USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 519 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 1 SER N :NH3+ 170:sc= 1.21 (180deg=1.11) USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= -0.0711 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot -131:sc= -0.889 USER MOD Set 3.1: A 32 TYR OH : rot 64:sc= 0.204 USER MOD Set 3.2: A 65 ASN : amide:sc= -0.218 K(o=-0.015,f=-3.6!) USER MOD Set 4.1: A 18 TYR OH : rot 176:sc= 0.616 USER MOD Set 4.2: A 28 GLN : amide:sc= -2.25! C(o=-1.6!,f=-4.9!) USER MOD Set 5.1: A 7 SER OG : rot -60:sc= 0.918 USER MOD Set 5.2: A 13 ASN : amide:sc= -8.88! C(o=-8!,f=-19!) USER MOD Single : A 1 SER OG : rot 60:sc= 0.424 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.734 F(o=-2.8!,f=-0.73) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00942 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc=-0.00724 (180deg=-0.242) USER MOD Single : A 24 SER OG : rot 115:sc= 0.133 USER MOD Single : A 27 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.48) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.53 F(o=-2.1,f=-1.5) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.13) USER MOD Single : A 46 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.67) USER MOD Single : A 50 SER OG : rot 96:sc= 0.272 USER MOD Single : A 54 HIS : no HE2:sc= 0.96 K(o=0.96,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot 138:sc= 0.569 USER MOD Single : A 59 SER OG : rot 26:sc= 0.293 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.0642 (180deg=-0.506) USER MOD Single : A 71 SER OG : rot -136:sc= 0.581 USER MOD Single : A 75 GLN : amide:sc= -0.225 K(o=-0.22,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.768 -4.745 0.757 1.00 0.00 N ATOM 2 CA SER A 1 -8.716 -4.092 1.587 1.00 0.00 C ATOM 3 C SER A 1 -7.420 -4.918 1.598 1.00 0.00 C ATOM 4 O SER A 1 -7.121 -5.604 2.558 1.00 0.00 O ATOM 5 CB SER A 1 -9.233 -3.910 3.040 1.00 0.00 C ATOM 6 OG SER A 1 -9.687 -5.196 3.445 1.00 0.00 O ATOM 0 H1 SER A 1 -10.676 -4.260 0.903 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.503 -4.689 -0.247 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.860 -5.743 1.035 1.00 0.00 H new ATOM 0 HA SER A 1 -8.494 -3.119 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.441 -3.549 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.040 -3.178 3.081 1.00 0.00 H new ATOM 0 HG SER A 1 -8.944 -5.833 3.403 1.00 0.00 H new ATOM 11 N ALA A 2 -6.682 -4.828 0.518 1.00 0.00 N ATOM 12 CA ALA A 2 -5.398 -5.590 0.430 1.00 0.00 C ATOM 13 C ALA A 2 -4.385 -4.909 -0.488 1.00 0.00 C ATOM 14 O ALA A 2 -4.496 -4.960 -1.699 1.00 0.00 O ATOM 15 CB ALA A 2 -5.698 -7.008 -0.075 1.00 0.00 C ATOM 0 H ALA A 2 -6.911 -4.264 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.952 -5.626 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.769 -7.574 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.376 -7.506 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.163 -6.953 -1.059 1.00 0.00 H new ATOM 21 N PHE A 3 -3.426 -4.286 0.151 1.00 0.00 N ATOM 22 CA PHE A 3 -2.343 -3.567 -0.578 1.00 0.00 C ATOM 23 C PHE A 3 -1.103 -4.467 -0.702 1.00 0.00 C ATOM 24 O PHE A 3 -0.240 -4.477 0.156 1.00 0.00 O ATOM 25 CB PHE A 3 -2.038 -2.296 0.209 1.00 0.00 C ATOM 26 CG PHE A 3 -0.978 -1.438 -0.501 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.323 -0.676 -1.602 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.328 -1.408 -0.047 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.380 0.104 -2.236 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.268 -0.629 -0.682 1.00 0.00 C ATOM 31 CZ PHE A 3 0.917 0.127 -1.777 1.00 0.00 C ATOM 0 H PHE A 3 -3.349 -4.247 1.167 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.650 -3.309 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.952 -1.716 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.687 -2.559 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.339 -0.692 -1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.612 -1.999 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.659 0.698 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.285 -0.611 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.657 0.736 -2.274 1.00 0.00 H new ATOM 41 N THR A 4 -1.064 -5.203 -1.783 1.00 0.00 N ATOM 42 CA THR A 4 0.079 -6.127 -2.051 1.00 0.00 C ATOM 43 C THR A 4 1.257 -5.279 -2.551 1.00 0.00 C ATOM 44 O THR A 4 1.052 -4.210 -3.091 1.00 0.00 O ATOM 45 CB THR A 4 -0.357 -7.148 -3.119 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.486 -7.793 -2.544 1.00 0.00 O ATOM 47 CG2 THR A 4 0.678 -8.279 -3.280 1.00 0.00 C ATOM 0 H THR A 4 -1.787 -5.203 -2.502 1.00 0.00 H new ATOM 0 HA THR A 4 0.379 -6.670 -1.154 1.00 0.00 H new ATOM 0 HB THR A 4 -0.511 -6.644 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.831 -8.466 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.336 -8.980 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.636 -7.855 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.795 -8.803 -2.331 1.00 0.00 H new ATOM 55 N VAL A 5 2.452 -5.776 -2.354 1.00 0.00 N ATOM 56 CA VAL A 5 3.680 -5.038 -2.798 1.00 0.00 C ATOM 57 C VAL A 5 4.773 -6.052 -3.190 1.00 0.00 C ATOM 58 O VAL A 5 4.672 -7.225 -2.885 1.00 0.00 O ATOM 59 CB VAL A 5 4.203 -4.129 -1.638 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.095 -3.213 -1.091 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.706 -4.994 -0.472 1.00 0.00 C ATOM 0 H VAL A 5 2.634 -6.671 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 5 3.433 -4.414 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 5 5.008 -3.521 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.497 -2.597 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.726 -2.571 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.276 -3.822 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.068 -4.350 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.890 -5.613 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.518 -5.634 -0.817 1.00 0.00 H new ATOM 71 N TRP A 6 5.782 -5.555 -3.859 1.00 0.00 N ATOM 72 CA TRP A 6 6.932 -6.377 -4.316 1.00 0.00 C ATOM 73 C TRP A 6 8.148 -5.442 -4.115 1.00 0.00 C ATOM 74 O TRP A 6 8.056 -4.261 -4.395 1.00 0.00 O ATOM 75 CB TRP A 6 6.683 -6.744 -5.788 1.00 0.00 C ATOM 76 CG TRP A 6 5.425 -7.628 -5.949 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.411 -8.994 -5.884 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.145 -7.208 -6.185 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.160 -9.325 -6.079 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.323 -8.332 -6.269 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.586 -5.945 -6.348 1.00 0.00 C ATOM 82 CZ2 TRP A 6 1.961 -8.195 -6.512 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.223 -5.808 -6.593 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.412 -6.933 -6.674 1.00 0.00 C ATOM 0 H TRP A 6 5.853 -4.570 -4.115 1.00 0.00 H new ATOM 0 HA TRP A 6 7.085 -7.316 -3.785 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.566 -5.834 -6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.551 -7.270 -6.184 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.248 -9.654 -5.710 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.853 -10.298 -6.083 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.212 -5.067 -6.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.332 -9.071 -6.