H new ATOM 0 HA SER A 14 3.981 5.766 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.547 4.108 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.815 4.701 -0.208 1.00 0.00 H new ATOM 0 HG SER A 14 1.995 2.761 -1.123 1.00 0.00 H new ATOM 200 N ARG A 15 5.641 4.650 1.509 1.00 0.00 N ATOM 201 CA ARG A 15 6.696 4.071 2.313 1.00 0.00 C ATOM 202 C ARG A 15 6.117 3.734 3.675 1.00 0.00 C ATOM 203 O ARG A 15 5.494 4.584 4.317 1.00 0.00 O ATOM 204 CB ARG A 15 7.866 5.049 2.444 1.00 0.00 C ATOM 205 CG ARG A 15 8.416 5.505 1.102 1.00 0.00 C ATOM 206 CD ARG A 15 9.513 6.544 1.260 1.00 0.00 C ATOM 207 NE ARG A 15 9.986 7.025 -0.038 1.00 0.00 N ATOM 208 CZ ARG A 15 10.278 8.299 -0.303 1.00 0.00 C ATOM 209 NH1 ARG A 15 10.192 9.217 0.652 1.00 0.00 N ATOM 210 NH2 ARG A 15 10.666 8.653 -1.523 1.00 0.00 N ATOM 0 H ARG A 15 5.337 5.573 1.819 1.00 0.00 H new ATOM 0 HA ARG A 15 7.079 3.167 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.541 5.921 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.665 4.576 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.807 4.644 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.607 5.920 0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.139 7.383 1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.346 6.114 1.815 1.00 0.00 H new ATOM 0 HE ARG A 15 10.100 6.343 -0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.902 8.949 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.416 10.190 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.741 7.950 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.889 9.628 -1.724 1.00 0.00 H new ATOM 224 N HIS A 16 6.279 2.497 4.103 1.00 0.00 N ATOM 225 CA HIS A 16 5.625 2.041 5.320 1.00 0.00 C ATOM 226 C HIS A 16 6.437 0.957 6.010 1.00 0.00 C ATOM 227 O HIS A 16 7.157 0.208 5.362 1.00 0.00 O ATOM 228 CB HIS A 16 4.201 1.542 5.011 1.00 0.00 C ATOM 229 CG HIS A 16 4.097 0.353 4.101 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.018 -0.506 4.126 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.914 -0.111 3.128 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.183 -1.444 3.216 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.323 -1.227 2.594 1.00 0.00 N ATOM 0 H HIS A 16 6.851 1.794 3.634 1.00 0.00 H new ATOM 0 HA HIS A 16 5.556 2.888 6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.713 1.295 5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.639 2.364 4.566 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.217 -0.427 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.858 0.319 2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.498 -2.255 3.014 1.00 0.00 H new ATOM 242 N ASN A 17 6.292 0.870 7.326 1.00 0.00 N ATOM 243 CA ASN A 17 7.024 -0.110 8.114 1.00 0.00 C ATOM 244 C ASN A 17 6.437 -1.493 7.863 1.00 0.00 C ATOM 245 O ASN A 17 5.261 -1.607 7.510 1.00 0.00 O ATOM 246 CB ASN A 17 6.955 0.230 9.608 1.00 0.00 C ATOM 247 CG ASN A 17 7.805 -0.703 10.452 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.846 -1.185 10.008 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.357 -0.986 11.662 1.00 0.00 N ATOM 0 H ASN A 17 5.672 1.469 7.871 1.00 0.00 H new ATOM 0 HA ASN A 17 8.072 -0.096 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.287 1.257 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.919 0.177 9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.879 -1.624 12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.489 -0.567 11.996 1.00 0.00 H new ATOM 256 N ILE A 18 7.261 -2.522 8.077 1.00 0.00 N ATOM 257 CA ILE A 18 6.976 -3.902 7.652 1.00 0.00 C ATOM 258 C ILE A 18 5.591 -4.402 8.059 1.00 0.00 C ATOM 259 O ILE A 18 5.024 -5.260 7.389 1.00 0.00 O ATOM 260 CB ILE A 18 8.036 -4.880 8.196 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.120 -4.794 9.725 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.390 -4.589 7.568 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.058 -5.810 10.341 1.00 0.00 C ATOM 0 H ILE A 18 8.156 -2.423 8.556 1.00 0.00 H new ATOM 0 HA ILE A 18 7.006 -3.873 6.563 1.00 0.00 H new ATOM 0 HB ILE A 18 7.740 -5.895 7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.447 -3.793 10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.123 -4.933 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.130 -5.286 7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.321 -4.703 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.690 -3.569 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.065 -5.689 11.424 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.720 -6.816 10.091 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.065 -5.658 9.952 1.00 0.00 H new ATOM 275 N GLU A 19 5.049 -3.862 9.142 1.00 0.00 N ATOM 276 CA GLU A 19 3.728 -4.258 9.618 1.00 0.00 C ATOM 277 C GLU A 19 2.635 -3.791 8.663 1.00 0.00 C ATOM 278 O GLU A 19 1.506 -4.268 8.717 1.00 0.00 O ATOM 279 CB GLU A 19 3.479 -3.669 11.004 1.00 0.00 C ATOM 280 CG GLU A 19 4.559 -4.024 12.003 1.00 0.00 C ATOM 281 CD GLU A 19 4.386 -3.305 13.319 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.636 -2.085 13.371 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.997 -3.958 14.311 1.00 0.00 O ATOM 0 H GLU A 19 5.504 -3.147 9.710 1.00 0.00 H new ATOM 0 HA GLU A 19 3.699 -5.346 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.409 -2.584 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.518 -4.024 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.550 -5.100 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.534 -3.777 11.583 1.00 0.00 H new ATOM 290 N GLY A 20 2.989 -2.862 7.785 1.00 0.00 N ATOM 291 CA GLY A 20 2.028 -2.270 6.887 1.00 0.00 C ATOM 292 C GLY A 20 1.718 -0.835 7.258 1.00 0.00 C ATOM 293 O GLY A 20 0.887 -0.191 6.617 1.00 0.00 O ATOM 0 H GLY A 20 3.939 -2.507 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.413 -2.306 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.109 -2.855 6.902 1.00 0.00 H new ATOM 297 N ILE A 21 2.422 -0.323 8.263 1.00 0.00 N ATOM 298 CA ILE A 21 2.118 0.995 8.832 1.00 0.00 C ATOM 299 C ILE A 21 2.755 2.106 8.008 1.00 0.00 C ATOM 300 O ILE A 21 3.978 2.203 7.941 1.00 0.00 O ATOM 301 CB ILE A 21 2.627 1.104 10.289 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.031 -0.014 11.150 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.298 2.470 10.881 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.524 0.036 11.264 1.00 0.00 C ATOM 0 H ILE A 21 3.209 -0.798 8.704 1.00 0.00 H new ATOM 0 HA ILE A 21 1.034 1.107 8.817 1.00 0.00 H new ATOM 0 HB ILE A 21 3.711 0.993 10.279 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.322 -0.977 10.730 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.463 0.041 12.149 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.666 2.521 11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.774 3.249 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.218 2.618 10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.179 -0.788 11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.224 0.983 11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.081 -0.051 10.272 1.00 0.00 H new ATOM 316 N PHE A 22 1.929 2.948 7.398 1.00 0.00 N ATOM 317 CA PHE A 22 2.417 3.999 6.508 1.00 0.00 C ATOM 318 C PHE A 22 3.119 5.108 7.277 1.00 0.00 C ATOM 319 O PHE A 22 2.585 5.637 8.254 1.00 0.00 O ATOM 320 CB PHE A 22 1.268 4.592 5.691 1.00 0.00 C ATOM 321 CG PHE A 22 0.645 3.623 4.734 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.201 3.414 3.483 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.499 2.928 5.080 1.00 0.00 C ATOM 324 CE1 PHE A 22 0.627 2.525 2.596 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.077 2.041 4.198 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.515 1.839 2.953 1.00 0.00 C ATOM 0 H PHE A 22 0.915 2.924 7.503 1.00 0.00 H new ATOM 0 HA PHE A 22 3.140 3.538 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.501 4.959 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.637 5.453 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.093 3.952 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.944 3.082 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.071 2.367 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.970 1.503 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.969 1.145 2.260 1.00 0.00 H new ATOM 336 N THR A 23 4.321 5.449 6.830 1.00 0.00 N ATOM 337 CA THR A 23 5.071 6.547 7.413 1.00 0.00 C ATOM 338 C THR A 23 5.201 7.701 6.420 1.00 0.00 C ATOM 339 O THR A 23 5.383 8.852 6.815 1.00 0.00 O ATOM 340 CB THR A 23 6.468 6.092 7.874 1.00 0.00 C ATOM 341 OG1 THR A 23 7.117 5.347 6.836 1.00 0.00 O ATOM 342 CG2 THR A 23 6.371 5.241 9.131 1.00 0.00 C ATOM 0 H THR A 23 4.797 4.976 6.061 1.00 0.00 H new ATOM 0 HA THR A 23 4.518 6.892 8.287 1.00 0.00 H new ATOM 0 HB THR A 23 7.056 6.982 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.004 5.065 7.142 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.370 4.931 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.910 5.822 9.929 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.764 4.359 8.927 1.00 0.00 H new ATOM 350 N PHE A 24 5.109 7.387 5.126 1.00 0.00 N ATOM 351 CA PHE A 24 5.137 8.407 4.081 1.00 0.00 C ATOM 352 C PHE A 24 4.205 8.024 2.931 1.00 0.00 C ATOM 353 O PHE A 24 4.287 6.918 2.396 1.00 0.00 O ATOM 354 CB PHE A 24 6.564 8.592 3.554 1.00 0.00 C ATOM 355 CG PHE A 24 6.658 9.553 2.401 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.680 10.918 2.625 1.00 0.00 C ATOM 357 CD2 PHE A 24 6.712 9.089 1.096 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.755 11.804 1.568 1.00 0.00 C ATOM 359 CE2 PHE A 24 6.783 9.970 0.036 1.00 0.00 C ATOM 360 CZ PHE A 24 6.806 11.331 0.272 1.00 0.00 C ATOM 0 H PHE A 24 5.014 6.433 4.779 1.00 0.00 H new ATOM 0 HA PHE A 24 4.794 9.347 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.199 8.947 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.956 7.624 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.638 11.295 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.698 8.026 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.774 12.867 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.821 9.596 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.864 12.023 -0.555 1.00 0.00 H new ATOM 370 N VAL A 25 3.313 8.937 2.562 1.00 0.00 N ATOM 371 CA VAL A 25 2.384 8.707 1.462 1.00 0.00 C ATOM 372 C VAL A 25 2.381 9.891 0.498 1.00 0.00 C ATOM 373 O VAL A 25 2.363 11.044 0.927 1.00 0.00 O ATOM 374 CB VAL A 25 0.946 8.485 1.980 1.00 0.00 C ATOM 375 CG1 VAL A 25 -0.034 8.366 0.823 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.879 7.252 2.867 1.00 0.00 C ATOM 0 H VAL A 25 3.214 9.847 3.011 1.00 0.00 H new ATOM 0 HA VAL A 25 2.720 7.810 0.941 1.00 0.00 H new ATOM 0 HB VAL A 25 0.664 9.352 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.040 8.210 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.012 9.281 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.246 7.521 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.142 7.114 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.187 6.376 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.545 7.381 3.720 1.00 0.00 H new ATOM 386 N ASP A 26 2.408 9.604 -0.801 1.00 0.00 N ATOM 387 CA ASP A 26 2.326 10.638 -1.825 1.00 0.00 C ATOM 388 C ASP A 26 0.873 11.057 -2.058 1.00 0.00 C ATOM 389 O ASP A 26 -0.055 10.265 -1.893 1.00 0.00 O ATOM 390 CB ASP A 26 2.936 10.137 -3.140 1.00 0.00 C ATOM 391 CG ASP A 26 2.969 11.209 -4.210 1.00 0.00 C ATOM 392 OD1 ASP A 26 1.933 11.430 -4.871 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.022 11.855 -4.383 1.00 0.00 O ATOM 0 H ASP A 26 2.487 8.656 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 26 2.889 11.504 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.950 9.782 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.361 9.285 -3.502 1.00 0.00 H new ATOM 398 N HIS A 27 0.710 12.326 -2.438 1.00 0.00 N ATOM 399 CA HIS A 27 -0.598 12.974 -2.606 1.00 0.00 C ATOM 400 C HIS A 27 -1.549 12.190 -3.502 1.00 0.00 C ATOM 401 O HIS A 27 -2.762 12.349 -3.389 1.00 0.00 O ATOM 402 CB HIS A 27 -0.405 14.366 -3.200 1.00 0.00 C ATOM 403 CG HIS A 27 0.342 15.315 -2.320 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.669 15.633 -2.510 1.00 0.00 N ATOM 405 CD2 HIS A 27 -0.064 16.037 -1.254 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.046 16.506 -1.599 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.012 16.770 -0.825 1.00 0.00 N ATOM 0 H HIS A 27 1.495 12.945 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.049 13.024 -1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.126 14.273 -4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.383 14.791 -3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.053 16.037 -0.820 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.033 16.933 -1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.013 17.415 -0.035 1.00 0.00 H new ATOM 416 N ARG A 28 -1.007 11.356 -4.382 1.00 0.00 N ATOM 417 CA ARG A 28 -1.826 10.583 -5.316 1.00 0.00 C ATOM 418 C ARG A 28 -2.749 9.600 -4.582 1.00 0.00 C ATOM 419 O ARG A 28 -3.633 8.991 -5.189 1.00 0.00 O ATOM 420 CB ARG A 28 -0.935 9.827 -6.302 1.00 0.00 C ATOM 421 CG ARG A 