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.795 -4.825 -6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.354 -6.824 -6.863 1.00 0.00 H new ATOM 95 N SER A 7 9.248 -5.983 -3.644 1.00 0.00 N ATOM 96 CA SER A 7 10.486 -5.162 -3.397 1.00 0.00 C ATOM 97 C SER A 7 10.971 -4.297 -4.575 1.00 0.00 C ATOM 98 O SER A 7 11.374 -3.167 -4.374 1.00 0.00 O ATOM 99 CB SER A 7 11.622 -6.115 -2.960 1.00 0.00 C ATOM 100 OG SER A 7 11.810 -7.026 -4.033 1.00 0.00 O ATOM 0 H SER A 7 9.345 -6.972 -3.416 1.00 0.00 H new ATOM 0 HA SER A 7 10.213 -4.444 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.538 -5.561 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.357 -6.642 -2.044 1.00 0.00 H new ATOM 0 HG SER A 7 10.980 -7.522 -4.190 1.00 0.00 H new ATOM 106 N GLY A 8 10.917 -4.853 -5.756 1.00 0.00 N ATOM 107 CA GLY A 8 11.357 -4.125 -6.989 1.00 0.00 C ATOM 108 C GLY A 8 11.868 -5.120 -8.038 1.00 0.00 C ATOM 109 O GLY A 8 12.372 -6.160 -7.668 1.00 0.00 O ATOM 0 H GLY A 8 10.580 -5.801 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.525 -3.550 -7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.144 -3.413 -6.739 1.00 0.00 H new ATOM 113 N PRO A 9 11.747 -4.794 -9.309 1.00 0.00 N ATOM 114 CA PRO A 9 11.541 -3.414 -9.846 1.00 0.00 C ATOM 115 C PRO A 9 10.079 -2.972 -9.707 1.00 0.00 C ATOM 116 O PRO A 9 9.782 -2.010 -9.026 1.00 0.00 O ATOM 117 CB PRO A 9 12.003 -3.485 -11.303 1.00 0.00 C ATOM 118 CG PRO A 9 12.076 -4.983 -11.677 1.00 0.00 C ATOM 119 CD PRO A 9 11.800 -5.806 -10.402 1.00 0.00 C ATOM 0 HA PRO A 9 12.106 -2.664 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.307 -2.957 -11.955 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.976 -3.009 -11.423 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.344 -5.219 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.058 -5.227 -12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.862 -6.356 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.586 -6.540 -10.225 1.00 0.00 H new ATOM 127 N GLY A 10 9.219 -3.700 -10.369 1.00 0.00 N ATOM 128 CA GLY A 10 7.766 -3.402 -10.332 1.00 0.00 C ATOM 129 C GLY A 10 7.080 -4.420 -9.422 1.00 0.00 C ATOM 130 O GLY A 10 7.502 -4.642 -8.303 1.00 0.00 O ATOM 0 H GLY A 10 9.472 -4.504 -10.944 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.597 -2.391 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.345 -3.449 -11.336 1.00 0.00 H new ATOM 134 N CYS A 11 6.041 -5.002 -9.955 1.00 0.00 N ATOM 135 CA CYS A 11 5.234 -6.025 -9.225 1.00 0.00 C ATOM 136 C CYS A 11 5.688 -7.447 -9.573 1.00 0.00 C ATOM 137 O CYS A 11 4.896 -8.309 -9.909 1.00 0.00 O ATOM 138 CB CYS A 11 3.787 -5.801 -9.611 1.00 0.00 C ATOM 139 SG CYS A 11 3.487 -5.619 -11.386 1.00 0.00 S ATOM 0 H CYS A 11 5.706 -4.804 -10.898 1.00 0.00 H new ATOM 0 HA CYS A 11 5.366 -5.920 -8.148 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.195 -6.638 -9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.426 -4.907 -9.103 1.00 0.00 H new ATOM 144 N ASN A 12 6.974 -7.638 -9.476 1.00 0.00 N ATOM 145 CA ASN A 12 7.594 -8.965 -9.780 1.00 0.00 C ATOM 146 C ASN A 12 8.369 -9.325 -8.513 1.00 0.00 C ATOM 147 O ASN A 12 7.800 -9.217 -7.447 1.00 0.00 O ATOM 148 CB ASN A 12 8.493 -8.759 -11.023 1.00 0.00 C ATOM 149 CG ASN A 12 7.635 -8.138 -12.143 1.00 0.00 C ATOM 150 OD1 ASN A 12 7.251 -6.893 -12.021 1.00 0.00 O flip ATOM 151 ND2 ASN A 12 7.310 -8.775 -13.123 1.00 0.00 N flip ATOM 0 H ASN A 12 7.638 -6.917 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 12 6.901 -9.772 -10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.332 -8.106 -10.781 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.913 -9.710 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.607 -9.746 -13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.740 -8.340 -13.848 1.00 0.00 H new ATOM 158 N ASN A 13 9.608 -9.737 -8.634 1.00 0.00 N ATOM 159 CA ASN A 13 10.451 -10.104 -7.442 1.00 0.00 C ATOM 160 C ASN A 13 9.701 -10.813 -6.282 1.00 0.00 C ATOM 161 O ASN A 13 8.729 -11.509 -6.509 1.00 0.00 O ATOM 162 CB ASN A 13 11.111 -8.778 -6.989 1.00 0.00 C ATOM 163 CG ASN A 13 10.036 -7.806 -6.473 1.00 0.00 C ATOM 164 OD1 ASN A 13 9.672 -7.871 -5.321 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.497 -6.903 -7.255 1.00 0.00 N ATOM 0 H ASN A 13 10.085 -9.838 -9.530 1.00 0.00 H new ATOM 0 HA ASN A 13 11.178 -10.862 -7.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.842 -8.975 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.651 -8.328 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.784 -6.271 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.790 -6.832 -8.229 1.00 0.00 H new ATOM 172 N ARG A 14 10.178 -10.618 -5.075 1.00 0.00 N ATOM 173 CA ARG A 14 9.538 -11.243 -3.870 1.00 0.00 C ATOM 174 C ARG A 14 8.289 -10.424 -3.497 1.00 0.00 C ATOM 175 O ARG A 14 7.963 -9.486 -4.198 1.00 0.00 O ATOM 176 CB ARG A 14 10.569 -11.256 -2.713 1.00 0.00 C ATOM 177 CG ARG A 14 11.164 -9.852 -2.462 1.00 0.00 C ATOM 178 CD ARG A 14 12.189 -9.955 -1.323 1.00 0.00 C ATOM 179 NE ARG A 14 12.881 -8.636 -1.197 1.00 0.00 N ATOM 180 CZ ARG A 14 13.717 -8.395 -0.218 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.969 -9.308 0.682 1.00 0.00 N ATOM 182 NH2 ARG A 14 14.287 -7.222 -0.175 1.00 0.00 N ATOM 0 H ARG A 14 10.996 -10.044 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 14 9.232 -12.269 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.090 -11.616 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.372 -11.955 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.640 -9.475 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.375 -9.147 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.693 -10.215 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.911 -10.745 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 14 12.698 -7.908 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.513 -10.219 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.622 -9.110 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.076 -6.526 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.943 -7.001 0.574 1.00 0.00 H new ATOM 196 N ALA A 15 7.616 -10.768 -2.424 1.00 0.00 N ATOM 197 CA ALA A 15 6.393 -9.981 -2.055 1.00 0.00 C ATOM 198 C ALA A 15 6.027 -9.967 -0.569 1.00 0.00 C ATOM 199 O ALA A 15 6.429 -10.810 0.208 1.00 0.00 O ATOM 200 CB ALA A 15 5.197 -10.539 -2.838 1.00 0.00 C ATOM 0 H ALA A 15 7.852 -11.540 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 15 6.632 -8.948 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.299 -9.977 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.388 -10.448 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.053 -11.589 -2.583 1.00 0.00 H new ATOM 206 N GLU A 16 5.247 -8.960 -0.272 1.00 0.00 N ATOM 207 CA GLU A 16 4.709 -8.678 1.094 1.00 0.00 C ATOM 208 C GLU A 16 3.256 -8.230 0.856 1.00 0.00 C ATOM 209 O GLU A 16 2.897 -7.895 -0.259 1.00 0.00 O ATOM 210 CB GLU A 16 5.515 -7.539 1.767 1.00 0.00 C ATOM 211 CG GLU A 16 6.956 -7.985 2.089 1.00 0.00 C ATOM 212 CD GLU A 16 6.942 -9.121 3.133 1.00 0.00 C ATOM 213 OE1 GLU A 16 6.543 -8.828 4.250 1.00 0.00 O ATOM 214 OE2 GLU A 16 7.330 -10.215 2.760 1.00 0.00 O ATOM 0 H GLU A 16 4.943 -8.279 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 16 4.775 -9.546 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.540 -6.670 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.014 -7.230 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.451 -8.324 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.530 -7.140 2.469 1.00 0.00 H new ATOM 221 N ARG A 17 2.454 -8.233 1.891 1.00 0.00 N ATOM 222 CA ARG A 17 1.027 -7.812 1.725 1.00 0.00 C ATOM 223 C ARG A 17 0.515 -7.115 2.988 1.00 0.00 C ATOM 224 O ARG A 17 0.759 -7.557 4.094 1.00 0.00 O ATOM 225 CB ARG A 17 0.200 -9.077 1.408 1.00 0.00 C ATOM 226 CG ARG A 17 -1.275 -8.727 1.102 1.00 0.00 C ATOM 227 CD ARG A 17 -1.984 -10.018 0.650 1.00 0.00 C ATOM 228 NE ARG A 17 -3.419 -9.711 0.358 1.00 0.00 N ATOM 229 CZ ARG A 17 -4.122 -10.435 -0.480 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.586 -11.457 -1.097 1.00 0.00 N ATOM 231 NH2 ARG A 17 -5.368 -10.111 -0.680 1.00 0.00 N ATOM 0 H ARG A 17 2.721 -8.506 2.837 1.00 0.00 H new ATOM 0 HA ARG A 17 0.934 -7.093 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.637 -9.594 0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.244 -9.764 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.761 -8.315 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.333 -7.967 0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.498 -10.423 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.913 -10.778 1.428 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.862 -8.918 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.610 -11.699 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.145 -12.011 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.772 -9.313 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.939 -10.656 -1.326 1.00 0.00 H new ATOM 245 N TYR A 18 -0.186 -6.036 2.752 1.00 0.00 N ATOM 246 CA TYR A 18 -0.770 -5.217 3.854 1.00 0.00 C ATOM 247 C TYR A 18 -2.298 -5.238 3.725 1.00 0.00 C ATOM 248 O TYR A 18 -2.922 -4.275 3.321 1.00 0.00 O ATOM 249 CB TYR A 18 -0.209 -3.783 3.733 1.00 0.00 C ATOM 250 CG TYR A 18 1.317 -3.835 3.914 1.00 0.00 C ATOM 251 CD1 TYR A 18 1.869 -3.860 5.180 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.159 -3.862 2.818 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.237 -3.911 5.349 1.00 0.00 C ATOM 254 CE2 TYR A 18 3.525 -3.913 2.990 1.00 0.00 C ATOM 255 CZ TYR A 18 4.074 -3.938 4.254 1.00 0.00 C ATOM 256 OH TYR A 18 5.445 -3.986 4.420 1.00 0.00 O ATOM 0 H TYR A 18 -0.382 -5.680 1.816 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.507 -5.615 4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.460 -3.360 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.657 -3.137 4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.223 -3.839 6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.744 -3.843 1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.655 -3.930 6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.172 -3.934 2.126 1.00 0.00 H new ATOM 0 HH TYR A 18 5.878 -4.065 3.544 1.00 0.00 H new ATOM 266 N SER A 19 -2.841 -6.374 4.082 1.00 0.00 N ATOM 267 CA SER A 19 -4.321 -6.584 4.026 1.00 0.00 C ATOM 268 C SER A 19 -4.966 -6.322 5.392 1.00 0.00 C ATOM 269 O SER A 19 -6.175 -6.341 5.518 1.00 0.00 O ATOM 270 CB SER A 19 -4.591 -8.032 3.568 1.00 0.00 C ATOM 271 OG SER A 19 -3.938 -8.847 4.531 1.00 0.00 O ATOM 0 H SER A 19 -2.312 -7.180 4.416 1.00 0.00 H new ATOM 0 HA SER A 19 -4.762 -5.881 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.660 -8.242 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.197 -8.210 2.567 1.00 0.00 H new ATOM 0 HG SER A 19 -4.069 -9.791 4.304 1.00 0.00 H new ATOM 277 N LYS A 20 -4.129 -6.083 6.372 1.00 0.00 N ATOM 278 CA LYS A 20 -4.606 -5.808 7.755 1.00 0.00 C ATOM 279 C LYS A 20 -5.357 -4.471 7.764 1.00 0.00 C ATOM 280 O LYS A 20 -4.770 -3.422 7.579 1.00 0.00 O ATOM 281 CB LYS A 20 -3.384 -5.756 8.678 1.00 0.00 C ATOM 282 CG LYS A 20 -2.652 -7.121 8.657 1.00 0.00 C ATOM 283 CD LYS A 20 -1.445 -7.116 9.628 1.00 0.00 C ATOM 284 CE LYS A 20 -0.378 -6.079 9.205 1.00 0.00 C ATOM 285 NZ LYS A 20 0.129 -6.372 7.833 1.00 0.00 N ATOM 0 H LYS A 20 -3.115 -6.068 6.265 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.285 -6.587 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.707 -4.965 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.695 -5.515 9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.345 -7.914 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.309 -7.339 7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.790 -6.892 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.997 -8.109 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.806 -5.077 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.450 -6.092 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.996 -5.825 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.338 -7.387 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.593 -6.108 7.132 1.00 0.00 H new ATOM 299 N CYS A 21 -6.645 -4.564 7.978 1.00 0.00 N ATOM 300 CA CYS A 21 -7.509 -3.350 8.014 1.00 0.00 C ATOM 301 C CYS A 21 -7.098 -2.477 9.213 1.00 0.00 C ATOM 302 O CYS A 21 -7.243 -2.894 10.346 1.00 0.00 O ATOM 303 CB CYS A 21 -8.972 -3.811 8.144 1.00 0.00 C ATOM 304 SG CYS A 21 -9.584 -4.266 9.787 1.00 0.00 S ATOM 0 H CYS A 21 -7.139 -5.443 8.131 1.00 0.00 H new ATOM 0 HA CYS A 21 -7.397 -2.758 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.608 -3.013 7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.110 -4.670 7.488 1.00 0.00 H new ATOM 309 N GLY A 22 -6.591 -1.298 8.943 1.00 0.00 N ATOM 310 CA GLY A 22 -6.174 -0.399 10.064 1.00 0.00 C ATOM 311 C GLY A 22 -5.018 0.546 9.721 1.00 0.00 C ATOM 312 O GLY A 22 -5.236 1.602 9.166 1.00 0.00 O ATOM 0 H GLY A 22 -6.449 -0.923 8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.033 0.195 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.885 -1.013 10.917 1.00 0.00 H new ATOM 316 N CYS A 23 -3.828 0.121 10.073 1.00 0.00 N ATOM 317 CA CYS A 23 -2.579 0.919 9.825 1.00 0.00 C ATOM 318 C CYS A 23 -1.355 -0.014 9.778 1.00 0.00 C ATOM 319 O CYS A 23 -1.209 -0.862 10.639 1.00 0.00 O ATOM 320 CB CYS A 23 -2.449 1.932 10.972 1.00 0.00 C ATOM 321 SG CYS A 23 -0.927 2.886 11.195 1.00 0.00 S ATOM 0 H CYS A 23 -3.664 -0.773 10.536 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.632 1.438 8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.263 2.648 10.861 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.626 1.389 11.901 1.00 0.00 H new ATOM 326 N SER A 24 -0.515 0.161 8.784 1.00 0.00 N ATOM 327 CA SER A 24 0.709 -0.702 8.654 1.00 0.00 C ATOM 328 C SER A 24 1.781 -0.053 7.757 1.00 0.00 C ATOM 329 O SER A 24 1.473 0.441 6.691 1.00 0.00 O ATOM 330 CB SER A 24 0.297 -2.070 8.067 1.00 0.00 C ATOM 331 OG SER A 24 -0.299 -1.771 6.811 1.00 0.00 O ATOM 0 H SER A 24 -0.623 0.866 8.054 1.00 0.00 H new ATOM 0 HA SER A 24 1.145 -0.826 9.645 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.161 -2.724 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.404 -2.585 8.723 1.00 0.00 H new ATOM 0 HG SER A 24 0.246 -2.153 6.091 1.00 0.00 H new ATOM 337 N ALA A 25 3.010 -0.082 8.214 1.00 0.00 N ATOM 338 CA ALA A 25 4.149 0.514 7.447 1.00 0.00 C ATOM 339 C ALA A 25 4.655 -0.375 6.296 1.00 0.00 C ATOM 340 O ALA A 25 4.986 -1.529 6.489 1.00 0.00 O ATOM 341 CB ALA A 25 5.303 0.784 8.422 1.00 0.00 C ATOM 0 H ALA A 25 3.276 -0.502 9.104 1.00 0.00 H new ATOM 0 HA ALA A 25 3.782 1.432 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.143 1.219 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.972 1.477 9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.615 -0.152 8.884 1.00 0.00 H new ATOM 347 N ILE A 26 4.690 0.220 5.128 1.00 0.00 N ATOM 348 CA ILE A 26 5.156 -0.476 3.888 1.00 0.00 C ATOM 349 C ILE A 26 6.684 -0.313 3.841 1.00 0.00 C ATOM 350 O ILE A 26 7.207 0.667 4.338 1.00 0.00 O ATOM 351 CB ILE A 26 4.528 0.188 2.628 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.987 0.314 2.773 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.823 -0.738 1.418 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.481 1.372 1.773 1.00 0.00 C ATOM 0 H ILE A 26 4.406 1.188 4.980 1.00 0.00 H new ATOM 0 HA ILE A 26 4.862 -1.526 3.900 1.00 0.00 H new ATOM 0 HB ILE A 26 4.950 1.185 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.510 -0.647 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.726 0.601 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.396 -0.303 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.901 -0.844 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.379 -1.718 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.399 1.471 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.952 2.331 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.733 1.064 0.758 1.00 0.00 H new ATOM 366 N HIS A 27 7.351 -1.272 3.247 1.00 0.00 N ATOM 367 CA HIS A 27 8.844 -1.211 3.143 1.00 0.00 C ATOM 368 C HIS A 27 9.319 -1.635 1.737 1.00 0.00 C ATOM 369 O HIS A 27 10.504 -1.655 1.463 1.00 0.00 O ATOM 370 CB HIS A 27 9.421 -2.137 4.238 1.00 0.00 C ATOM 371 CG HIS A 27 10.950 -2.016 4.296 1.00 0.00 C ATOM 372 ND1 HIS A 27 11.614 -0.923 4.105 1.00 0.00 N ATOM 373 CD2 HIS A 27 11.922 -2.969 4.545 1.00 0.00 C ATOM 374 CE1 HIS A 27 12.882 -1.158 4.222 1.00 0.00 C ATOM 375 NE2 HIS A 27 13.120 -2.418 4.496 1.00 0.00 N ATOM 0 H HIS A 27 6.925 -2.098 2.828 1.00 0.00 H new ATOM 0 HA HIS A 27 9.196 -0.190 3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 27 8.993 -1.876 5.206 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.140 -3.170 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.728 -4.012 4.750 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.650 -0.407 4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.024 -2.869 4.639 1.00 0.00 H new ATOM 383 N GLN A 28 8.373 -1.955 0.889 1.00 0.00 N ATOM 384 CA GLN A 28 8.685 -2.384 -0.510 1.00 0.00 C ATOM 385 C GLN A 28 8.445 -1.212 -1.474 1.00 0.00 C ATOM 386 O GLN A 28 7.328 -0.904 -1.844 1.00 0.00 O ATOM 387 CB GLN A 28 7.782 -3.580 -0.873 1.00 0.00 C ATOM 388 CG GLN A 28 8.194 -4.845 -0.072 1.00 0.00 C ATOM 389 CD GLN A 28 7.963 -4.667 1.439 1.00 0.00 C ATOM 390 OE1 GLN A 28 6.916 -4.242 1.885 1.00 0.00 O ATOM 391 NE2 GLN A 28 8.923 -4.987 2.262 1.00 