28 0.023 10.720 -7.076 1.00 0.00 C ATOM 422 CD ARG A 28 0.933 9.897 -7.965 1.00 0.00 C ATOM 423 NE ARG A 28 1.983 10.684 -8.601 1.00 0.00 N ATOM 424 CZ ARG A 28 3.146 10.170 -8.988 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.372 8.868 -8.845 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.074 10.946 -9.533 1.00 0.00 N ATOM 0 H ARG A 28 -0.004 11.196 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.454 11.286 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.359 9.079 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.567 9.289 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.543 11.427 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.622 11.307 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.391 9.106 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.335 9.412 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 28 1.817 11.678 -8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.654 8.267 -8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.263 8.470 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.897 11.943 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.965 10.546 -9.828 1.00 0.00 H new ATOM 440 N CYS A 29 -2.542 9.461 -3.275 1.00 0.00 N ATOM 441 CA CYS A 29 -3.370 8.599 -2.442 1.00 0.00 C ATOM 442 C CYS A 29 -4.833 9.037 -2.464 1.00 0.00 C ATOM 443 O CYS A 29 -5.742 8.201 -2.469 1.00 0.00 O ATOM 444 CB CYS A 29 -2.840 8.603 -1.011 1.00 0.00 C ATOM 445 SG CYS A 29 -3.643 7.413 0.083 1.00 0.00 S ATOM 0 H CYS A 29 -1.799 9.941 -2.767 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.322 7.588 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.770 8.395 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.962 9.602 -0.594 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.449 7.761 1.320 1.00 0.00 H new ATOM 451 N VAL A 30 -5.051 10.346 -2.510 1.00 0.00 N ATOM 452 CA VAL A 30 -6.394 10.908 -2.429 1.00 0.00 C ATOM 453 C VAL A 30 -7.230 10.517 -3.641 1.00 0.00 C ATOM 454 O VAL A 30 -8.433 10.291 -3.530 1.00 0.00 O ATOM 455 CB VAL A 30 -6.343 12.449 -2.305 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.370 12.851 -1.214 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.958 13.106 -3.620 1.00 0.00 C ATOM 0 H VAL A 30 -4.311 11.041 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.864 10.497 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.343 12.795 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.341 13.938 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.693 12.426 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.375 12.479 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.933 14.188 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.973 12.754 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.691 12.848 -4.384 1.00 0.00 H new ATOM 467 N ALA A 31 -6.589 10.414 -4.792 1.00 0.00 N ATOM 468 CA ALA A 31 -7.293 10.047 -6.007 1.00 0.00 C ATOM 469 C ALA A 31 -7.527 8.548 -6.050 1.00 0.00 C ATOM 470 O ALA A 31 -8.646 8.087 -6.279 1.00 0.00 O ATOM 471 CB ALA A 31 -6.514 10.502 -7.227 1.00 0.00 C ATOM 0 H ALA A 31 -5.589 10.578 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.262 10.546 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.055 10.219 -8.130 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.395 11.585 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.532 10.029 -7.229 1.00 0.00 H new ATOM 477 N THR A 32 -6.456 7.797 -5.835 1.00 0.00 N ATOM 478 CA THR A 32 -6.513 6.346 -5.828 1.00 0.00 C ATOM 479 C THR A 32 -7.531 5.802 -4.824 1.00 0.00 C ATOM 480 O THR A 32 -8.428 5.046 -5.199 1.00 0.00 O ATOM 481 CB THR A 32 -5.130 5.755 -5.504 1.00 0.00 C ATOM 482 OG1 THR A 32 -4.117 6.456 -6.240 1.00 0.00 O ATOM 483 CG2 THR A 32 -5.081 4.279 -5.861 1.00 0.00 C ATOM 0 H THR A 32 -5.526 8.178 -5.661 1.00 0.00 H new ATOM 0 HA THR A 32 -6.829 6.045 -6.827 1.00 0.00 H new ATOM 0 HB THR A 32 -4.951 5.865 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.863 7.268 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.095 3.880 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.837 3.741 -5.289 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.276 4.156 -6.926 1.00 0.00 H new ATOM 491 N VAL A 33 -7.411 6.192 -3.557 1.00 0.00 N ATOM 492 CA VAL A 33 -8.215 5.562 -2.511 1.00 0.00 C ATOM 493 C VAL A 33 -8.828 6.572 -1.545 1.00 0.00 C ATOM 494 O VAL A 33 -9.251 6.210 -0.451 1.00 0.00 O ATOM 495 CB VAL A 33 -7.393 4.530 -1.716 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.028 3.351 -2.601 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.141 5.168 -1.132 1.00 0.00 C ATOM 0 H VAL A 33 -6.780 6.925 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.030 5.057 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.005 4.168 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.447 2.630 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.938 2.875 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.436 3.701 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.577 4.420 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.523 5.562 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.425 5.980 -0.463 1.00 0.00 H new ATOM 507 N GLY A 34 -8.864 7.833 -1.943 1.00 0.00 N ATOM 508 CA GLY A 34 -9.553 8.841 -1.153 1.00 0.00 C ATOM 509 C GLY A 34 -8.781 9.325 0.060 1.00 0.00 C ATOM 510 O GLY A 34 -8.977 10.457 0.504 1.00 0.00 O ATOM 0 H GLY A 34 -8.430 8.181 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.775 9.696 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.508 8.434 -0.821 1.00 0.00 H new ATOM 514 N TYR A 35 -7.921 8.482 0.614 1.00 0.00 N ATOM 515 CA TYR A 35 -7.185 8.855 1.813 1.00 0.00 C ATOM 516 C TYR A 35 -6.157 9.909 1.486 1.00 0.00 C ATOM 517 O TYR A 35 -5.417 9.795 0.515 1.00 0.00 O ATOM 518 CB TYR A 35 -6.470 7.668 2.458 1.00 0.00 C ATOM 519 CG TYR A 35 -7.385 6.556 2.911 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.354 6.782 3.877 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.272 5.278 2.383 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.189 5.769 4.303 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.101 4.260 2.806 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.058 4.510 3.764 1.00 0.00 C ATOM 525 OH TYR A 35 -9.883 3.492 4.189 1.00 0.00 O ATOM 0 H TYR A 35 -7.718 7.548 0.258 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.921 9.237 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.751 7.262 1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.901 8.026 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.457 7.769 4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.524 5.077 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.940 5.963 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.000 3.270 2.387 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.380 2.885 4.771 1.00 0.00 H new ATOM 535 N GLN A 36 -6.116 10.925 2.309 1.00 0.00 N ATOM 536 CA GLN A 36 -5.114 11.951 2.174 1.00 0.00 C ATOM 537 C GLN A 36 -3.819 11.413 2.761 1.00 0.00 C ATOM 538 O GLN A 36 -3.875 10.594 3.677 1.00 0.00 O ATOM 539 CB GLN A 36 -5.557 13.215 2.921 1.00 0.00 C ATOM 540 CG GLN A 36 -6.959 13.670 2.547 1.00 0.00 C ATOM 541 CD GLN A 36 -7.001 14.391 1.220 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.081 15.129 0.879 1.00 0.00 O ATOM 543 NE2 GLN A 36 -8.040 14.146 0.442 1.00 0.00 N ATOM 0 H GLN A 36 -6.767 11.064 3.082 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.970 12.213 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.517 13.028 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.852 14.020 2.711 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.619 12.804 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.343 14.328 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.783 13.526 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.099 14.577 -0.481 1.00 0.00 H new ATOM 552 N PRO A 37 -2.653 11.812 2.228 1.00 0.00 N ATOM 553 CA PRO A 37 -1.356 11.343 2.726 1.00 0.00 C ATOM 554 C PRO A 37 -1.305 11.282 4.254 1.00 0.00 C ATOM 555 O PRO A 37 -1.004 10.236 4.834 1.00 0.00 O ATOM 556 CB PRO A 37 -0.394 12.401 2.193 1.00 0.00 C ATOM 557 CG PRO A 37 -1.005 12.842 0.908 1.00 0.00 C ATOM 558 CD PRO A 37 -2.500 12.734 1.088 1.00 0.00 C ATOM 0 HA PRO A 37 -1.126 10.328 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.291 13.232 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.603 11.990 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.715 13.866 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.667 12.216 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.949 13.705 1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.983 12.345 0.192 1.00 0.00 H new ATOM 566 N GLN A 38 -1.682 12.387 4.886 1.00 0.00 N ATOM 567 CA GLN A 38 -1.672 12.491 6.343 1.00 0.00 C ATOM 568 C GLN A 38 -2.645 11.493 6.970 1.00 0.00 C ATOM 569 O GLN A 38 -2.331 10.863 7.980 1.00 0.00 O ATOM 570 CB GLN A 38 -2.032 13.915 6.772 1.00 0.00 C ATOM 571 CG GLN A 38 -1.078 14.972 6.237 1.00 0.00 C ATOM 572 CD GLN A 38 0.343 14.802 6.737 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.574 14.339 7.855 1.00 0.00 O ATOM 574 NE2 GLN A 38 1.305 15.168 5.908 1.00 0.00 N ATOM 0 H GLN A 38 -2.001 13.230 4.409 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.667 12.255 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.042 14.144 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.043 13.966 7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.080 14.936 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.442 15.959 6.524 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.071 15.547 4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.282 15.071 6.186 1.00 0.00 H new ATOM 583 N GLU A 39 -3.802 11.326 6.335 1.00 0.00 N ATOM 584 CA GLU A 39 -4.870 10.480 6.861 1.00 0.00 C ATOM 585 C GLU A 39 -4.443 9.019 6.914 1.00 0.00 C ATOM 586 O GLU A 39 -4.956 8.240 7.715 1.00 0.00 O ATOM 587 CB GLU A 39 -6.118 10.605 5.986 1.00 0.00 C ATOM 588 CG GLU A 39 -6.769 11.977 6.026 1.00 0.00 C ATOM 589 CD GLU A 39 -7.586 12.206 7.280 1.00 0.00 C ATOM 590 OE1 GLU A 39 -8.751 11.761 7.317 1.00 0.00 O ATOM 591 OE2 GLU A 39 -7.079 12.846 8.223 1.00 0.00 O ATOM 0 H GLU A 39 -4.025 11.771 5.445 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.091 10.817 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.851 10.371 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.847 9.859 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.996 12.742 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.412 12.094 5.153 1.00 0.00 H new ATOM 598 N LEU A 40 -3.515 8.648 6.046 1.00 0.00 N ATOM 599 CA LEU A 40 -3.073 7.269 5.965 1.00 0.00 C ATOM 600 C LEU A 40 -1.879 7.034 6.887 1.00 0.00 C ATOM 601 O LEU A 40 -1.624 5.908 7.319 1.00 0.00 O ATOM 602 CB LEU A 40 -2.712 6.937 4.512 1.00 0.00 C ATOM 603 CG LEU A 40 -2.587 5.449 4.186 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.887 4.719 4.501 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.213 5.257 2.722 1.00 0.00 C ATOM 0 H LEU A 40 -3.056 9.281 5.391 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.880 6.612 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.470 7.371 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.767 7.424 4.271 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.797 5.027 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.777 3.661 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.119 4.830 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.696 5.143 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.128 4.192 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.984 5.696 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.259 5.745 2.523 1.00 0.00 H new ATOM 617 N LEU A 41 -1.155 8.108 7.184 1.00 0.00 N ATOM 618 CA LEU A 41 0.031 8.026 8.029 1.00 0.00 C ATOM 619 C LEU A 41 -0.309 7.535 9.432 1.00 0.00 C ATOM 620 O LEU A 41 -1.164 8.104 10.118 1.00 0.00 O ATOM 621 CB LEU A 41 0.730 9.386 8.116 1.00 0.00 C ATOM 622 CG LEU A 41 1.219 9.958 6.785 1.00 0.00 C ATOM 623 CD1 LEU A 41 2.023 11.230 7.013 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.048 8.928 6.035 1.00 0.00 C ATOM 0 H LEU A 41 -1.370 9.048 6.851 1.00 0.00 H new ATOM 0 HA LEU A 41 0.704 7.304 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.043 10.101 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.583 9.295 8.788 1.00 0.00 H new ATOM 0 HG LEU A 41 0.349 10.207 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.363 11.623 6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.397 11.972 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.886 11.007 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.388 9.352 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.912 8.647 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.440 8.045 5.838 1.00 0.00 H new ATOM 636 N GLY A 42 0.362 6.468 9.845 1.00 0.00 N ATOM 637 CA GLY A 42 0.204 5.961 11.191 1.00 0.00 C ATOM 638 C GLY A 42 -0.676 4.731 11.253 1.00 0.00 C ATOM 639 O GLY A 42 -0.669 4.006 12.250 1.00 0.00 O ATOM 0 H GLY A 42 1.017 5.942 9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.185 5.722 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.224 