0.00 N ATOM 0 H GLN A 28 7.378 -1.937 1.112 1.00 0.00 H new ATOM 0 HA GLN A 28 9.730 -2.685 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.742 -3.333 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.851 -3.782 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.623 -5.702 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.246 -5.064 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.807 -5.345 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.790 -4.879 3.268 1.00 0.00 H new ATOM 400 N LYS A 29 9.541 -0.600 -1.839 1.00 0.00 N ATOM 401 CA LYS A 29 9.545 0.568 -2.769 1.00 0.00 C ATOM 402 C LYS A 29 9.412 0.179 -4.255 1.00 0.00 C ATOM 403 O LYS A 29 9.348 1.047 -5.105 1.00 0.00 O ATOM 404 CB LYS A 29 10.857 1.333 -2.528 1.00 0.00 C ATOM 405 CG LYS A 29 12.085 0.422 -2.810 1.00 0.00 C ATOM 406 CD LYS A 29 13.381 1.211 -2.538 1.00 0.00 C ATOM 407 CE LYS A 29 14.593 0.294 -2.780 1.00 0.00 C ATOM 408 NZ LYS A 29 15.859 1.038 -2.521 1.00 0.00 N ATOM 0 H LYS A 29 10.469 -0.874 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 29 8.670 1.183 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.895 2.212 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.892 1.690 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 12.047 -0.465 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.066 0.077 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.434 2.083 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.388 1.579 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.535 -0.578 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.582 -0.073 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.671 0.410 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.918 1.856 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.872 1.367 -1.535 1.00 0.00 H new ATOM 422 N GLY A 30 9.374 -1.102 -4.524 1.00 0.00 N ATOM 423 CA GLY A 30 9.251 -1.592 -5.933 1.00 0.00 C ATOM 424 C GLY A 30 7.888 -1.285 -6.553 1.00 0.00 C ATOM 425 O GLY A 30 7.629 -0.173 -6.971 1.00 0.00 O ATOM 0 H GLY A 30 9.423 -1.838 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.032 -1.135 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.420 -2.669 -5.954 1.00 0.00 H new ATOM 429 N GLY A 31 7.064 -2.300 -6.594 1.00 0.00 N ATOM 430 CA GLY A 31 5.694 -2.163 -7.168 1.00 0.00 C ATOM 431 C GLY A 31 4.658 -2.552 -6.126 1.00 0.00 C ATOM 432 O GLY A 31 4.989 -3.132 -5.111 1.00 0.00 O ATOM 0 H GLY A 31 7.288 -3.233 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.527 -1.136 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.594 -2.798 -8.049 1.00 0.00 H new ATOM 436 N TYR A 32 3.427 -2.210 -6.407 1.00 0.00 N ATOM 437 CA TYR A 32 2.321 -2.538 -5.461 1.00 0.00 C ATOM 438 C TYR A 32 0.942 -2.487 -6.112 1.00 0.00 C ATOM 439 O TYR A 32 0.679 -1.681 -6.980 1.00 0.00 O ATOM 440 CB TYR A 32 2.375 -1.554 -4.277 1.00 0.00 C ATOM 441 CG TYR A 32 2.444 -0.129 -4.823 1.00 0.00 C ATOM 442 CD1 TYR A 32 1.298 0.565 -5.146 1.00 0.00 C ATOM 443 CD2 TYR A 32 3.669 0.470 -5.007 1.00 0.00 C ATOM 444 CE1 TYR A 32 1.382 1.840 -5.650 1.00 0.00 C ATOM 445 CE2 TYR A 32 3.750 1.741 -5.511 1.00 0.00 C ATOM 446 CZ TYR A 32 2.607 2.441 -5.838 1.00 0.00 C ATOM 447 OH TYR A 32 2.682 3.718 -6.353 1.00 0.00 O ATOM 0 H TYR A 32 3.141 -1.717 -7.253 1.00 0.00 H new ATOM 0 HA TYR A 32 2.468 -3.564 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.494 -1.674 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.244 -1.762 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.331 0.105 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.572 -0.065 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.479 2.376 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.717 2.199 -5.654 1.00 0.00 H new ATOM 0 HH TYR A 32 2.263 4.347 -5.729 1.00 0.00 H new ATOM 457 N ASP A 33 0.101 -3.371 -5.654 1.00 0.00 N ATOM 458 CA ASP A 33 -1.290 -3.465 -6.169 1.00 0.00 C ATOM 459 C ASP A 33 -2.215 -3.347 -4.961 1.00 0.00 C ATOM 460 O ASP A 33 -1.836 -3.693 -3.861 1.00 0.00 O ATOM 461 CB ASP A 33 -1.518 -4.831 -6.848 1.00 0.00 C ATOM 462 CG ASP A 33 -3.028 -5.093 -7.090 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.668 -4.252 -7.699 1.00 0.00 O ATOM 464 OD2 ASP A 33 -3.467 -6.139 -6.641 1.00 0.00 O ATOM 0 H ASP A 33 0.327 -4.048 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.481 -2.682 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.984 -4.861 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.104 -5.623 -6.224 1.00 0.00 H new ATOM 469 N PHE A 34 -3.397 -2.857 -5.211 1.00 0.00 N ATOM 470 CA PHE A 34 -4.398 -2.703 -4.125 1.00 0.00 C ATOM 471 C PHE A 34 -5.598 -3.527 -4.569 1.00 0.00 C ATOM 472 O PHE A 34 -5.770 -3.792 -5.744 1.00 0.00 O ATOM 473 CB PHE A 34 -4.824 -1.227 -3.960 1.00 0.00 C ATOM 474 CG PHE A 34 -5.863 -1.150 -2.815 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.490 -1.431 -1.512 1.00 0.00 C ATOM 476 CD2 PHE A 34 -7.180 -0.811 -3.068 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.411 -1.374 -0.484 1.00 0.00 C ATOM 478 CE2 PHE A 34 -8.100 -0.753 -2.040 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.720 -1.034 -0.747 1.00 0.00 C ATOM 0 H PHE A 34 -3.713 -2.554 -6.132 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.990 -3.027 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.959 -0.605 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.252 -0.849 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.466 -1.698 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.491 -0.590 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.104 -1.596 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.125 -0.485 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.442 -0.988 0.055 1.00 0.00 H new ATOM 489 N SER A 35 -6.386 -3.919 -3.606 1.00 0.00 N ATOM 490 CA SER A 35 -7.596 -4.722 -3.913 1.00 0.00 C ATOM 491 C SER A 35 -8.660 -4.305 -2.910 1.00 0.00 C ATOM 492 O SER A 35 -8.667 -4.709 -1.763 1.00 0.00 O ATOM 493 CB SER A 35 -7.259 -6.219 -3.785 1.00 0.00 C ATOM 494 OG SER A 35 -8.457 -6.874 -4.178 1.00 0.00 O ATOM 0 H SER A 35 -6.241 -3.715 -2.617 1.00 0.00 H new ATOM 0 HA SER A 35 -7.954 -4.554 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.423 -6.497 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.978 -6.479 -2.765 1.00 0.00 H new ATOM 0 HG SER A 35 -8.331 -7.845 -4.127 1.00 0.00 H new ATOM 500 N TYR A 36 -9.524 -3.479 -3.431 1.00 0.00 N ATOM 501 CA TYR A 36 -10.666 -2.923 -2.659 1.00 0.00 C ATOM 502 C TYR A 36 -11.679 -4.041 -2.404 1.00 0.00 C ATOM 503 O TYR A 36 -11.963 -4.828 -3.286 1.00 0.00 O ATOM 504 CB TYR A 36 -11.257 -1.795 -3.502 1.00 0.00 C ATOM 505 CG TYR A 36 -12.515 -1.204 -2.849 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.408 -0.219 -1.887 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.771 -1.642 -3.219 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.537 0.317 -1.307 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.898 -1.104 -2.638 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.789 -0.120 -1.678 1.00 0.00 C ATOM 511 OH TYR A 36 -15.917 0.422 -1.097 1.00 0.00 O ATOM 0 H TYR A 36 -9.481 -3.156 -4.398 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.365 -2.530 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.512 -1.010 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.504 -2.172 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.432 0.134 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.871 -2.412 -3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.439 1.086 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.875 -1.455 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.716 -0.001 -1.476 1.00 0.00 H new ATOM 521 N THR A 37 -12.188 -4.073 -1.200 1.00 0.00 N ATOM 522 CA THR A 37 -13.190 -5.113 -0.816 1.00 0.00 C ATOM 523 C THR A 37 -14.179 -4.413 0.121 1.00 0.00 C ATOM 524 O THR A 37 -14.329 -4.765 1.275 1.00 0.00 O ATOM 525 CB THR A 37 -12.451 -6.279 -0.102 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.411 -6.661 -0.992 1.00 0.00 O ATOM 527 CG2 THR A 37 -13.340 -7.534 -0.029 1.00 0.00 C ATOM 0 H THR A 37 -11.950 -3.415 -0.458 1.00 0.00 H new ATOM 0 HA THR A 37 -13.716 -5.536 -1.672 1.00 0.00 H new ATOM 0 HB THR A 37 -12.143 -5.959 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.899 -7.399 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.799 -8.335 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.249 -7.304 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.603 -7.853 -1.038 1.00 0.00 H new ATOM 535 N GLY A 38 -14.831 -3.420 -0.432 1.00 0.00 N ATOM 536 CA GLY A 38 -15.826 -2.625 0.327 1.00 0.00 C ATOM 537 C GLY A 38 -15.148 -1.608 1.263 1.00 0.00 C ATOM 538 O GLY A 38 -15.798 -0.710 1.762 1.00 0.00 O ATOM 0 H GLY A 38 -14.707 -3.126 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.479 -2.099 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.456 -3.294 0.912 1.00 0.00 H new ATOM 542 N GLN A 39 -13.864 -1.782 1.469 1.00 0.00 N ATOM 543 CA GLN A 39 -13.073 -0.875 2.354 1.00 0.00 C ATOM 544 C GLN A 39 -12.040 -0.072 1.562 1.00 0.00 C ATOM 545 O GLN A 39 -11.222 -0.630 0.856 1.00 0.00 O ATOM 546 CB GLN A 39 -12.345 -1.699 3.415 1.00 0.00 C ATOM 547 CG GLN A 39 -13.309 -2.150 4.521 1.00 0.00 C ATOM 548 CD GLN A 39 -14.241 -3.272 4.053 1.00 0.00 C ATOM 549 OE1 GLN A 39 -15.482 -2.991 3.772 1.00 0.00 O flip ATOM 550 NE2 GLN A 39 -13.843 -4.415 3.944 1.00 0.00 N flip ATOM 0 H GLN A 39 -13.320 -2.535 1.048 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.770 -0.179 2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.886 -2.572 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.539 -1.108 3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.736 -2.492 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.905 -1.299 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.872 -4.640 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.479 -5.149 3.634 1.00 0.00 H new ATOM 559 N THR A 40 -12.125 1.224 1.720 1.00 0.00 N ATOM 560 CA THR A 40 -11.189 2.154 1.016 1.00 0.00 C ATOM 561 C THR A 40 -9.865 2.186 1.788 1.00 0.00 C ATOM 562 O THR A 40 -9.804 1.801 2.940 1.00 0.00 O ATOM 563 CB THR A 40 -11.802 3.569 0.977 1.00 0.00 C ATOM 564 OG1 THR A 40 -13.091 3.393 0.405 1.00 0.00 O ATOM 565 CG2 THR A 40 -11.082 4.498 -0.025 1.00 0.00 C ATOM 0 H THR A 40 -12.813 1.684 2.316 1.00 0.00 H new ATOM 0 HA THR A 40 -11.017 1.814 -0.005 1.00 0.00 H new ATOM 0 HB THR A 40 -11.760 3.998 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.545 4.260 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.553 5.481 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.034 4.594 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.151 4.075 -1.027 1.00 0.00 H new ATOM 573 N ALA A 41 -8.852 2.654 1.110 1.00 0.00 N ATOM 574 CA ALA A 41 -7.486 2.755 1.707 1.00 0.00 C ATOM 575 C ALA A 41 -7.018 4.212 1.726 1.00 0.00 C ATOM 576 O ALA A 41 -7.674 5.091 1.206 1.00 0.00 O ATOM 577 CB ALA A 41 -6.521 1.906 0.875 1.00 0.00 C ATOM 0 H ALA A 41 -8.914 2.978 0.145 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.510 2.391 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.520 1.971 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.851 0.867 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.504 2.274 -0.151 1.00 0.00 H new ATOM 583 N ALA A 42 -5.881 4.393 2.341 1.00 0.00 N ATOM 584 CA ALA A 42 -5.240 5.735 2.475 1.00 0.00 C ATOM 585 C ALA A 42 -3.741 5.471 2.625 1.00 0.00 C ATOM 586 O ALA A 42 -3.354 4.532 3.288 1.00 0.00 O ATOM 587 CB ALA A 42 -5.797 6.440 3.720 1.00 0.00 C ATOM 0 H ALA A 42 -5.350 3.637 2.773 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.437 6.377 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.332 7.420 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.876 6.559 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.580 5.842 4.605 1.00 0.00 H new ATOM 593 N LEU A 43 -2.941 6.301 2.009 1.00 0.00 N ATOM 594 CA LEU A 43 -1.459 6.145 2.074 1.00 0.00 C ATOM 595 C LEU A 43 -0.810 7.284 2.849 1.00 0.00 C ATOM 596 O LEU A 43 -1.112 8.438 2.624 1.00 0.00 O ATOM 597 CB LEU A 43 -0.874 6.123 0.652 1.00 0.00 C ATOM 598 CG LEU A 43 -0.867 4.722 -0.034 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.093 3.676 0.781 1.00 0.00 C ATOM 600 CD2 LEU A 43 -2.258 4.208 -0.309 1.00 0.00 C ATOM 0 H LEU A 43 -3.259 7.095 1.453 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.250 5.207 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.444 6.813 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.149 6.498 0.690 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.357 4.872 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.118 2.718 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.942 3.999 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.552 3.567 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.197 3.230 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.805 4.120 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.779 4.902 -0.969 1.00 0.00 H new ATOM 612 N TYR A 44 0.070 6.898 3.734 1.00 0.00 N ATOM 613 CA TYR A 44 0.807 7.871 4.590 1.00 0.00 C ATOM 614 C TYR A 44 2.317 7.815 4.336 1.00 0.00 C ATOM 615 O TYR A 44 2.910 6.754 4.266 1.00 0.00 O ATOM 616 CB TYR A 44 0.480 7.532 6.045 1.00 0.00 C ATOM 617 CG TYR A 44 -0.938 8.020 6.389 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.059 7.372 5.901 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.108 9.126 7.196 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.321 7.828 6.217 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.371 9.581 7.511 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.485 8.934 7.022 1.00 0.00 C ATOM 623 OH TYR A 44 -4.751 9.386 7.336 1.00 0.00 O ATOM 0 H TYR A 44 0.314 5.922 3.903 1.00 0.00 H new ATOM 0 HA TYR A 44 0.497 8.889 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.552 6.456 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.207 8.000 6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.945 6.504 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.242 9.641 7.585 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.188 7.314 5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.488 10.448 8.144 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.683 10.175 7.914 1.00 0.00 H new ATOM 633 N ASN A 45 2.875 8.993 4.210 1.00 0.00 N ATOM 634 CA ASN A 45 4.338 9.167 3.955 1.00 0.00 C ATOM 635 C ASN A 45 5.166 8.708 5.161 1.00 0.00 C ATOM 636 O ASN A 45 6.235 8.150 5.012 1.00 0.00 O ATOM 637 CB ASN A 45 4.611 10.651 3.676 1.00 0.00 C ATOM 638 CG ASN A 45 6.072 10.838 3.247 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.961 10.990 4.062 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.356 10.830 1.975 1.00 0.00 N ATOM 0 H ASN A 45 2.359 9.870 4.276 1.00 0.00 H new ATOM 0 HA ASN A 45 4.626 8.558 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.943 11.012 2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.406 11.242 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.321 10.951 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.613 10.703 1.287 1.00 0.00 H new ATOM 647 N GLN A 46 4.621 8.973 6.319 1.00 0.00 N ATOM 648 CA GLN A 46 5.280 8.609 7.609 1.00 0.00 C ATOM 649 C GLN A 46 4.816 7.232 8.092 1.00 0.00 C ATOM 650 O GLN A 46 3.642 7.024 8.326 1.00 0.00 O ATOM 651 CB GLN A 46 4.924 9.717 8.610 1.00 0.00 C ATOM 652 CG GLN A 46 5.561 11.033 8.105 1.00 0.00 C ATOM 653 CD GLN A 46 4.856 12.245 8.716 1.00 0.00 C ATOM 654 OE1 GLN A 46 4.968 12.535 9.890 1.00 0.00 O ATOM 655 NE2 GLN A 46 4.115 12.977 7.928 1.00 0.00 N ATOM 0 H GLN A 46 3.721 9.440 6.427 1.00 0.00 H new ATOM 0 HA GLN A 46 6.361 8.536 7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.842 9.823 8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.297 9.469 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.620 11.053 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.498 11.079 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.022 12.732 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.629 13.794 8.298 1.00 0.00 H new ATOM 664 N ALA A 47 5.784 6.353 8.214 1.00 0.00 N ATOM 665 CA ALA A 47 5.561 4.942 8.673 1.00 0.00 C ATOM 666 C ALA A 47 4.527 4.813 9.800 1.00 0.00 C ATOM 667 O ALA A 47 4.402 5.687 10.638 1.00 0.00 O ATOM 668 CB ALA A 47 6.898 4.368 9.154 1.00 0.00 C ATOM 0 H ALA A 47 6.759 6.566 8.005 1.00 0.00 H new ATOM 0 HA ALA A 47 5.163 4.390 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.753 3.342 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.616 4.382 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.277 