6.741 11.821 1.00 0.00 H new ATOM 643 N LYS A 43 -1.423 4.482 10.187 1.00 0.00 N ATOM 644 CA LYS A 43 -2.355 3.369 10.158 1.00 0.00 C ATOM 645 C LYS A 43 -1.907 2.313 9.152 1.00 0.00 C ATOM 646 O LYS A 43 -1.074 2.581 8.282 1.00 0.00 O ATOM 647 CB LYS A 43 -3.763 3.880 9.854 1.00 0.00 C ATOM 648 CG LYS A 43 -4.249 4.890 10.883 1.00 0.00 C ATOM 649 CD LYS A 43 -5.730 5.200 10.741 1.00 0.00 C ATOM 650 CE LYS A 43 -6.035 5.955 9.459 1.00 0.00 C ATOM 651 NZ LYS A 43 -7.476 6.311 9.366 1.00 0.00 N ATOM 0 H LYS A 43 -1.400 5.037 9.332 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.372 2.891 11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.774 4.339 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.453 3.037 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.056 4.505 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.677 5.812 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.298 4.270 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.060 5.790 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.432 6.862 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.754 5.345 8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.895 5.847 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.968 5.993 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.574 7.342 9.273 1.00 0.00 H new ATOM 665 N ASN A 44 -2.442 1.108 9.297 1.00 0.00 N ATOM 666 CA ASN A 44 -1.992 -0.041 8.517 1.00 0.00 C ATOM 667 C ASN A 44 -2.789 -0.189 7.227 1.00 0.00 C ATOM 668 O ASN A 44 -4.004 0.007 7.204 1.00 0.00 O ATOM 669 CB ASN A 44 -2.146 -1.318 9.352 1.00 0.00 C ATOM 670 CG ASN A 44 -1.264 -2.454 8.867 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.030 -2.608 7.670 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.754 -3.248 9.795 1.00 0.00 N ATOM 0 H ASN A 44 -3.195 0.898 9.953 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.946 0.119 8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.905 -1.097 10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.188 -1.638 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.143 -4.020 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.971 -3.088 10.779 1.00 0.00 H new ATOM 679 N ILE A 45 -2.082 -0.556 6.163 1.00 0.00 N ATOM 680 CA ILE A 45 -2.698 -0.871 4.880 1.00 0.00 C ATOM 681 C ILE A 45 -3.639 -2.066 5.017 1.00 0.00 C ATOM 682 O ILE A 45 -4.623 -2.180 4.290 1.00 0.00 O ATOM 683 CB ILE A 45 -1.622 -1.174 3.805 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.270 -1.478 2.450 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.727 -2.328 4.242 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.271 -1.690 1.333 1.00 0.00 C ATOM 0 H ILE A 45 -1.066 -0.643 6.166 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.270 0.001 4.563 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.002 -0.284 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.890 -2.369 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.933 -0.656 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.019 -2.521 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.227 -2.067 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.333 -3.221 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.802 -1.900 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.667 -0.791 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.623 -2.531 1.579 1.00 0.00 H new ATOM 698 N VAL A 46 -3.341 -2.941 5.971 1.00 0.00 N ATOM 699 CA VAL A 46 -4.163 -4.112 6.216 1.00 0.00 C ATOM 700 C VAL A 46 -5.499 -3.704 6.837 1.00 0.00 C ATOM 701 O VAL A 46 -6.521 -4.342 6.605 1.00 0.00 O ATOM 702 CB VAL A 46 -3.436 -5.117 7.136 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.308 -6.330 7.427 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.114 -5.550 6.518 1.00 0.00 C ATOM 0 H VAL A 46 -2.533 -2.858 6.587 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.350 -4.598 5.259 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.232 -4.615 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.768 -7.019 8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.225 -6.009 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.556 -6.833 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.617 -6.258 7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.301 -6.025 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.476 -4.678 6.375 1.00 0.00 H new ATOM 714 N GLU A 47 -5.490 -2.606 7.589 1.00 0.00 N ATOM 715 CA GLU A 47 -6.706 -2.097 8.220 1.00 0.00 C ATOM 716 C GLU A 47 -7.681 -1.589 7.169 1.00 0.00 C ATOM 717 O GLU A 47 -8.891 -1.544 7.393 1.00 0.00 O ATOM 718 CB GLU A 47 -6.379 -0.968 9.199 1.00 0.00 C ATOM 719 CG GLU A 47 -5.784 -1.450 10.509 1.00 0.00 C ATOM 720 CD GLU A 47 -6.770 -2.268 11.315 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.605 -1.670 12.028 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.716 -3.513 11.243 1.00 0.00 O ATOM 0 H GLU A 47 -4.655 -2.052 7.776 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.166 -2.919 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.680 -0.279 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.289 -0.406 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.897 -2.050 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.460 -0.591 11.097 1.00 0.00 H new ATOM 729 N PHE A 48 -7.145 -1.212 6.020 1.00 0.00 N ATOM 730 CA PHE A 48 -7.958 -0.699 4.935 1.00 0.00 C ATOM 731 C PHE A 48 -7.912 -1.650 3.757 1.00 0.00 C ATOM 732 O PHE A 48 -8.186 -1.270 2.620 1.00 0.00 O ATOM 733 CB PHE A 48 -7.477 0.690 4.522 1.00 0.00 C ATOM 734 CG PHE A 48 -7.411 1.641 5.677 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.533 1.886 6.449 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.222 2.268 6.008 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.475 2.744 7.525 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.158 3.125 7.086 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.287 3.361 7.845 1.00 0.00 C ATOM 0 H PHE A 48 -6.146 -1.253 5.816 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.990 -0.617 5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.490 0.609 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.147 1.092 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.465 1.399 6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.337 2.084 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.359 2.932 8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.227 3.611 7.336 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.238 4.031 8.691 1.00 0.00 H new ATOM 749 N CYS A 49 -7.544 -2.885 4.037 1.00 0.00 N ATOM 750 CA CYS A 49 -7.542 -3.919 3.024 1.00 0.00 C ATOM 751 C CYS A 49 -8.832 -4.722 3.097 1.00 0.00 C ATOM 752 O CYS A 49 -9.401 -4.897 4.177 1.00 0.00 O ATOM 753 CB CYS A 49 -6.340 -4.845 3.206 1.00 0.00 C ATOM 754 SG CYS A 49 -6.235 -6.163 1.971 1.00 0.00 S ATOM 0 H CYS A 49 -7.242 -3.196 4.960 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.471 -3.445 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.427 -4.251 3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.386 -5.293 4.198 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.782 -5.676 0.854 1.00 0.00 H new ATOM 760 N HIS A 50 -9.311 -5.161 1.937 1.00 0.00 N ATOM 761 CA HIS A 50 -10.453 -6.067 1.847 1.00 0.00 C ATOM 762 C HIS A 50 -10.312 -7.177 2.888 1.00 0.00 C ATOM 763 O HIS A 50 -9.279 -7.832 2.956 1.00 0.00 O ATOM 764 CB HIS A 50 -10.518 -6.654 0.431 1.00 0.00 C ATOM 765 CG HIS A 50 -11.744 -7.460 0.133 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.702 -8.775 -0.286 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.052 -7.121 0.162 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.932 -9.204 -0.500 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.769 -8.222 -0.233 1.00 0.00 N ATOM 0 H HIS A 50 -8.919 -4.899 1.032 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.377 -5.524 2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.456 -5.837 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.642 -7.283 0.275 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.458 -6.161 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.206 -10.193 -0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.785 -8.272 -0.308 1.00 0.00 H new ATOM 778 N PRO A 51 -11.347 -7.381 3.724 1.00 0.00 N ATOM 779 CA PRO A 51 -11.294 -8.328 4.856 1.00 0.00 C ATOM 780 C PRO A 51 -10.935 -9.753 4.440 1.00 0.00 C ATOM 781 O PRO A 51 -10.512 -10.560 5.262 1.00 0.00 O ATOM 782 CB PRO A 51 -12.713 -8.286 5.437 1.00 0.00 C ATOM 783 CG PRO A 51 -13.555 -7.642 4.387 1.00 0.00 C ATOM 784 CD PRO A 51 -12.648 -6.702 3.653 1.00 0.00 C ATOM 0 HA PRO A 51 -10.515 -8.044 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.072 -9.289 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.740 -7.716 6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.975 -8.387 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.394 -7.107 4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.970 -6.552 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.617 -5.719 4.124 1.00 0.00 H new ATOM 792 N GLU A 52 -11.092 -10.047 3.159 1.00 0.00 N ATOM 793 CA GLU A 52 -10.782 -11.367 2.638 1.00 0.00 C ATOM 794 C GLU A 52 -9.384 -11.379 2.024 1.00 0.00 C ATOM 795 O GLU A 52 -8.872 -12.429 1.651 1.00 0.00 O ATOM 796 CB GLU A 52 -11.806 -11.760 1.578 1.00 0.00 C ATOM 797 CG GLU A 52 -13.250 -11.572 2.012 1.00 0.00 C ATOM 798 CD GLU A 52 -13.643 -12.477 3.156 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.459 -12.082 4.322 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.151 -13.586 2.888 1.00 0.00 O ATOM 0 H GLU A 52 -11.433 -9.387 2.460 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.816 -12.083 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.628 -11.169 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.652 -12.805 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.403 -10.534 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.907 -11.762 1.163 1.00 0.00 H new ATOM 807 N ASP A 53 -8.763 -10.205 1.943 1.00 0.00 N ATOM 808 CA ASP A 53 -7.490 -10.053 1.243 1.00 0.00 C ATOM 809 C ASP A 53 -6.414 -9.636 2.234 1.00 0.00 C ATOM 810 O ASP A 53 -5.253 -9.443 1.870 1.00 0.00 O ATOM 811 CB ASP A 53 -7.576 -8.988 0.135 1.00 0.00 C ATOM 812 CG ASP A 53 -8.698 -9.202 -0.867 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.370 -10.251 -0.832 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.942 -8.292 -1.685 1.00 0.00 O ATOM 0 H ASP A 53 -9.122 -9.343 2.354 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.245 -11.012 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.704 -8.010 0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.628 -8.965 -0.402 1.00 0.00 H new ATOM 819 N GLN A 54 -6.809 -9.488 3.491 1.00 0.00 N ATOM 820 CA GLN A 54 -5.882 -9.074 4.533 1.00 0.00 C ATOM 821 C GLN A 54 -4.885 -10.192 4.815 1.00 0.00 C ATOM 822 O GLN A 54 -3.725 -9.943 5.145 1.00 0.00 O ATOM 823 CB GLN A 54 -6.650 -8.662 5.794 1.00 0.00 C ATOM 824 CG GLN A 54 -7.380 -7.334 5.626 1.00 0.00 C ATOM 825 CD GLN A 54 -8.189 -6.903 6.839 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.883 -7.267 7.976 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.211 -6.086 6.600 1.00 0.00 N ATOM 0 H GLN A 54 -7.764 -9.648 3.813 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.320 -8.204 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.371 -9.440 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.955 -8.588 6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.649 -6.558 5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.047 -7.406 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.430 -5.810 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.776 -5.736 7.374 1.00 0.00 H new ATOM 836 N GLN A 55 -5.347 -11.424 4.658 1.00 0.00 N ATOM 837 CA GLN A 55 -4.479 -12.589 4.706 1.00 0.00 C ATOM 838 C GLN A 55 -3.539 -12.562 3.502 1.00 0.00 C ATOM 839 O GLN A 55 -2.336 -12.782 3.635 1.00 0.00 O ATOM 840 CB GLN A 55 -5.343 -13.858 4.702 1.00 0.00 C ATOM 841 CG GLN A 55 -4.647 -15.136 5.169 1.00 0.00 C ATOM 842 CD GLN A 55 -3.679 -15.717 4.153 1.00 0.00 C ATOM 843 OE1 GLN A 55 -2.401 -15.432 4.319 1.00 0.00 O flip ATOM 844 NE2 GLN A 55 -4.076 -16.460 3.258 1.00 0.00 N flip ATOM 0 H GLN A 55 -6.330 -11.643 4.495 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.878 -12.581 5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.211 -13.686 5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.716 -14.018 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.107 -14.927 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.403 -15.885 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.072 -16.656 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.409 -16.881 2.611 1.00 0.00 H new ATOM 853 N LEU A 56 -4.102 -12.254 2.334 1.00 0.00 N ATOM 854 CA LEU A 56 -3.330 -12.168 1.095 1.00 0.00 C ATOM 855 C LEU A 56 -2.185 -11.167 1.254 1.00 0.00 C ATOM 856 O LEU A 56 -1.044 -11.445 0.877 1.00 0.00 O ATOM 857 CB LEU A 56 -4.251 -11.757 -0.065 1.00 0.00 C ATOM 858 CG LEU A 56 -3.883 -12.302 -1.452 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.970 -11.958 -2.455 