4.971 9.979 1.00 0.00 H new ATOM 674 N GLY A 48 3.821 3.712 9.775 1.00 0.00 N ATOM 675 CA GLY A 48 2.773 3.439 10.803 1.00 0.00 C ATOM 676 C GLY A 48 1.718 4.549 10.795 1.00 0.00 C ATOM 677 O GLY A 48 1.254 4.957 11.842 1.00 0.00 O ATOM 0 H GLY A 48 3.929 2.979 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.300 2.477 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.231 3.371 11.790 1.00 0.00 H new ATOM 681 N CYS A 49 1.389 4.991 9.601 1.00 0.00 N ATOM 682 CA CYS A 49 0.376 6.075 9.377 1.00 0.00 C ATOM 683 C CYS A 49 0.565 7.243 10.372 1.00 0.00 C ATOM 684 O CYS A 49 -0.388 7.853 10.817 1.00 0.00 O ATOM 685 CB CYS A 49 -1.040 5.447 9.521 1.00 0.00 C ATOM 686 SG CYS A 49 -1.490 4.827 11.161 1.00 0.00 S ATOM 0 H CYS A 49 1.799 4.629 8.740 1.00 0.00 H new ATOM 0 HA CYS A 49 0.503 6.493 8.378 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.776 6.195 9.226 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.121 4.623 8.812 1.00 0.00 H new ATOM 691 N SER A 50 1.811 7.512 10.680 1.00 0.00 N ATOM 692 CA SER A 50 2.161 8.609 11.636 1.00 0.00 C ATOM 693 C SER A 50 2.371 9.955 10.924 1.00 0.00 C ATOM 694 O SER A 50 3.327 10.660 11.185 1.00 0.00 O ATOM 695 CB SER A 50 3.441 8.185 12.391 1.00 0.00 C ATOM 696 OG SER A 50 3.111 6.943 13.001 1.00 0.00 O ATOM 0 H SER A 50 2.614 7.009 10.302 1.00 0.00 H new ATOM 0 HA SER A 50 1.334 8.758 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.285 8.079 11.709 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.725 8.928 13.136 1.00 0.00 H new ATOM 0 HG SER A 50 3.420 6.207 12.433 1.00 0.00 H new ATOM 702 N GLY A 51 1.460 10.270 10.039 1.00 0.00 N ATOM 703 CA GLY A 51 1.559 11.555 9.282 1.00 0.00 C ATOM 704 C GLY A 51 0.211 11.953 8.686 1.00 0.00 C ATOM 705 O GLY A 51 -0.810 11.879 9.341 1.00 0.00 O ATOM 0 H GLY A 51 0.651 9.693 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.913 12.344 9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.296 11.454 8.485 1.00 0.00 H new ATOM 709 N VAL A 52 0.277 12.368 7.447 1.00 0.00 N ATOM 710 CA VAL A 52 -0.933 12.803 6.682 1.00 0.00 C ATOM 711 C VAL A 52 -1.109 11.857 5.484 1.00 0.00 C ATOM 712 O VAL A 52 -0.149 11.268 5.023 1.00 0.00 O ATOM 713 CB VAL A 52 -0.714 14.277 6.219 1.00 0.00 C ATOM 714 CG1 VAL A 52 0.527 14.392 5.294 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.958 14.800 5.463 1.00 0.00 C ATOM 0 H VAL A 52 1.147 12.425 6.917 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.835 12.762 7.293 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.550 14.880 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.656 15.430 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.414 14.060 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.383 13.767 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.786 15.829 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.139 14.178 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.826 14.762 6.121 1.00 0.00 H new ATOM 725 N ALA A 53 -2.327 11.737 5.015 1.00 0.00 N ATOM 726 CA ALA A 53 -2.592 10.839 3.849 1.00 0.00 C ATOM 727 C ALA A 53 -1.945 11.408 2.575 1.00 0.00 C ATOM 728 O ALA A 53 -1.348 12.469 2.604 1.00 0.00 O ATOM 729 CB ALA A 53 -4.099 10.708 3.639 1.00 0.00 C ATOM 0 H ALA A 53 -3.145 12.219 5.387 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.161 9.859 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.292 10.053 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.556 10.285 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.526 11.692 3.444 1.00 0.00 H new ATOM 735 N HIS A 54 -2.083 10.685 1.493 1.00 0.00 N ATOM 736 CA HIS A 54 -1.493 11.140 0.198 1.00 0.00 C ATOM 737 C HIS A 54 -2.235 10.498 -0.982 1.00 0.00 C ATOM 738 O HIS A 54 -2.491 11.154 -1.973 1.00 0.00 O ATOM 739 CB HIS A 54 0.000 10.744 0.195 1.00 0.00 C ATOM 740 CG HIS A 54 0.727 11.266 -1.054 1.00 0.00 C ATOM 741 ND1 HIS A 54 1.852 10.803 -1.491 1.00 0.00 N ATOM 742 CD2 HIS A 54 0.405 12.271 -1.953 1.00 0.00 C ATOM 743 CE1 HIS A 54 2.208 11.445 -2.556 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.338 12.368 -2.881 1.00 0.00 N ATOM 0 H HIS A 54 -2.581 9.796 1.451 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.590 12.220 0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.483 11.140 1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.088 9.658 0.240 1.00 0.00 H new ATOM 0 HD1 HIS A 54 2.380 10.044 -1.060 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.481 12.886 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.113 11.244 -3.110 1.00 0.00 H new ATOM 752 N THR A 55 -2.554 9.235 -0.837 1.00 0.00 N ATOM 753 CA THR A 55 -3.278 8.499 -1.923 1.00 0.00 C ATOM 754 C THR A 55 -4.287 7.520 -1.312 1.00 0.00 C ATOM 755 O THR A 55 -3.943 6.744 -0.446 1.00 0.00 O ATOM 756 CB THR A 55 -2.243 7.735 -2.779 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.346 8.733 -3.247 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.883 7.173 -4.062 1.00 0.00 C ATOM 0 H THR A 55 -2.343 8.678 -0.009 1.00 0.00 H new ATOM 0 HA THR A 55 -3.822 9.205 -2.550 1.00 0.00 H new ATOM 0 HB THR A 55 -1.803 6.930 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.426 8.399 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.129 6.641 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.687 6.487 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.287 7.993 -4.656 1.00 0.00 H new ATOM 766 N ARG A 56 -5.507 7.589 -1.784 1.00 0.00 N ATOM 767 CA ARG A 56 -6.596 6.690 -1.281 1.00 0.00 C ATOM 768 C ARG A 56 -7.051 5.763 -2.420 1.00 0.00 C ATOM 769 O ARG A 56 -7.239 6.218 -3.531 1.00 0.00 O ATOM 770 CB ARG A 56 -7.805 7.537 -0.794 1.00 0.00 C ATOM 771 CG ARG A 56 -7.564 8.223 0.587 1.00 0.00 C ATOM 772 CD ARG A 56 -6.488 9.328 0.561 1.00 0.00 C ATOM 773 NE ARG A 56 -6.917 10.397 -0.393 1.00 0.00 N ATOM 774 CZ ARG A 56 -6.366 11.586 -0.382 1.00 0.00 C ATOM 775 NH1 ARG A 56 -5.413 11.874 0.466 1.00 0.00 N ATOM 776 NH2 ARG A 56 -6.801 12.468 -1.239 1.00 0.00 N ATOM 0 H ARG A 56 -5.801 8.242 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.217 6.099 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.026 8.302 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.684 6.896 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.503 8.653 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.272 7.463 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.352 9.745 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.528 8.913 0.255 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.655 10.196 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.090 11.169 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.992 12.803 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.547 12.222 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.395 13.404 -1.259 1.00 0.00 H new ATOM 790 N PHE A 57 -7.215 4.496 -2.112 1.00 0.00 N ATOM 791 CA PHE A 57 -7.660 3.504 -3.147 1.00 0.00 C ATOM 792 C PHE A 57 -9.040 2.933 -2.792 1.00 0.00 C ATOM 793 O PHE A 57 -9.192 2.242 -1.803 1.00 0.00 O ATOM 794 CB PHE A 57 -6.666 2.325 -3.241 1.00 0.00 C ATOM 795 CG PHE A 57 -5.243 2.762 -3.623 1.00 0.00 C ATOM 796 CD1 PHE A 57 -5.002 3.618 -4.686 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.170 2.285 -2.894 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.711 3.986 -5.007 1.00 0.00 C ATOM 799 CE2 PHE A 57 -2.883 2.653 -3.216 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.651 3.503 -4.271 1.00 0.00 C ATOM 0 H PHE A 57 -7.059 4.104 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.705 4.030 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.635 1.807 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.030 1.609 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.829 3.999 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.343 1.617 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.531 4.654 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.054 2.273 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.641 3.791 -4.522 1.00 0.00 H new ATOM 810 N GLY A 58 -10.002 3.251 -3.622 1.00 0.00 N ATOM 811 CA GLY A 58 -11.407 2.773 -3.423 1.00 0.00 C ATOM 812 C GLY A 58 -11.755 1.700 -4.464 1.00 0.00 C ATOM 813 O GLY A 58 -12.908 1.350 -4.631 1.00 0.00 O ATOM 0 H GLY A 58 -9.870 3.835 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.521 2.366 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.099 3.611 -3.508 1.00 0.00 H new ATOM 817 N SER A 59 -10.737 1.212 -5.131 1.00 0.00 N ATOM 818 CA SER A 59 -10.909 0.161 -6.182 1.00 0.00 C ATOM 819 C SER A 59 -9.547 -0.479 -6.497 1.00 0.00 C ATOM 820 O SER A 59 -8.565 0.228 -6.621 1.00 0.00 O ATOM 821 CB SER A 59 -11.501 0.810 -7.455 1.00 0.00 C ATOM 822 OG SER A 59 -10.582 1.834 -7.812 1.00 0.00 O ATOM 0 H SER A 59 -9.771 1.506 -4.987 1.00 0.00 H new ATOM 0 HA SER A 59 -11.587 -0.614 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.607 0.079 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.493 1.220 -7.264 1.00 0.00 H new ATOM 0 HG SER A 59 -9.691 1.605 -7.475 1.00 0.00 H new ATOM 828 N SER A 60 -9.531 -1.788 -6.607 1.00 0.00 N ATOM 829 CA SER A 60 -8.283 -2.556 -6.916 1.00 0.00 C ATOM 830 C SER A 60 -7.429 -1.850 -7.991 1.00 0.00 C ATOM 831 O SER A 60 -7.906 -1.616 -9.086 1.00 0.00 O ATOM 832 CB SER A 60 -8.678 -3.962 -7.415 1.00 0.00 C ATOM 833 OG SER A 60 -9.590 -4.458 -6.444 1.00 0.00 O ATOM 0 H SER A 60 -10.359 -2.372 -6.491 1.00 0.00 H new ATOM 0 HA SER A 60 -7.684 -2.622 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.140 -3.915 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.805 -4.609 -7.502 1.00 0.00 H new ATOM 0 HG SER A 60 -9.325 -5.364 -6.179 1.00 0.00 H new ATOM 839 N ALA A 61 -6.204 -1.534 -7.645 1.00 0.00 N ATOM 840 CA ALA A 61 -5.282 -0.840 -8.613 1.00 0.00 C ATOM 841 C ALA A 61 -3.857 -1.429 -8.648 1.00 0.00 C ATOM 842 O ALA A 61 -3.124 -1.301 -7.687 1.00 0.00 O ATOM 843 CB ALA A 61 -5.220 0.647 -8.227 1.00 0.00 C ATOM 0 H ALA A 61 -5.797 -1.726 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.687 -0.983 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.557 1.174 -8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.219 1.079 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.840 0.743 -7.210 1.00 0.00 H new ATOM 849 N ARG A 62 -3.511 -2.052 -9.754 1.00 0.00 N ATOM 850 CA ARG A 62 -2.160 -2.677 -9.942 1.00 0.00 C ATOM 851 C ARG A 62 -1.094 -1.616 -10.271 1.00 0.00 C ATOM 852 O ARG A 62 -0.672 -1.470 -11.403 1.00 0.00 O ATOM 853 CB ARG A 62 -2.263 -3.706 -11.085 1.00 0.00 C ATOM 854 CG ARG A 62 -3.184 -4.880 -10.693 1.00 0.00 C ATOM 855 CD ARG A 62 -3.231 -5.910 -11.836 1.00 0.00 C ATOM 856 NE ARG A 62 -3.785 -5.252 -13.061 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.757 -5.847 -14.228 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.241 -7.042 -14.354 1.00 0.00 N ATOM 859 NH2 ARG A 62 -4.257 -5.214 -15.252 1.00 0.00 N ATOM 0 H ARG A 62 -4.130 -2.155 -10.558 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.854 -3.165 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.648 -3.221 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.270 -4.084 -11.329 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.819 -5.352 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.188 -4.512 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.232 -6.297 -12.036 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.851 -6.760 -11.552 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.193 -4.320 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.855 -7.520 -13.539 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.224 -7.497 -15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.655 -4.283 -15.131 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.250 -5.650 -16.174 1.00 0.00 H new ATOM 873 N ALA A 63 -0.693 -0.904 -9.251 1.00 0.00 N ATOM 874 CA ALA A 63 0.337 0.168 -9.406 1.00 0.00 C ATOM 875 C ALA A 63 1.785 -0.335 -9.189 1.00 0.00 C ATOM 876 O ALA A 63 2.411 -0.026 -8.193 1.00 0.00 O ATOM 877 CB ALA A 63 -0.048 1.273 -8.413 1.00 0.00 C ATOM 0 H ALA A 63 -1.042 -1.022 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 63 0.342 0.539 -10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.672 2.089 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.044 1.647 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.046 0.869 -7.401 1.00 0.00 H new ATOM 883 N CYS A 64 2.274 -1.096 -10.141 1.00 0.00 N ATOM 884 CA CYS A 64 3.668 -1.657 -10.056 1.00 0.00 C ATOM 885 C CYS A 64 4.769 -0.579 -10.022 1.00 0.00 C ATOM 886 O CYS A 64 5.926 -0.892 -9.829 1.00 0.00 O ATOM 887 CB CYS A 64 3.892 -2.593 -11.263 1.00 0.00 C ATOM 888 SG CYS A 64 2.583 -3.818 -11.523 1.00 0.00 S ATOM 0 H CYS A 64 1.763 -1.357 -10.984 1.00 0.00 H new ATOM 0 HA CYS A 64 3.745 -2.196 -9.112 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.987 -1.986 -12.163 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.839 -3.116 -11.129 1.00 0.00 H new ATOM 893 N ASN A 65 4.393 0.660 -10.209 1.00 0.00 N ATOM 894 CA ASN A 65 5.387 1.776 -10.187 1.00 0.00 C ATOM 895 C ASN A 65 5.876 1.979 -8.730 1.00 0.00 C ATOM 896 O ASN A 65 5.236 1.478 -7.828 1.00 0.00 O ATOM 897 CB ASN A 65 4.677 3.027 -10.730 1.00 0.00 C ATOM 898 CG ASN A 65 3.436 3.350 -9.886 1.00 0.00 C ATOM 899 OD1 ASN A 65 2.406 2.716 -10.004 1.00 0.00 O ATOM 900 ND2 ASN A 65 3.494 4.326 -9.024 1.00 0.00 N ATOM 0 H ASN A 65 3.430 0.949 -10.378 1.00 0.00 H new ATOM 0 HA ASN A 65 6.261 1.563 -10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.362 3.875 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.386 2.866 -11.768 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.679 4.553 -8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.355 4.863 -8.919 1.00 0.00 H new ATOM 907 N PRO A 66 6.970 2.681 -8.517 1.00 0.00 N ATOM 908 CA PRO A 66 7.417 3.085 -7.143 1.00 0.00 C ATOM 909 C PRO A 66 6.438 4.087 -6.499 1.00 0.00 C ATOM 910 O PRO A 66 5.463 4.472 -7.114 1.00 0.00 O ATOM 911 CB PRO A 66 8.819 3.675 -7.322 1.00 0.00 C ATOM 912 CG PRO A 66 9.107 3.741 -8.834 1.00 0.00 C ATOM 913 CD PRO A 66 7.901 3.153 -9.585 1.00 0.00 C ATOM 0 HA PRO A 66 7.436 2.235 -6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.876 4.669 -6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.562 3.057 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.280 4.772 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.012 3.181 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.427 3.903 -10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.204 2.332 -10.235 1.00 0.00 H new ATOM 921 N PHE A 67 6.726 4.481 -5.280 1.00 0.00 N ATOM 922 CA PHE A 67 5.834 5.455 -4.569 1.00 0.00 C ATOM 923 C PHE A 67 6.598 6.343 -3.576 1.00 0.00 C ATOM 924 O PHE A 67 7.758 6.643 -3.780 1.00 0.00 O ATOM 925 CB PHE A 67 4.718 4.641 -3.847 1.00 0.00 C ATOM 926 CG PHE A 67 5.169 3.658 -2.727 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.330 3.793 -1.970 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.342 2.581 -2.445 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.637 2.894 -0.980 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.651 1.685 -1.455 1.00 0.00 C ATOM 931 CZ PHE A 67 5.798 1.845 -0.724 1.00 0.00 C ATOM 0 H PHE A 67 7.539 4.171 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 67 5.401 6.138 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.011 5.348 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.175 4.070 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.999 4.618 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.436 2.446 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.542 3.015 -0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.991 0.854 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.041 1.140 0.057 1.00 0.00 H new ATOM 941 N GLY A 68 5.910 6.730 -2.527 1.00 0.00 N ATOM 942 CA GLY A 68 6.513 7.589 -1.474 1.00 0.00 C ATOM 943 C GLY A 68 5.774 7.418 -0.140 1.00 0.00 C ATOM 944 O GLY A 68 5.943 8.243 0.738 1.00 0.00 O ATOM 0 H GLY A 68 4.936 6.478 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.565 7.332 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.475 8.633 -1.785 1.00 0.00 H new ATOM 948 N TRP A 69 4.981 6.374 -0.003 1.00 0.00 N ATOM 949 CA TRP A 69 4.240 6.168 1.279 1.00 0.00 C ATOM 950 C TRP A 69 4.986 5.108 2.094 1.00 0.00 C ATOM 951 O TRP A 69 5.238 4.029 1.592 1.00 0.00 O ATOM 952 CB TRP A 69 2.837 5.680 0.973 1.00 0.00 C ATOM 953 CG TRP A 69 2.241 6.457 -0.212 1.00 0.00 C ATOM 954 CD1 TRP A 69 1.957 7.795 -0.270 1.00 0.00 C ATOM 955 CD2 TRP A 69 1.894 5.899 -1.400 1.00 0.00 C ATOM 956 NE1 TRP A 69 1.465 7.965 -1.473 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.384 6.893 -2.228 1.00 0.00 C ATOM 958 CE3 TRP A 69 1.965 4.584 -1.852 1.00 0.00 C ATOM 959 CZ2 TRP A 69 0.947 6.576 -3.509 1.00 0.00 C ATOM 960 CZ3 TRP A 69 1.528 4.265 -3.130 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.017 5.260 -3.963 1.00 0.00 C ATOM 0 H TRP A 69 4.819 5.665 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 69 4.178 7.101 1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.859 4.615 0.743 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.203 5.803 1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.104 8.539 0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.161 8.880 -1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.360 3.812 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.553 7.349 -4.