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.550 -11.750 -1.927 1.00 0.00 C ATOM 0 H LEU A 56 -5.097 -12.059 2.220 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.902 -13.145 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.265 -12.081 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.268 -10.668 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.794 -13.385 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.698 -12.350 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.913 -12.402 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.080 -10.875 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.319 -12.155 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.607 -10.663 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.767 -12.035 -1.224 1.00 0.00 H new ATOM 872 N LEU A 57 -2.495 -10.005 1.819 1.00 0.00 N ATOM 873 CA LEU A 57 -1.470 -9.012 2.125 1.00 0.00 C ATOM 874 C LEU A 57 -0.465 -9.567 3.115 1.00 0.00 C ATOM 875 O LEU A 57 0.738 -9.423 2.922 1.00 0.00 O ATOM 876 CB LEU A 57 -2.077 -7.727 2.691 1.00 0.00 C ATOM 877 CG LEU A 57 -2.560 -6.717 1.653 1.00 0.00 C ATOM 878 CD1 LEU A 57 -2.968 -5.421 2.332 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.475 -6.456 0.620 1.00 0.00 C ATOM 0 H LEU A 57 -3.443 -9.728 2.074 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.967 -8.774 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.918 -7.994 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.334 -7.243 3.325 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.429 -7.132 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.310 -4.709 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.774 -5.619 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.113 -5.004 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.836 -5.734 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.589 -6.059 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.221 -7.388 0.116 1.00 0.00 H new ATOM 891 N ARG A 58 -0.967 -10.214 4.163 1.00 0.00 N ATOM 892 CA ARG A 58 -0.114 -10.788 5.197 1.00 0.00 C ATOM 893 C ARG A 58 0.938 -11.697 4.576 1.00 0.00 C ATOM 894 O ARG A 58 2.133 -11.505 4.778 1.00 0.00 O ATOM 895 CB ARG A 58 -0.959 -11.574 6.199 1.00 0.00 C ATOM 896 CG ARG A 58 -0.169 -12.141 7.364 1.00 0.00 C ATOM 897 CD ARG A 58 -1.064 -12.935 8.300 1.00 0.00 C ATOM 898 NE ARG A 58 -0.353 -13.375 9.499 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.925 -13.511 10.696 1.00 0.00 C ATOM 900 NH1 ARG A 58 -2.224 -13.277 10.845 1.00 0.00 N ATOM 901 NH2 ARG A 58 -0.202 -13.885 11.745 1.00 0.00 N ATOM 0 H ARG A 58 -1.965 -10.354 4.318 1.00 0.00 H new ATOM 0 HA ARG A 58 0.392 -9.976 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.742 -10.923 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.455 -12.393 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.628 -12.782 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.307 -11.329 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.918 -12.323 8.590 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.458 -13.804 7.773 1.00 0.00 H new ATOM 0 HE ARG A 58 0.640 -13.591 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.786 -12.993 10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.659 -13.382 11.762 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.795 -14.070 11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.644 -13.988 12.659 1.00 0.00 H new ATOM 915 N ASP A 59 0.474 -12.666 3.796 1.00 0.00 N ATOM 916 CA ASP A 59 1.357 -13.608 3.114 1.00 0.00 C ATOM 917 C ASP A 59 2.371 -12.890 2.245 1.00 0.00 C ATOM 918 O ASP A 59 3.564 -13.154 2.317 1.00 0.00 O ATOM 919 CB ASP A 59 0.543 -14.546 2.233 1.00 0.00 C ATOM 920 CG ASP A 59 1.415 -15.382 1.310 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.254 -16.160 1.816 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.270 -15.255 0.074 1.00 0.00 O ATOM 0 H ASP A 59 -0.518 -12.822 3.618 1.00 0.00 H new ATOM 0 HA ASP A 59 1.885 -14.172 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.051 -15.207 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.157 -13.962 1.636 1.00 0.00 H new ATOM 927 N SER A 60 1.881 -11.967 1.443 1.00 0.00 N ATOM 928 CA SER A 60 2.694 -11.307 0.442 1.00 0.00 C ATOM 929 C SER A 60 3.744 -10.413 1.089 1.00 0.00 C ATOM 930 O SER A 60 4.861 -10.278 0.579 1.00 0.00 O ATOM 931 CB SER A 60 1.782 -10.517 -0.484 1.00 0.00 C ATOM 932 OG SER A 60 0.886 -11.383 -1.159 1.00 0.00 O ATOM 0 H SER A 60 0.911 -11.654 1.466 1.00 0.00 H new ATOM 0 HA SER A 60 3.235 -12.054 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.221 -9.780 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.380 -9.966 -1.210 1.00 0.00 H new ATOM 0 HG SER A 60 0.166 -11.649 -0.549 1.00 0.00 H new ATOM 938 N PHE A 61 3.396 -9.827 2.224 1.00 0.00 N ATOM 939 CA PHE A 61 4.342 -9.033 2.984 1.00 0.00 C ATOM 940 C PHE A 61 5.403 -9.937 3.593 1.00 0.00 C ATOM 941 O PHE A 61 6.576 -9.581 3.657 1.00 0.00 O ATOM 942 CB PHE A 61 3.621 -8.231 4.072 1.00 0.00 C ATOM 943 CG PHE A 61 2.795 -7.091 3.539 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.080 -6.528 2.305 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.745 -6.573 4.280 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.334 -5.471 1.820 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.993 -5.518 3.798 1.00 0.00 C ATOM 948 CZ PHE A 61 1.288 -4.967 2.567 1.00 0.00 C ATOM 0 H PHE A 61 2.465 -9.888 2.637 1.00 0.00 H new ATOM 0 HA PHE A 61 4.829 -8.325 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.975 -8.902 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.360 -7.837 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.895 -6.920 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.512 -6.998 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.569 -5.040 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.175 -5.125 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.701 -4.143 2.189 1.00 0.00 H new ATOM 958 N GLN A 62 4.987 -11.130 4.001 1.00 0.00 N ATOM 959 CA GLN A 62 5.905 -12.122 4.532 1.00 0.00 C ATOM 960 C GLN A 62 6.852 -12.577 3.433 1.00 0.00 C ATOM 961 O GLN A 62 8.046 -12.779 3.661 1.00 0.00 O ATOM 962 CB GLN A 62 5.129 -13.322 5.077 1.00 0.00 C ATOM 963 CG GLN A 62 4.256 -13.003 6.279 1.00 0.00 C ATOM 964 CD GLN A 62 5.069 -12.672 7.514 1.00 0.00 C ATOM 965 OE1 GLN A 62 5.427 -11.520 7.750 1.00 0.00 O ATOM 966 NE2 GLN A 62 5.367 -13.686 8.310 1.00 0.00 N ATOM 0 H GLN A 62 4.013 -11.432 3.973 1.00 0.00 H new ATOM 0 HA GLN A 62 6.479 -11.677 5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.501 -13.726 4.283 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.837 -14.104 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.606 -12.161 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.609 -13.855 6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.050 -14.627 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.914 -13.526 9.156 1.00 0.00 H new ATOM 975 N GLN A 63 6.300 -12.719 2.234 1.00 0.00 N ATOM 976 CA GLN A 63 7.064 -13.153 1.080 1.00 0.00 C ATOM 977 C GLN A 63 8.176 -12.169 0.754 1.00 0.00 C ATOM 978 O GLN A 63 9.312 -12.572 0.569 1.00 0.00 O ATOM 979 CB GLN A 63 6.166 -13.335 -0.139 1.00 0.00 C ATOM 980 CG GLN A 63 5.102 -14.398 0.053 1.00 0.00 C ATOM 981 CD GLN A 63 5.673 -15.782 0.308 1.00 0.00 C ATOM 982 OE1 GLN A 63 6.764 -16.113 -0.153 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.926 -16.602 1.030 1.00 0.00 N ATOM 0 H GLN A 63 5.316 -12.537 2.039 1.00 0.00 H new ATOM 0 HA GLN A 63 7.511 -14.114 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.683 -12.386 -0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.782 -13.598 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.464 -14.116 0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.468 -14.432 -0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.027 -16.286 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.250 -17.550 1.223 1.00 0.00 H new ATOM 992 N VAL A 64 7.855 -10.876 0.701 1.00 0.00 N ATOM 993 CA VAL A 64 8.850 -9.873 0.328 1.00 0.00 C ATOM 994 C VAL A 64 9.910 -9.699 1.421 1.00 0.00 C ATOM 995 O VAL A 64 11.037 -9.281 1.144 1.00 0.00 O ATOM 996 CB VAL A 64 8.211 -8.504 -0.025 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.679 -7.788 1.207 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.212 -7.629 -0.765 1.00 0.00 C ATOM 0 H VAL A 64 6.928 -10.503 0.908 1.00 0.00 H new ATOM 0 HA VAL A 64 9.337 -10.249 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 64 7.359 -8.697 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.241 -6.834 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.918 -8.405 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.496 -7.611 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.750 -6.672 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.085 -7.462 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.519 -8.126 -1.685 1.00 0.00 H new ATOM 1008 N VAL A 65 9.559 -10.028 2.661 1.00 0.00 N ATOM 1009 CA VAL A 65 10.534 -10.019 3.747 1.00 0.00 C ATOM 1010 C VAL A 65 11.472 -11.219 3.610 1.00 0.00 C ATOM 1011 O VAL A 65 12.602 -11.207 4.093 1.00 0.00 O ATOM 1012 CB VAL A 65 9.851 -10.029 5.141 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.881 -10.096 6.260 1.00 0.00 C ATOM 1014 CG2 VAL A 65 8.978 -8.796 5.313 1.00 0.00 C ATOM 0 H VAL A 65 8.616 -10.302 2.937 1.00 0.00 H new ATOM 0 HA VAL A 65 11.107 -9.095 3.672 1.00 0.00 H new ATOM 0 HB VAL A 65 9.226 -10.920 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.372 -10.101 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.472 -11.006 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.538 -9.228 6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.506 -8.818 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.593 -7.900 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.208 -8.785 4.541 1.00 0.00 H new ATOM 1024 N LYS A 66 10.999 -12.250 2.934 1.00 0.00 N ATOM 1025 CA LYS A 66 11.826 -13.407 2.626 1.00 0.00 C ATOM 1026 C LYS A 66 12.571 -13.189 1.313 1.00 0.00 C ATOM 1027 O LYS A 66 13.723 -13.587 1.158 1.00 0.00 O ATOM 1028 CB LYS A 66 10.958 -14.662 2.548 1.00 0.00 C ATOM 1029 CG LYS A 66 10.362 -15.067 3.886 1.00 0.00 C ATOM 1030 CD LYS A 66 9.403 -16.234 3.746 1.00 0.00 C ATOM 1031 CE LYS A 66 9.117 -16.883 5.092 1.00 0.00 C ATOM 1032 NZ LYS A 66 8.376 -15.979 6.009 1.00 0.00 N ATOM 0 H LYS A 66 10.042 -12.312 2.586 1.00 0.00 H new ATOM 0 HA LYS A 66 12.561 -13.539 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.151 -14.493 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.557 -15.486 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.163 -15.336 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.838 -14.217 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.470 -15.888 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.825 -16.974 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.539 -17.794 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.057 -17.178 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.205 -16.465 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.938 -15.120 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.466 -15.718 5.578 1.00 0.00 H new ATOM 1046 N LEU A 67 11.903 -12.527 0.381 1.00 0.00 N ATOM 1047 CA LEU A 67 12.456 -12.236 -0.934 1.00 0.00 C ATOM 1048 C LEU A 67 13.196 -10.904 -0.935 1.00 0.00 C ATOM 1049 O LEU A 67 13.217 -10.222 -1.952 1.00 0.00 O ATOM 1050 CB LEU A 67 11.348 -12.208 -1.996 1.00 0.00 C ATOM 1051 CG LEU A 67 10.596 -13.524 -2.195 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.611 -13.404 -3.344 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.570 -14.668 -2.442 1.00 0.00 C ATOM 0 H LEU A 67 10.956 -12.174 0.516 1.00 0.00 H new ATOM 0 HA LEU A 67 13.162 -13.030 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.628 -11.435 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.789 -11.913 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 67 10.038 -13.742 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.084 -14.350 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.892 -12.615 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.149 -13.161 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.014 -15.595 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.157 -14.459 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.237 -14.769 -1.586 1.00 0.00 H new ATOM 1065 N LYS A 68 13.754 -10.530 0.222 1.00 0.00 N ATOM 1066 CA LYS A 68 14.478 -9.262 0.398 1.00 0.00 C ATOM 1067 C LYS A 68 15.245 -8.844 -0.856 1.00 0.00 C ATOM 1068 O LYS A 68 16.252 -9.459 -1.216 1.00 0.00 O ATOM 1069 CB LYS A 68 15.457 -9.370 1.567 1.00 0.00 C ATOM 1070 CG LYS A 68 14.777 -9.515 2.914 1.00 0.00 C ATOM 1071 CD LYS A 68 15.785 -9.727 4.031 1.00 0.00 C ATOM 1072 CE LYS A 68 15.098 -9.830 5.383 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.068 -10.091 6.478 1.00 0.00 N ATOM 0 H LYS A 68 13.717 -11.100 1.067 1.00 0.00 H new ATOM 0 HA LYS A 68 13.726 -8.499 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.111 -10.227 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.091 -8.484 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.186 -8.623 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.085 -10.356 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.356 -10.636 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.496 -8.901 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.559 -8.905 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.358 -10.630 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.560 -10.154 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.564 -10.986 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.759 -9.315 6.522 1.00 0.00 H new ATOM 1087 N GLY A 69 14.751 -7.804 -1.516 1.00 0.00 N ATOM 1088 CA GLY A 69 15.409 -7.288 -2.700 1.00 0.00 C ATOM 1089 C GLY A 69 14.621 -7.530 -3.975 1.00 0.00 C ATOM 1090 O GLY A 69 14.872 -6.885 -4.995 1.00 0.00 O ATOM 0 H GLY A 69 13.901 -7.306 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.573 -6.217 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.391 -7.752 -2.794 1.00 0.00 H new ATOM 1094 N GLN A 70 13.679 -8.464 -3.929 1.00 0.00 N ATOM 1095 CA GLN A 70 12.866 -8.792 -5.090 1.00 0.00 C ATOM 1096 C GLN A 70 11.552 -8.027 -5.066 1.00 0.00 C ATOM 1097 O GLN A 70 10.958 -7.827 -4.007 1.00 0.00 O ATOM 1098 CB GLN A 70 12.578 -10.296 -5.136 1.00 0.00 C ATOM 1099 CG GLN A 70 13.803 -11.160 -5.384 1.00 0.00 C ATOM 1100 CD GLN A 70 14.457 -10.869 -6.720 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.102 -11.453 -7.742 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.433 -9.976 -6.720 1.00 0.00 N ATOM 0 H GLN A 70 13.460 -9.009 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 70 13.426 -8.505 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 70 12.121 -10.596 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.846 -10.490 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.527 -10.997 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.517 -12.211 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.700 -9.512 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.919 -9.752 -7.588 1.00 0.00 H new ATOM 1111 N VAL A 71 11.111 -7.598 -6.240 1.00 0.00 N ATOM 1112 CA VAL A 71 9.824 -6.936 -6.375 1.00 0.00 C ATOM 1113 C VAL A 71 8.696 -7.966 -6.345 1.00 0.00 C ATOM 1114 O VAL A 71 8.584 -8.808 -7.241 1.00 0.00 O ATOM 1115 CB VAL A 71 9.740 -6.125 -7.685 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.404 -5.404 -7.787 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.895 -5.137 -7.777 1.00 0.00 C ATOM 0 H VAL A 71 11.628 -7.697 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 71 9.718 -6.248 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 71 9.816 -6.818 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.366 -4.838 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.595 -6.134 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.293 -4.722 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.819 -4.574 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.854 -4.449 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.840 -5.679 -7.757 1.00 0.00 H new ATOM 1127 N LEU A 72 7.871 -7.894 -5.312 1.00 0.00 N ATOM 1128 CA LEU A 72 6.774 -8.837 -5.140 1.00 0.00 C ATOM 1129 C LEU A 72 5.451 -8.101 -5.318 1.00 0.00 C ATOM 1130 O LEU A 72 5.093 -7.261 -4.504 1.00 0.00 O ATOM 1131 CB LEU A 72 6.854 -9.460 -3.737 1.00 0.00 C ATOM 1132 CG LEU A 72 6.179 -10.827 -3.554 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.666 -10.732 -3.687 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.742 -11.825 -4.549 1.00 0.00 C ATOM 0 H LEU A 72 7.940 -7.190 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 72 6.843 -9.632 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.905 -9.560 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.409 -8.762 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 72 6.394 -11.173 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.226 -11.720 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.276 -10.054 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.411 -10.354 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.256 -12.791 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.560 -11.470 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.815 -11.932 -4.389 1.00 0.00 H new ATOM 1146 N SER A 73 4.718 -8.432 -6.362 1.00 0.00 N ATOM 1147 CA SER A 73 3.479 -7.737 -6.658 1.00 0.00 C ATOM 1148 C SER A 73 2.296 -8.432 -5.994 1.00 0.00 C ATOM 1149 O SER A 73 2.044 -9.616 -6.223 1.00 0.00 O ATOM 1150 CB SER A 73 3.286 -7.650 -8.172 1.00 0.00 C ATOM 1151 OG SER A 73 3.398 -8.923 -8.782 1.00 0.00 O ATOM 0 H SER A 73 4.957 -9.175 -7.018 1.00 0.00 H new ATOM 0 HA SER A 73 3.535 -6.726 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.307 -7.225 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.029 -6.975 -8.597 1.00 0.00 H new ATOM 0 HG SER A 73 2.969 -9.597 -8.214 1.00 0.00 H new ATOM 1157 N VAL A 74 1.583 -7.694 -5.163 1.00 0.00 N ATOM 1158 CA VAL A 74 0.416 -8.221 -4.480 1.00 0.00 C ATOM 1159 C VAL A 74 -0.815 -7.476 -4.911 1.00 0.00 C ATOM 1160 O VAL A 74 -0.846 -6.248 -4.949 1.00 0.00 O ATOM 1161 CB VAL A 74 0.567 -8.170 -2.939 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.937 -6.771 -2.468 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.707 -8.643 -2.253 1.00 0.00 C ATOM 0 H VAL A 74 1.794 -6.720 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 74 0.319 -9.270 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 74 1.377 -8.845 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.036 -6.767 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.883 -6.473 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.157 -6.069 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.576 -8.598 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.538 -8.000 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.921 -9.670 -2.550 1.00 0.00 H new ATOM 1173 N MET A 75 -1.821 -8.233 -5.258 1.00 0.00 N ATOM 1174 CA MET A 75 -3.022 -7.665 -5.788 1.00 0.00 C ATOM 1175 C MET A 75 -4.174 -7.917 -4.831 1.00 0.00 C ATOM 1176 O MET A 75 -4.450 -9.057 -4.464 1.00 0.00 O ATOM 1177 CB MET A 75 -3.308 -8.252 -7.161 1.00 0.00 C ATOM 1178 CG MET A 75 -4.319 -7.441 -7.926 1.00 0.00 C ATOM 1179 SD MET A 75 -4.740 -8.162 -9.523 1.00 0.00 S ATOM 1180 CE MET A 75 -5.826 -6.900 -10.188 1.00 0.00 C ATOM 0 H MET A 75 -1.828 -9.250 -5.181 1.00 0.00 H new ATOM 0 HA MET A 75 -2.901 -6.587 -5.899 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.381 -8.306 -7.732 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.673 -9.273 -7.049 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.225 -7.343 -7.328 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.928 -6.435 -8.080 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.873 -6.996 -11.273 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.825 -7.022 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.441 -5.914 -9.927 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.832 -6.846 -4.439 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.858 -6.904 -3.414 1.00 0.00 C ATOM 1192 C PHE A 76 -6.861 -5.781 -3.620 1.00 0.00 C ATOM 1193 O PHE A 76 -6.716 -4.971 -4.537 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.221 -6.799 -2.019 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.485 -5.508 -1.780 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.214 -5.313 -2.298 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.064 -4.491 -1.039 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.538 -4.131 -2.084 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.392 -3.305 -0.822 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.128 -3.124 -1.345 1.00 0.00 C ATOM 0 H PHE A 76 -4.673 -5.913 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.378 -7.859 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.001 -6.906 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.530 -7.631 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.748 -6.097 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.053 -4.628 -0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.548 -3.992 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.855 -2.519 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.601 -2.197 -1.177 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.871 -5.731 -2.773 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.883 -4.701 -2.863 1.00 0.00 C ATOM 1212 C ARG A 77 -8.711 -3.682 -1.742 1.00 0.00 C ATOM 1213 O ARG A 77 -8.996 -3.965 -0.578 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.270 -5.337 -2.841 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.653 -5.964 -4.172 1.00 0.00 C ATOM 1216 CD ARG A 77 -11.621 -7.122 -4.002 1.00 0.00 C ATOM 1217 NE ARG A 77 -10.960 -8.313 -3.463 1.00 0.00 N ATOM 1218 CZ ARG A 77 -11.238 -9.558 -3.849 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -12.167 -9.780 -4.772 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -10.583 -10.579 -3.307 1.00 0.00 N ATOM 0 H ARG A 77 -8.011 -6.396 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.771 -4.166 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.302 -6.100 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.008 -4.580 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.104 -5.206 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.754 -6.315 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.430 -6.823 -3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.072 -7.362 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.244 -8.181 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.670 -8.996 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.377 -10.734 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.870 -10.409 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.793 -11.533 -3.600 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.234 -2.498 -2.113 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.956 -1.423 -1.166 1.00 0.00 C ATOM 1236 C PHE A 78 -9.244 -0.667 -0.873 1.00 0.00 C ATOM 1237 O PHE A 78 -10.004 -0.351 -1.791 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.931 -0.470 -1.794 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.097 0.332 -0.825 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.656 1.327 -0.036 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.733 0.109 -0.741 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.867 2.078 0.817 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -3.942 0.851 0.114 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.507 1.838 0.889 1.00 0.00 C ATOM 0 H PHE A 78 -8.029 -2.256 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.560 -1.832 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.260 -1.053 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.461 0.223 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.718 1.517 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.281 -0.657 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.313 2.851 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.881 0.657 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.889 2.424 1.553 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.499 -0.391 0.395 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.708 0.316 0.781 1.00 0.00 C ATOM 1256 C ARG A 79 -10.539 1.818 0.598 1.00 0.00 C ATOM 1257 O ARG A 79 -9.888 2.476 1.399 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.064 0.024 2.236 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.526 0.273 2.562 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.750 0.348 4.061 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.085 1.513 4.649 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.311 1.971 5.884 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.173 1.356 6.686 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.670 3.051 6.310 1.00 0.00 N ATOM 0 H ARG A 79 -8.888 -0.644 1.171 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.514 -0.034 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.822 -1.015 2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.444 0.643 2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.852 1.203 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.136 -0.526 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.819 0.396 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.375 -0.561 4.531 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.402 2.009 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.669 0.526 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.338 1.713 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.009 3.527 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.838 3.406 7.251 1.00 0.00 H new ATOM 1278 N SER A 80 -11.114 2.333 -0.474 1.00 0.00 N ATOM 1279 CA SER A 80 -11.187 3.766 -0.723 1.00 0.00 C ATOM 1280 C SER A 80 -11.918 4.486 0.420 1.00 0.00 C ATOM 1281 O SER A 80 -12.489 3.855 1.316 1.00 0.00 O ATOM 1282 CB SER A 80 -11.909 4.007 -2.054 1.00 0.00 C ATOM 1283 OG SER A 80 -12.028 5.390 -2.350 1.00 0.00 O ATOM 0 H SER A 80 -11.547 1.766 -1.203 1.00 0.00 H new ATOM 0 HA SER A 80 -10.176 4.170 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.365 3.510 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.901 3.558 -2.015 1.00 0.00 H new ATOM 0 HG SER A 80 -12.492 5.503 -3.206 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.922 5.815 0.356 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.454 6.654 1.425 1.00 0.00 C ATOM 1291 C LYS A 81 -13.977 6.566 1.501 1.00 0.00 C ATOM 1292 O LYS A 81 -14.590 7.058 2.446 1.00 0.00 O ATOM 1293 CB LYS A 81 -12.028 8.112 1.213 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.293 9.008 2.416 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.398 8.638 3.586 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.846 9.303 4.878 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.977 10.776 4.748 1.00 0.00 N ATOM 0 H LYS A 81 -11.556 6.340 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.047 6.289 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.964 8.140 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.556 8.514 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.124 10.049 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.338 8.922 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.400 7.556 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.372 8.931 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.804 8.883 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.130 9.074 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.118 11.196 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.112 11.165 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.793 11.000 4.143 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.583 5.913 0.520 1.00 0.00 N ATOM 1312 CA ASN A 82 -16.028 5.722 0.516 1.00 0.00 C ATOM 1313 C ASN A 82 -16.336 4.327 1.030 1.00 0.00 C ATOM 1314 O ASN A 82 -17.473 3.855 0.964 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.620 5.908 -0.884 1.00 0.00 C ATOM 1316 CG ASN A 82 -16.254 7.241 -1.506 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.895 8.261 -1.251 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.236 7.237 -2.352 1.00 0.00 N ATOM 0 H ASN A 82 -14.100 5.507 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.481 6.474 1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.271 5.103 -1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.705 5.824 -0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.958 8.100 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.730 6.371 -2.537 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.288 3.678 1.539 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.367 2.328 2.083 1.00 0.00 C ATOM 1327 C GLN A 83 -15.735 1.327 0.997 1.00 0.00 C ATOM 1328 O GLN A 83 -16.583 0.457 1.186 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.342 2.255 3.264 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.784 2.846 4.558 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.441 4.323 4.453 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.288 5.184 4.685 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.190 4.624 4.120 1.00 0.00 N ATOM 0 H GLN A 83 -14.352 4.082 1.584 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.380 2.063 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.259 2.782 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.612 1.213 3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.514 2.707 5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.889 2.293 4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.518 3.879 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.902 5.600 4.049 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.089 1.472 -0.149 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.252 0.550 -1.248 1.00 0.00 C ATOM 1344 C GLU A 84 -13.924 -0.127 -1.542 1.00 0.00 C ATOM 1345 O GLU A 84 -12.873 0.478 -1.377 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.762 1.302 -2.475 1.00 0.00 C ATOM 1347 CG GLU A 84 -14.874 2.466 -2.884 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.480 3.316 -3.981 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.270 3.002 -5.172 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -16.164 4.308 -3.652 1.00 0.00 O ATOM 0 H GLU A 84 -14.438 2.234 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.981 -0.216 -0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.843 0.606 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.766 1.675 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.680 3.091 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.911 2.081 -3.220 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.965 -1.372 -1.980 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.757 -2.163 -2.129 1.00 0.00 C ATOM 1359 C TRP A 85 -12.395 -2.308 -3.607 1.00 0.00 C ATOM 1360 O TRP A 85 -12.991 -3.108 -4.318 1.00 0.00 O ATOM 1361 CB TRP A 85 -12.979 -3.540 -1.497 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.766 -3.482 -0.218 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.126 -3.535 -0.099 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.254 -3.360 1.117 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.486 -3.441 1.220 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.361 -3.340 1.987 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.973 -3.266 1.661 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -14.223 -3.229 3.369 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.838 -3.159 3.034 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.957 -3.142 3.874 1.00 0.00 C ATOM 0 H TRP A 85 -14.823 -1.858 -2.239 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.931 -1.662 -1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.501 -4.180 -2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.012 -4.003 -1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.816 -3.636 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.443 -3.446 1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.102 -3.277 1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -15.086 -3.212 4.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.850 -3.087 3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -12.817 -3.059 4.942 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.426 -1.525 -4.059 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.035 -1.508 -5.469 1.00 0.00 C ATOM 1383 C LEU A 86 -9.721 -2.263 -5.694 1.00 0.00 C ATOM 1384 O LEU A 86 -8.921 -2.415 -4.778 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.940 -0.054 -5.960 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.389 0.963 -4.950 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.883 0.831 -4.799 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.768 2.374 -5.364 1.00 0.00 C ATOM 0 H LEU A 86 -10.891 -0.888 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.798 -2.024 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.309 -0.032 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.934 0.271 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.837 0.753 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.524 1.565 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.639 -0.172 -4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.404 1.005 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.371 3.085 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.352 2.589 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.854 2.463 -5.402 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.498 -2.720 -6.924 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.354 -3.580 -7.226 1.00 0.00 C ATOM 1402 C TRP A 87 -7.065 -2.787 -7.349 1.00 0.00 C ATOM 1403 O TRP A 87 -6.871 -2.029 -8.297 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.577 -4.371 -8.516 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.433 -5.580 -8.342 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -10.715 -5.742 -8.768 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.065 -6.805 -7.701 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.171 -6.989 -8.430 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.174 -7.663 -7.774 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -7.902 -7.259 -7.071 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -10.157 -8.947 -7.241 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -7.887 -8.534 -6.541 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -9.007 -9.366 -6.631 1.00 0.00 C ATOM 0 H TRP A 87 -10.092 -2.511 -7.726 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.262 -4.272 -6.389 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.035 -3.717 -9.257 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.610 -4.677 -8.915 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.290 -4.996 -9.296 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.101 -7.356 -8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.031 -6.624 -7.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -11.022 -9.591 -7.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.996 -8.894 -6.049 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.963 -10.360 -6.210 1.00 0.00 H new ATOM 1424 N MET A 88 -6.188 -2.979 -6.388 1.00 0.00 N ATOM 1425 CA MET A 88 -4.889 -2.343 -6.398 1.00 0.00 C ATOM 1426 C MET A 88 -3.790 -3.396 -6.363 1.00 0.00 C ATOM 1427 O MET A 88 -3.837 -4.329 -5.561 1.00 0.00 O ATOM 1428 CB MET A 88 -4.762 -1.411 -5.196 1.00 0.00 C ATOM 1429 CG MET A 88 -3.370 -0.840 -5.006 1.00 0.00 C ATOM 1430 SD MET A 88 -3.307 0.938 -5.279 1.00 0.00 S ATOM 1431 CE MET A 88 -4.321 1.516 -3.927 1.00 0.00 C ATOM 0 H MET A 88 -6.355 -3.579 -5.580 1.00 0.00 H new ATOM 0 HA MET A 88 -4.785 -1.760 -7.313 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.469 -0.589 -5.310 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.047 -1.955 -4.295 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.026 -1.061 -3.996 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.682 -1.334 -5.692 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.147 2.110 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.717 0.662 -3.378 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.719 2.130 -3.257 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.826 -3.266 -7.258 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.672 -4.140 -7.258 1.00 0.00 C ATOM 1443 C ARG A 89 -0.462 -3.369 -6.767 1.00 0.00 C ATOM 1444 O ARG A 89 0.048 -2.479 -7.451 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.407 -4.706 -8.649 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.420 -5.860 -8.651 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.186 -6.388 -10.055 1.00 0.00 C ATOM 1448 NE ARG A 89 0.767 -7.495 -10.068 1.00 0.00 N ATOM 1449 CZ ARG A 89 0.893 -8.364 -11.069 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.115 -8.273 -12.139 1.00 0.00 N ATOM 1451 NH2 ARG A 89 1.806 -9.321 -10.993 1.00 0.00 N ATOM 0 H ARG A 89 -2.822 -2.561 -7.995 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.870 -4.979 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.349 -5.042 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.027 -3.911 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.527 -5.532 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.796 -6.663 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.133 -6.719 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.184 -5.582 -10.689 1.00 0.00 H new ATOM 0 HE ARG A 89 1.376 -7.610 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.585 -7.534 -12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.217 -8.942 -12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.407 -9.389 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.908 -9.990 -11.756 1.00 0.00 H new ATOM 1465 N THR A 90 -0.030 -3.701 -5.575 1.00 0.00 N ATOM 1466 CA THR A 90 1.080 -3.029 -4.951 1.00 0.00 C ATOM 1467 C THR A 90 2.374 -3.806 -5.170 1.00 0.00 C ATOM 1468 O THR A 90 2.412 -5.027 -5.001 1.00 0.00 O ATOM 1469 CB THR A 90 0.817 -2.861 -3.443 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.347 -2.048 -3.241 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.002 -2.230 -2.745 1.00 0.00 C ATOM 0 H THR A 90 -0.439 -4.446 -5.011 1.00 0.00 H new ATOM 0 HA THR A 90 1.186 -2.045 -5.408 1.00 0.00 H new ATOM 0 HB THR A 90 0.656 -3.851 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.512 -1.945 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.785 -2.125 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.880 -2.863 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.196 -1.247 -3.174 1.00 0.00 H new ATOM 1479 N SER A 91 3.423 -3.101 -5.569 1.00 0.00 N ATOM 1480 CA SER A 91 4.727 -3.714 -5.726 1.00 0.00 C ATOM 1481 C SER A 91 5.495 -3.610 -4.415 1.00 0.00 C ATOM 1482 O SER A 91 5.736 -2.511 -3.906 1.00 0.00 O ATOM 1483 CB SER A 91 5.498 -3.049 -6.868 1.00 0.00 C ATOM 1484 OG SER A 91 5.556 -1.644 -6.700 1.00 0.00 O ATOM 0 H SER A 91 3.393 -2.105 -5.789 1.00 0.00 H new ATOM 0 HA SER A 91 4.604 -4.767 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.509 -3.454 -6.912 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.019 -3.284 -7.818 1.00 0.00 H new ATOM 0 HG SER A 91 6.196 -1.264 -7.337 1.00 0.00 H new ATOM 1490 N SER A 92 5.855 -4.754 -3.866 1.00 0.00 N ATOM 1491 CA SER A 92 6.507 -4.815 -2.574 