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.584 3.245 -3.480 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.676 5.011 -4.957 1.00 0.00 H new ATOM 972 N LYS A 70 5.319 5.433 3.318 1.00 0.00 N ATOM 973 CA LYS A 70 6.047 4.455 4.174 1.00 0.00 C ATOM 974 C LYS A 70 5.024 3.609 4.957 1.00 0.00 C ATOM 975 O LYS A 70 5.405 2.781 5.759 1.00 0.00 O ATOM 976 CB LYS A 70 6.966 5.252 5.125 1.00 0.00 C ATOM 977 CG LYS A 70 8.080 4.368 5.728 1.00 0.00 C ATOM 978 CD LYS A 70 9.051 3.869 4.620 1.00 0.00 C ATOM 979 CE LYS A 70 10.221 3.094 5.252 1.00 0.00 C ATOM 980 NZ LYS A 70 11.022 3.991 6.134 1.00 0.00 N ATOM 0 H LYS A 70 5.118 6.331 3.758 1.00 0.00 H new ATOM 0 HA LYS A 70 6.654 3.776 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.416 6.083 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.370 5.683 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.635 4.934 6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.636 3.514 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.517 3.228 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.432 4.717 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.838 2.252 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.857 2.681 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.967 3.581 6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.115 4.925 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.543 4.093 7.052 1.00 0.00 H new ATOM 994 N SER A 71 3.760 3.852 4.695 1.00 0.00 N ATOM 995 CA SER A 71 2.652 3.107 5.370 1.00 0.00 C ATOM 996 C SER A 71 1.317 3.260 4.642 1.00 0.00 C ATOM 997 O SER A 71 1.195 4.016 3.698 1.00 0.00 O ATOM 998 CB SER A 71 2.503 3.607 6.819 1.00 0.00 C ATOM 999 OG SER A 71 2.403 5.015 6.735 1.00 0.00 O ATOM 0 H SER A 71 3.445 4.553 4.025 1.00 0.00 H new ATOM 0 HA SER A 71 2.915 2.049 5.355 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.618 3.180 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.360 3.312 7.424 1.00 0.00 H new ATOM 0 HG SER A 71 2.968 5.425 7.423 1.00 0.00 H new ATOM 1005 N ILE A 72 0.358 2.515 5.133 1.00 0.00 N ATOM 1006 CA ILE A 72 -1.014 2.516 4.559 1.00 0.00 C ATOM 1007 C ILE A 72 -2.087 2.234 5.623 1.00 0.00 C ATOM 1008 O ILE A 72 -2.066 1.229 6.309 1.00 0.00 O ATOM 1009 CB ILE A 72 -1.056 1.449 3.416 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.497 1.299 2.864 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.544 0.069 3.926 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -2.454 0.737 1.450 1.00 0.00 C ATOM 0 H ILE A 72 0.478 1.890 5.930 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.240 3.506 4.162 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.401 1.792 2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.076 0.639 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.999 2.267 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.583 -0.656 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.484 0.169 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.174 -0.272 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.470 0.634 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.891 1.413 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.970 -0.240 1.461 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.990 3.173 5.703 1.00 0.00 N ATOM 1025 CA PHE A 73 -4.132 3.115 6.658 1.00 0.00 C ATOM 1026 C PHE A 73 -5.332 2.625 5.830 1.00 0.00 C ATOM 1027 O PHE A 73 -5.619 3.202 4.800 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.358 4.531 7.216 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.553 4.552 8.179 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -6.842 4.668 7.692 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -5.356 4.456 9.544 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -7.916 4.686 8.555 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -6.431 4.474 10.408 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.712 4.589 9.914 1.00 0.00 C ATOM 0 H PHE A 73 -2.981 4.011 5.121 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.965 2.450 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.461 4.870 7.734 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.534 5.227 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.008 4.745 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.354 4.366 9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.919 4.776 8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.268 4.398 11.473 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.554 4.603 10.590 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.994 1.590 6.290 1.00 0.00 N ATOM 1045 CA ILE A 74 -7.176 1.052 5.534 1.00 0.00 C ATOM 1046 C ILE A 74 -8.381 0.830 6.457 1.00 0.00 C ATOM 1047 O ILE A 74 -8.235 0.443 7.601 1.00 0.00 O ATOM 1048 CB ILE A 74 -6.792 -0.306 4.859 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -5.444 -0.164 4.094 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -7.905 -0.680 3.842 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.982 -1.523 3.517 1.00 0.00 C ATOM 0 H ILE A 74 -5.770 1.094 7.153 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.453 1.787 4.778 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.689 -1.075 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.556 0.558 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.681 0.227 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.655 -1.625 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.857 -0.779 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.985 0.102 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.038 -1.392 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.847 -2.236 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.736 -1.900 2.826 1.00 0.00 H new ATOM 1063 N GLN A 75 -9.541 1.090 5.907 1.00 0.00 N ATOM 1064 CA GLN A 75 -10.826 0.927 6.653 1.00 0.00 C ATOM 1065 C GLN A 75 -11.145 -0.562 6.831 1.00 0.00 C ATOM 1066 O GLN A 75 -10.554 -1.390 6.163 1.00 0.00 O ATOM 1067 CB GLN A 75 -11.924 1.617 5.857 1.00 0.00 C ATOM 1068 CG GLN A 75 -11.674 3.129 5.914 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.973 3.663 7.324 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -11.094 3.823 8.146 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -13.205 3.950 7.643 1.00 0.00 N ATOM 0 H GLN A 75 -9.653 1.417 4.947 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.749 1.374 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.921 1.269 4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.903 1.377 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.639 3.344 5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.304 3.637 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.952 3.820 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.421 4.305 8.575 1.00 0.00 H new ATOM 1080 N CYS A 76 -12.064 -0.861 7.718 1.00 0.00 N ATOM 1081 CA CYS A 76 -12.441 -2.292 7.958 1.00 0.00 C ATOM 1082 C CYS A 76 -13.951 -2.501 7.724 1.00 0.00 C ATOM 1083 O CYS A 76 -14.690 -1.579 8.031 1.00 0.00 O ATOM 1084 CB CYS A 76 -12.085 -2.687 9.402 1.00 0.00 C ATOM 1085 SG CYS A 76 -11.585 -4.417 9.558 1.00 0.00 S ATOM 1086 OXT CYS A 76 -14.282 -3.577 7.249 1.00 0.00 O ATOM 0 H CYS A 76 -12.568 -0.179 8.285 1.00 0.00 H new ATOM 0 HA CYS A 76 -11.887 -2.919 7.259 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.278 -2.048 9.759 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.945 -2.504 10.046 1.00 0.00 H new