1.00 0.00 C ATOM 1492 C SER A 92 8.012 -4.913 -2.740 1.00 0.00 C ATOM 1493 O SER A 92 8.512 -5.793 -3.441 1.00 0.00 O ATOM 1494 CB SER A 92 5.999 -6.020 -1.776 1.00 0.00 C ATOM 1495 OG SER A 92 4.582 -6.075 -1.790 1.00 0.00 O ATOM 0 H SER A 92 5.704 -5.664 -4.302 1.00 0.00 H new ATOM 0 HA SER A 92 6.269 -3.900 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.407 -6.939 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.354 -5.956 -0.748 1.00 0.00 H new ATOM 0 HG SER A 92 4.278 -6.460 -2.638 1.00 0.00 H new ATOM 1501 N PHE A 93 8.712 -3.987 -2.121 1.00 0.00 N ATOM 1502 CA PHE A 93 10.155 -4.039 -2.031 1.00 0.00 C ATOM 1503 C PHE A 93 10.559 -3.903 -0.576 1.00 0.00 C ATOM 1504 O PHE A 93 10.019 -3.074 0.142 1.00 0.00 O ATOM 1505 CB PHE A 93 10.775 -2.912 -2.862 1.00 0.00 C ATOM 1506 CG PHE A 93 12.250 -2.704 -2.626 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.188 -3.539 -3.216 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.698 -1.676 -1.807 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.539 -3.351 -2.993 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.048 -1.485 -1.579 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.969 -2.324 -2.175 1.00 0.00 C ATOM 0 H PHE A 93 8.296 -3.175 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 93 10.515 -4.990 -2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.615 -3.126 -3.919 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.249 -1.983 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.859 -4.344 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.981 -1.016 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.259 -4.007 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.381 -0.683 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.025 -2.177 -2.002 1.00 0.00 H new ATOM 1521 N THR A 94 11.475 -4.722 -0.131 1.00 0.00 N ATOM 1522 CA THR A 94 11.996 -4.586 1.205 1.00 0.00 C ATOM 1523 C THR A 94 13.248 -3.725 1.182 1.00 0.00 C ATOM 1524 O THR A 94 14.274 -4.128 0.636 1.00 0.00 O ATOM 1525 CB THR A 94 12.294 -5.957 1.818 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.543 -6.915 0.778 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.138 -6.423 2.683 1.00 0.00 C ATOM 0 H THR A 94 11.875 -5.489 -0.672 1.00 0.00 H new ATOM 0 HA THR A 94 11.243 -4.101 1.826 1.00 0.00 H new ATOM 0 HB THR A 94 13.181 -5.868 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.971 -7.700 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.372 -7.399 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.974 -5.707 3.488 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.236 -6.499 2.075 1.00 0.00 H new ATOM 1535 N PHE A 95 13.151 -2.529 1.751 1.00 0.00 N ATOM 1536 CA PHE A 95 14.239 -1.568 1.684 1.00 0.00 C ATOM 1537 C PHE A 95 15.383 -1.994 2.588 1.00 0.00 C ATOM 1538 O PHE A 95 15.374 -1.736 3.793 1.00 0.00 O ATOM 1539 CB PHE A 95 13.751 -0.161 2.044 1.00 0.00 C ATOM 1540 CG PHE A 95 14.736 0.927 1.699 1.00 0.00 C ATOM 1541 CD1 PHE A 95 15.362 0.948 0.465 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.029 1.932 2.607 1.00 0.00 C ATOM 1543 CE1 PHE A 95 16.261 1.947 0.143 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.926 2.933 2.293 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.544 2.940 1.060 1.00 0.00 C ATOM 0 H PHE A 95 12.330 -2.204 2.263 1.00 0.00 H new ATOM 0 HA PHE A 95 14.607 -1.541 0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.812 0.033 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.539 -0.122 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 95 15.145 0.174 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.549 1.932 3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 95 16.741 1.951 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.144 3.709 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.248 3.721 0.812 1.00 0.00 H new ATOM 1555 N GLN A 96 16.345 -2.673 1.989 1.00 0.00 N ATOM 1556 CA GLN A 96 17.512 -3.148 2.702 1.00 0.00 C ATOM 1557 C GLN A 96 18.549 -2.047 2.825 1.00 0.00 C ATOM 1558 O GLN A 96 18.904 -1.397 1.841 1.00 0.00 O ATOM 1559 CB GLN A 96 18.118 -4.348 1.979 1.00 0.00 C ATOM 1560 CG GLN A 96 17.192 -5.548 1.911 1.00 0.00 C ATOM 1561 CD GLN A 96 17.809 -6.709 1.165 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.652 -6.837 -0.049 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.517 -7.563 1.883 1.00 0.00 N ATOM 0 H GLN A 96 16.337 -2.909 0.997 1.00 0.00 H new ATOM 0 HA GLN A 96 17.202 -3.450 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.390 -4.052 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.039 -4.639 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.936 -5.864 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.262 -5.259 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.622 -7.420 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.958 -8.365 1.433 1.00 0.00 H new ATOM 1572 N ASN A 97 19.008 -1.835 4.045 1.00 0.00 N ATOM 1573 CA ASN A 97 20.078 -0.898 4.316 1.00 0.00 C ATOM 1574 C ASN A 97 21.322 -1.318 3.547 1.00 0.00 C ATOM 1575 O ASN A 97 21.833 -2.420 3.753 1.00 0.00 O ATOM 1576 CB ASN A 97 20.379 -0.864 5.814 1.00 0.00 C ATOM 1577 CG ASN A 97 21.295 0.279 6.197 1.00 0.00 C ATOM 1578 OD1 ASN A 97 22.519 0.149 6.159 1.00 0.00 O ATOM 1579 ND2 ASN A 97 20.710 1.401 6.586 1.00 0.00 N ATOM 0 H ASN A 97 18.648 -2.308 4.874 1.00 0.00 H new ATOM 0 HA ASN A 97 19.773 0.099 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.444 -0.776 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.837 -1.807 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.277 2.200 6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.692 1.466 6.603 1.00 0.00 H new ATOM 1586 N PRO A 98 21.826 -0.444 2.667 1.00 0.00 N ATOM 1587 CA PRO A 98 22.945 -0.759 1.760 1.00 0.00 C ATOM 1588 C PRO A 98 24.228 -1.172 2.484 1.00 0.00 C ATOM 1589 O PRO A 98 25.193 -1.606 1.854 1.00 0.00 O ATOM 1590 CB PRO A 98 23.170 0.551 0.993 1.00 0.00 C ATOM 1591 CG PRO A 98 22.491 1.607 1.794 1.00 0.00 C ATOM 1592 CD PRO A 98 21.339 0.932 2.474 1.00 0.00 C ATOM 0 HA PRO A 98 22.702 -1.614 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.234 0.764 0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.753 0.493 -0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.174 2.043 2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 98 22.145 2.420 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.094 1.410 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.438 0.959 1.862 1.00 0.00 H new ATOM 1600 N TYR A 99 24.244 -1.033 3.802 1.00 0.00 N ATOM 1601 CA TYR A 99 25.432 -1.341 4.578 1.00 0.00 C ATOM 1602 C TYR A 99 25.335 -2.709 5.254 1.00 0.00 C ATOM 1603 O TYR A 99 26.328 -3.431 5.333 1.00 0.00 O ATOM 1604 CB TYR A 99 25.667 -0.253 5.630 1.00 0.00 C ATOM 1605 CG TYR A 99 25.844 1.130 5.043 1.00 0.00 C ATOM 1606 CD1 TYR A 99 24.747 1.874 4.629 1.00 0.00 C ATOM 1607 CD2 TYR A 99 27.106 1.699 4.914 1.00 0.00 C ATOM 1608 CE1 TYR A 99 24.898 3.137 4.101 1.00 0.00 C ATOM 1609 CE2 TYR A 99 27.265 2.964 4.384 1.00 0.00 C ATOM 1610 CZ TYR A 99 26.158 3.679 3.981 1.00 0.00 C ATOM 1611 OH TYR A 99 26.306 4.942 3.459 1.00 0.00 O ATOM 0 H TYR A 99 23.449 -0.710 4.353 1.00 0.00 H new ATOM 0 HA TYR A 99 26.276 -1.373 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 99 24.824 -0.240 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 99 26.553 -0.508 6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 99 23.756 1.454 4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 99 27.975 1.143 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 99 24.033 3.699 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 99 28.252 3.391 4.286 1.00 0.00 H new ATOM 0 HH TYR A 99 27.257 5.180 3.442 1.00 0.00 H new ATOM 1621 N SER A 100 24.147 -3.083 5.728 1.00 0.00 N ATOM 1622 CA SER A 100 24.030 -4.305 6.520 1.00 0.00 C ATOM 1623 C SER A 100 22.717 -5.050 6.268 1.00 0.00 C ATOM 1624 O SER A 100 22.274 -5.831 7.110 1.00 0.00 O ATOM 1625 CB SER A 100 24.174 -3.966 8.002 1.00 0.00 C ATOM 1626 OG SER A 100 24.646 -5.081 8.741 1.00 0.00 O ATOM 0 H SER A 100 23.275 -2.574 5.583 1.00 0.00 H new ATOM 0 HA SER A 100 24.832 -4.976 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 100 24.863 -3.130 8.121 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.211 -3.645 8.399 1.00 0.00 H new ATOM 0 HG SER A 100 24.083 -5.860 8.553 1.00 0.00 H new ATOM 1632 N ASP A 101 22.096 -4.798 5.117 1.00 0.00 N ATOM 1633 CA ASP A 101 20.918 -5.560 4.665 1.00 0.00 C ATOM 1634 C ASP A 101 19.701 -5.410 5.580 1.00 0.00 C ATOM 1635 O ASP A 101 18.711 -6.118 5.399 1.00 0.00 O ATOM 1636 CB ASP A 101 21.249 -7.055 4.534 1.00 0.00 C ATOM 1637 CG ASP A 101 22.031 -7.398 3.279 1.00 0.00 C ATOM 1638 OD1 ASP A 101 23.186 -6.948 3.148 1.00 0.00 O ATOM 1639 OD2 ASP A 101 21.498 -8.150 2.429 1.00 0.00 O ATOM 0 H ASP A 101 22.388 -4.066 4.470 1.00 0.00 H new ATOM 0 HA ASP A 101 20.659 -5.136 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 101 21.822 -7.369 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.320 -7.626 4.540 1.00 0.00 H new ATOM 1644 N GLU A 102 19.755 -4.506 6.553 1.00 0.00 N ATOM 1645 CA GLU A 102 18.639 -4.329 7.477 1.00 0.00 C ATOM 1646 C GLU A 102 17.415 -3.816 6.741 1.00 0.00 C ATOM 1647 O GLU A 102 17.534 -3.088 5.766 1.00 0.00 O ATOM 1648 CB GLU A 102 18.999 -3.352 8.594 1.00 0.00 C ATOM 1649 CG GLU A 102 20.100 -3.843 9.514 1.00 0.00 C ATOM 1650 CD GLU A 102 20.173 -3.038 10.791 1.00 0.00 C ATOM 1651 OE1 GLU A 102 19.321 -3.245 11.682 1.00 0.00 O ATOM 1652 OE2 GLU A 102 21.085 -2.193 10.912 1.00 0.00 O ATOM 0 H GLU A 102 20.550 -3.890 6.722 1.00 0.00 H new ATOM 0 HA GLU A 102 18.419 -5.302 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.307 -2.406 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.107 -3.150 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 102 19.929 -4.892 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.057 -3.788 8.995 1.00 0.00 H new ATOM 1659 N ILE A 103 16.238 -4.194 7.199 1.00 0.00 N ATOM 1660 CA ILE A 103 15.020 -3.717 6.578 1.00 0.00 C ATOM 1661 C ILE A 103 14.558 -2.445 7.257 1.00 0.00 C ATOM 1662 O ILE A 103 13.983 -2.478 8.349 1.00 0.00 O ATOM 1663 CB ILE A 103 13.890 -4.765 6.623 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.330 -6.038 5.906 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.618 -4.211 5.993 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.664 -5.832 4.445 1.00 0.00 C ATOM 0 H ILE A 103 16.100 -4.823 7.990 1.00 0.00 H new ATOM 0 HA ILE A 103 15.248 -3.522 5.530 1.00 0.00 H new ATOM 0 HB ILE A 103 13.677 -5.004 7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.203 -6.447 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.537 -6.782 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.833 -4.966 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.298 -3.324 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.812 -3.946 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.968 -6.781 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.787 -5.453 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.478 -5.113 4.356 1.00 0.00 H new ATOM 1678 N GLU A 104 14.842 -1.325 6.611 1.00 0.00 N ATOM 1679 CA GLU A 104 14.395 -0.032 7.093 1.00 0.00 C ATOM 1680 C GLU A 104 12.878 -0.046 7.190 1.00 0.00 C ATOM 1681 O GLU A 104 12.287 0.351 8.196 1.00 0.00 O ATOM 1682 CB GLU A 104 14.825 1.072 6.124 1.00 0.00 C ATOM 1683 CG GLU A 104 16.223 0.897 5.548 1.00 0.00 C ATOM 1684 CD GLU A 104 17.315 0.973 6.598 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.529 -0.017 7.324 1.00 0.00 O ATOM 1686 OE2 GLU A 104 17.970 2.031 6.694 1.00 0.00 O ATOM 0 H GLU A 104 15.383 -1.288 5.747 1.00 0.00 H new ATOM 0 HA GLU A 104 14.838 0.162 8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.110 1.116 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.776 2.031 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.282 -0.066 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.398 1.665 4.795 1.00 0.00 H new ATOM 1693 N TYR A 105 12.276 -0.530 6.111 1.00 0.00 N ATOM 1694 CA TYR A 105 10.831 -0.608 5.961 1.00 0.00 C ATOM 1695 C TYR A 105 10.496 -1.212 4.605 1.00 0.00 C ATOM 1696 O TYR A 105 11.384 -1.676 3.890 1.00 0.00 O ATOM 1697 CB TYR A 105 10.180 0.783 6.092 1.00 0.00 C ATOM 1698 CG TYR A 105 10.930 1.903 5.396 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.103 1.921 4.015 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.465 2.951 6.132 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.787 2.949 3.400 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.148 3.980 5.521 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.307 3.974 4.156 1.00 0.00 C ATOM 1704 OH TYR A 105 12.988 5.000 3.544 1.00 0.00 O ATOM 0 H TYR A 105 12.788 -0.885 5.303 1.00 0.00 H new ATOM 0 HA TYR A 105 10.435 -1.240 6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.169 0.735 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.089 1.028 7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.696 1.119 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.344 2.960 7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.914 2.949 2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.556 4.787 6.112 1.00 0.00 H new ATOM 0 HH TYR A 105 13.289 5.642 4.220 1.00 0.00 H new ATOM 1714 N ILE A 106 9.225 -1.200 4.256 1.00 0.00 N ATOM 1715 CA ILE A 106 8.787 -1.691 2.967 1.00 0.00 C ATOM 1716 C ILE A 106 8.543 -0.515 2.026 1.00 0.00 C ATOM 1717 O ILE A 106 7.999 0.515 2.432 1.00 0.00 O ATOM 1718 CB ILE A 106 7.492 -2.529 3.082 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.658 -3.639 4.122 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.125 -3.130 1.733 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.415 -4.491 4.293 1.00 0.00 C ATOM 0 H ILE A 106 8.474 -0.853 4.852 1.00 0.00 H new ATOM 0 HA ILE A 106 9.573 -2.334 2.573 1.00 0.00 H new ATOM 0 HB ILE A 106 6.687 -1.868 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.491 -4.279 3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.919 -3.192 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.212 -3.716 1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.966 -2.330 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.934 -3.774 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.601 -5.258 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.584 -3.862 4.614 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.166 -4.965 3.344 1.00 0.00 H new ATOM 1733 N ILE A 107 8.932 -0.683 0.775 1.00 0.00 N ATOM 1734 CA ILE A 107 8.731 0.327 -0.246 1.00 0.00 C ATOM 1735 C ILE A 107 7.683 -0.181 -1.223 1.00 0.00 C ATOM 1736 O ILE A 107 7.912 -1.152 -1.949 1.00 0.00 O ATOM 1737 CB ILE A 107 10.045 0.642 -0.999 1.00 0.00 C ATOM 1738 CG1 ILE A 107 11.011 1.392 -0.081 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.771 1.449 -2.263 1.00 0.00 C ATOM 1740 CD1 ILE A 107 10.557 2.798 0.252 1.00 0.00 C ATOM 0 H ILE A 107 9.397 -1.526 0.439 1.00 0.00 H new ATOM 0 HA ILE A 107 8.398 1.250 0.229 1.00 0.00 H new ATOM 0 HB ILE A 107 10.504 -0.301 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 107 11.132 0.829 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.991 1.438 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.712 1.657 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.118 0.879 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.287 2.389 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 107 11.289 3.271 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.463 3.377 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.591 2.759 0.756 1.00 0.00 H new ATOM 1752 N CYS A 108 6.524 0.447 -1.219 1.00 0.00 N ATOM 1753 CA CYS A 108 5.408 -0.050 -1.991 1.00 0.00 C ATOM 1754 C CYS A 108 4.901 0.971 -2.992 1.00 0.00 C ATOM 1755 O CYS A 108 4.523 2.088 -2.632 1.00 0.00 O ATOM 1756 CB CYS A 108 4.279 -0.476 -1.059 1.00 0.00 C ATOM 1757 SG CYS A 108 4.590 -2.041 -0.207 1.00 0.00 S ATOM 0 H CYS A 108 6.333 1.299 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 108 5.761 -0.911 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 108 4.118 0.306 -0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.358 -0.563 -1.635 1.00 0.00 H new ATOM 0 HG CYS A 108 4.490 -1.863 1.077 1.00 0.00 H new ATOM 1763 N THR A 109 4.912 0.585 -4.252 1.00 0.00 N ATOM 1764 CA THR A 109 4.261 1.360 -5.279 1.00 0.00 C ATOM 1765 C THR A 109 2.854 0.818 -5.461 1.00 0.00 C ATOM 1766 O THR A 109 2.667 -0.361 -5.766 1.00 0.00 O ATOM 1767 CB THR A 109 5.028 1.311 -6.615 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.400 1.678 -6.404 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.402 2.248 -7.639 1.00 0.00 C ATOM 0 H THR A 109 5.367 -0.264 -4.586 1.00 0.00 H new ATOM 0 HA THR A 109 4.235 2.405 -4.969 1.00 0.00 H new ATOM 0 HB THR A 109 4.975 0.293 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.883 1.643 -7.256 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.963 2.194 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.368 1.952 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.426 3.270 -7.260 1.00 0.00 H new ATOM 1777 N ASN A 110 1.873 1.673 -5.264 1.00 0.00 N ATOM 1778 CA ASN A 110 0.488 1.247 -5.245 1.00 0.00 C ATOM 1779 C ASN A 110 -0.176 1.644 -6.544 1.00 0.00 C ATOM 1780 O ASN A 110 -0.384 2.825 -6.807 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.258 1.866 -4.061 1.00 0.00 C ATOM 1782 CG ASN A 110 0.202 1.329 -2.714 1.00 0.00 C ATOM 1783 OD1 ASN A 110 1.354 0.940 -2.541 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -0.702 1.302 -1.747 1.00 0.00 N ATOM 0 H ASN A 110 2.009 2.673 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 110 0.455 0.163 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.121 2.947 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.326 1.678 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.450 0.950 -0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.650 1.633 -1.926 1.00 0.00 H new ATOM 1791 N THR A 111 -0.495 0.659 -7.357 1.00 0.00 N ATOM 1792 CA THR A 111 -1.084 0.902 -8.651 1.00 0.00 C ATOM 1793 C THR A 111 -2.476 0.303 -8.707 1.00 0.00 C ATOM 1794 O THR A 111 -2.644 -0.916 -8.665 1.00 0.00 O ATOM 1795 CB THR A 111 -0.215 0.295 -9.764 1.00 0.00 C ATOM 1796 OG1 THR A 111 1.141 0.747 -9.617 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.737 0.687 -11.138 1.00 0.00 C ATOM 0 H THR A 111 -0.353 -0.327 -7.138 1.00 0.00 H new ATOM 0 HA THR A 111 -1.147 1.979 -8.804 1.00 0.00 H new ATOM 0 HB THR A 111 -0.254 -0.791 -9.678 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.694 0.358 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.104 0.245 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 111 -1.758 0.325 -11.256 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.723 1.772 -11.237 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.470 1.158 -8.808 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.842 0.706 -8.875 1.00 0.00 C ATOM 1807 C ASN A 112 -5.166 0.326 -10.310 1.00 0.00 C ATOM 1808 O ASN A 112 -4.902 1.092 -11.237 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.783 1.803 -8.378 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.210 1.616 -8.864 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.979 0.817 -8.143 1.00 0.00 O flip ATOM 1812 ND2 ASN A 112 -7.611 2.171 -9.885 1.00 0.00 N flip ATOM 0 H ASN A 112 -3.354 2.171 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 112 -4.976 -0.166 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.774 1.818 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.414 2.772 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -6.986 2.780 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -8.568 2.022 -10.204 1.00 0.00 H new ATOM 1819 N VAL A 113 -5.707 -0.866 -10.492 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.026 -1.358 -11.820 1.00 0.00 C ATOM 1821 C VAL A 113 -7.527 -1.302 -12.039 1.00 0.00 C ATOM 1822 O VAL A 113 -8.050 -0.359 -12.629 1.00 0.00 O ATOM 1823 CB VAL A 113 -5.547 -2.811 -12.022 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.682 -3.230 -13.479 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.113 -2.984 -11.536 1.00 0.00 C ATOM 0 H VAL A 113 -5.935 -1.511 -9.736 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.510 -0.722 -12.539 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.185 -3.462 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.338 -4.258 -13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.727 -3.160 -13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.078 -2.572 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.799 -4.016 -11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.456 -2.318 -12.096 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.057 -2.741 -10.475 1.00 0.00 H new ATOM 1835 N LYS A 114 -8.213 -2.328 -11.561 1.00 0.00 N ATOM 1836 CA LYS A 114 -9.656 -2.377 -11.629 1.00 0.00 C ATOM 1837 C LYS A 114 -10.273 -1.686 -10.426 1.00 0.00 C ATOM 1838 O LYS A 114 -9.586 -1.298 -9.483 1.00 0.00 O ATOM 1839 CB LYS A 114 -10.140 -3.823 -11.687 1.00 0.00 C ATOM 1840 CG LYS A 114 -9.667 -4.582 -12.916 1.00 0.00 C ATOM 1841 CD LYS A 114 -10.151 -6.026 -12.900 1.00 0.00 C ATOM 1842 CE LYS A 114 -11.671 -6.118 -12.958 1.00 0.00 C ATOM 1843 NZ LYS A 114 -12.150 -7.525 -12.941 1.00 0.00 N ATOM 0 H LYS A 114 -7.785 -3.142 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.967 -1.858 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.797 -4.347 -10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.230 -3.832 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.032 -4.085 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.578 -4.562 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.723 -6.562 -13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.792 -6.519 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.098 -5.580 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.029 -5.625 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.189 -7.538 -12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.765 -8.033 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.832 -7.989 -12.067 1.00 0.00 H new ATOM 1857 N ASN A 115 -11.577 -1.567 -10.459 1.00 0.00 N ATOM 1858 CA ASN A 115 -12.318 -0.888 -9.414 1.00 0.00 C ATOM 1859 C ASN A 115 -13.241 -1.899 -8.742 1.00 0.00 C ATOM 1860 O ASN A 115 -14.234 -1.538 -8.104 1.00 0.00 O ATOM 1861 CB ASN A 115 -13.105 0.267 -10.042 1.00 0.00 C ATOM 1862 CG ASN A 115 -13.450 1.396 -9.074 1.00 0.00 C ATOM 1863 OD1 ASN A 115 -13.462 2.564 -9.462 1.00 0.00 O ATOM 1864 ND2 ASN A 115 -13.761 1.072 -7.827 1.00 0.00 N ATOM 0 H ASN A 115 -12.159 -1.937 -11.210 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.651 -0.474 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -12.525 0.678 -10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.029 -0.127 -10.465 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -14.019 1.800 -7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -13.742 0.095 -7.534 1.00 0.00 H new ATOM 1871 N SER A 116 -12.877 -3.175 -8.899 1.00 0.00 N ATOM 1872 CA SER A 116 -13.664 -4.302 -8.403 1.00 0.00 C ATOM 1873 C SER A 116 -14.929 -4.454 -9.236 1.00 0.00 C ATOM 1874 O SER A 116 -15.310 -3.547 -9.976 1.00 0.00 O ATOM 1875 CB SER A 116 -14.008 -4.116 -6.917 1.00 0.00 C ATOM 1876 OG SER A 116 -14.631 -5.267 -6.375 1.00 0.00 O ATOM 0 H SER A 116 -12.021 -3.454 -9.378 1.00 0.00 H new ATOM 0 HA SER A 116 -13.071 -5.212 -8.495 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.098 -3.897 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.668 -3.256 -6.801 1.00 0.00 H new ATOM 0 HG SER A 116 -14.834 -5.114 -5.429 1.00 0.00 H new ATOM 1882 N SER A 117 -15.562 -5.611 -9.145 1.00 0.00 N ATOM 1883 CA SER A 117 -16.822 -5.830 -9.826 1.00 0.00 C ATOM 1884 C SER A 117 -17.947 -5.124 -9.078 1.00 0.00 C ATOM 1885 O SER A 117 -18.838 -5.761 -8.518 1.00 0.00 O ATOM 1886 CB SER A 117 -17.101 -7.330 -9.954 1.00 0.00 C ATOM 1887 OG SER A 117 -16.989 -7.986 -8.700 1.00 0.00 O ATOM 0 H SER A 117 -15.224 -6.409 -8.608 1.00 0.00 H new ATOM 0 HA SER A 117 -16.764 -5.411 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.102 -7.482 -10.358 1.00 0.00 H new ATOM 0 HB3 SER A 117 -16.401 -7.773 -10.662 1.00 0.00 H new ATOM 0 HG SER A 117 -17.622 -7.590 -8.066 1.00 0.00 H new ATOM 1893 N GLN A 118 -17.885 -3.795 -9.072 1.00 0.00 N ATOM 1894 CA GLN A 118 -18.851 -2.971 -8.359 1.00 0.00 C ATOM 1895 C GLN A 118 -20.246 -3.195 -8.930 1.00 0.00 C ATOM 1896 O GLN A 118 -21.249 -3.056 -8.230 1.00 0.00 O ATOM 1897 CB GLN A 118 -18.464 -1.494 -8.467 1.00 0.00 C ATOM 1898 CG GLN A 118 -19.121 -0.612 -7.418 1.00 0.00 C ATOM 1899 CD GLN A 118 -18.594 -0.871 -6.017 1.00 0.00 C ATOM 1900 OE1 GLN A 118 -17.323 -1.233 -5.915 1.00 0.00 O flip ATOM 1901 NE2 GLN A 118 -19.320 -0.732 -5.031 1.00 0.00 N flip ATOM 0 H GLN A 118 -17.165 -3.262 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 118 -18.852 -3.255 -7.307 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -17.381 -1.404 -8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -18.734 -1.128 -9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -18.957 0.434 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -20.198 -0.779 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -20.294 -0.452 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -18.947 -0.897 -4.096 1.00 0.00 H new ATOM 1910 N GLU A 119 -20.294 -3.543 -10.210 1.00 0.00 N ATOM 1911 CA GLU A 119 -21.539 -3.902 -10.863 1.00 0.00 C ATOM 1912 C GLU A 119 -21.241 -4.575 -12.196 1.00 0.00 C ATOM 1913 O GLU A 119 -21.142 -3.867 -13.221 1.00 0.00 O ATOM 1914 CB GLU A 119 -22.423 -2.669 -11.064 1.00 0.00 C ATOM 1915 CG GLU A 119 -23.806 -2.995 -11.598 1.00 0.00 C ATOM 1916 CD GLU A 119 -24.698 -1.777 -11.658 1.00 0.00 C ATOM 1917 OE1 GLU A 119 -24.669 -1.062 -12.684 1.00 0.00 O ATOM 1918 OE2 GLU A 119 -25.428 -1.525 -10.678 1.00 0.00 O ATOM 1919 OXT GLU A 119 -21.081 -5.814 -12.205 1.00 0.00 O ATOM 0 H GLU A 119 -19.476 -3.583 -10.818 1.00 0.00 H new ATOM 0 HA GLU A 119 -22.083 -4.600 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -22.524 -2.145 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -21.928 -1.985 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -23.716 -3.426 -12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -24.269 -3.751 -10.964 1.00 0.00 H new TER 1926 GLU A 119