USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1091 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 90 TYR OH : rot 78:sc= -0.49 USER MOD Set 1.2: A 95 GLN : amide:sc= -2.32 K(o=-2.8,f=-4.6!) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.25 X(o=0.25,f=0.15) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 TYR OH : rot 60:sc= -2.09! USER MOD Set 3.2: A 45 THR OG1 : rot 170:sc= -0.592 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 7 SER OG : rot 15:sc= 0.484 USER MOD Single : A 14 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.3) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -5.47! C(o=-5.5!,f=-4.5!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 25 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.031) USER MOD Single : A 31 CYS SG : rot -74:sc= 0.696 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -5.01! C(o=-5!,f=-6!) USER MOD Single : A 43 SER OG : rot -113:sc= 0.312 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00694 USER MOD Single : A 60 THR OG1 : rot 8:sc= 0.542! USER MOD Single : A 63 TYR OH : rot -15:sc= -2.34! USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -63:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= 0.342 (180deg=0.0194) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.19) USER MOD Single : A 71 HIS : no HE2:sc= -0.3 K(o=-0.3,f=-2.9!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.44) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= -0.0497 (180deg=-0.353) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 170:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.88 K(o=-3.9,f=-5!) USER MOD Single : A 102 THR OG1 : rot 52:sc= 0.121 USER MOD Single : A 105 SER OG : rot -142:sc= 0.259 USER MOD Single : A 118 HIS : no HE2:sc= -0.658 K(o=-0.66,f=-1.6) USER MOD Single : A 125 THR OG1 : rot -7:sc= -4.79! USER MOD Single : A 126 MET CE :methyl -127:sc= -3.51! (180deg=-7.14!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.203 2.298 24.736 1.00 0.00 N ATOM 2 CA GLY A 1 10.026 2.813 23.983 1.00 0.00 C ATOM 3 C GLY A 1 8.856 1.846 24.000 1.00 0.00 C ATOM 4 O GLY A 1 8.745 0.990 23.123 1.00 0.00 O ATOM 0 H1 GLY A 1 11.974 2.995 24.694 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.937 2.136 25.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.522 1.403 24.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.713 3.765 24.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.316 3.009 22.951 1.00 0.00 H new ATOM 10 N PRO A 2 7.961 1.957 24.997 1.00 0.00 N ATOM 11 CA PRO A 2 6.794 1.077 25.112 1.00 0.00 C ATOM 12 C PRO A 2 5.759 1.342 24.023 1.00 0.00 C ATOM 13 O PRO A 2 5.078 0.426 23.564 1.00 0.00 O ATOM 14 CB PRO A 2 6.223 1.422 26.488 1.00 0.00 C ATOM 15 CG PRO A 2 6.670 2.819 26.746 1.00 0.00 C ATOM 16 CD PRO A 2 8.016 2.950 26.087 1.00 0.00 C ATOM 0 HA PRO A 2 7.063 0.027 24.999 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.136 1.347 26.495 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.595 0.740 27.253 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.962 3.538 26.334 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.738 3.016 27.816 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.180 3.958 25.705 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.827 2.737 26.784 1.00 0.00 H new ATOM 24 N TYR A 3 5.649 2.601 23.613 1.00 0.00 N ATOM 25 CA TYR A 3 4.698 2.988 22.578 1.00 0.00 C ATOM 26 C TYR A 3 5.422 3.484 21.331 1.00 0.00 C ATOM 27 O TYR A 3 6.648 3.600 21.319 1.00 0.00 O ATOM 28 CB TYR A 3 3.755 4.074 23.099 1.00 0.00 C ATOM 29 CG TYR A 3 4.471 5.300 23.620 1.00 0.00 C ATOM 30 CD1 TYR A 3 4.867 6.316 22.758 1.00 0.00 C ATOM 31 CD2 TYR A 3 4.750 5.443 24.974 1.00 0.00 C ATOM 32 CE1 TYR A 3 5.521 7.438 23.229 1.00 0.00 C ATOM 33 CE2 TYR A 3 5.403 6.563 25.453 1.00 0.00 C ATOM 34 CZ TYR A 3 5.787 7.556 24.577 1.00 0.00 C ATOM 35 OH TYR A 3 6.437 8.672 25.050 1.00 0.00 O ATOM 0 H TYR A 3 6.207 3.371 23.982 1.00 0.00 H new ATOM 0 HA TYR A 3 4.114 2.107 22.312 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.079 4.372 22.297 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.140 3.657 23.896 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.660 6.227 21.702 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.452 4.667 25.663 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.822 8.218 22.546 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.611 6.660 26.508 1.00 0.00 H new ATOM 0 HH TYR A 3 6.546 8.600 26.021 1.00 0.00 H new ATOM 45 N GLY A 4 4.657 3.774 20.284 1.00 0.00 N ATOM 46 CA GLY A 4 5.245 4.254 19.047 1.00 0.00 C ATOM 47 C GLY A 4 5.665 3.124 18.128 1.00 0.00 C ATOM 48 O GLY A 4 6.685 3.217 17.445 1.00 0.00 O ATOM 0 H GLY A 4 3.641 3.685 20.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.527 4.891 18.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.112 4.873 19.277 1.00 0.00 H new ATOM 52 N HIS A 5 4.878 2.053 18.112 1.00 0.00 N ATOM 53 CA HIS A 5 5.173 0.900 17.270 1.00 0.00 C ATOM 54 C HIS A 5 5.116 1.274 15.792 1.00 0.00 C ATOM 55 O HIS A 5 6.116 1.185 15.080 1.00 0.00 O ATOM 56 CB HIS A 5 4.190 -0.237 17.563 1.00 0.00 C ATOM 57 CG HIS A 5 4.845 -1.469 18.106 1.00 0.00 C ATOM 58 ND1 HIS A 5 5.410 -1.530 19.363 1.00 0.00 N ATOM 59 CD2 HIS A 5 5.024 -2.693 17.555 1.00 0.00 C ATOM 60 CE1 HIS A 5 5.908 -2.738 19.561 1.00 0.00 C ATOM 61 NE2 HIS A 5 5.686 -3.463 18.480 1.00 0.00 N ATOM 0 H HIS A 5 4.031 1.960 18.673 1.00 0.00 H new ATOM 0 HA HIS A 5 6.184 0.563 17.499 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.445 0.113 18.277 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.658 -0.492 16.646 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.706 -3.006 16.571 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.411 -3.075 20.455 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.961 -4.437 18.353 1.00 0.00 H new ATOM 70 N GLN A 6 3.940 1.694 15.338 1.00 0.00 N ATOM 71 CA GLN A 6 3.752 2.082 13.944 1.00 0.00 C ATOM 72 C GLN A 6 4.046 0.913 13.010 1.00 0.00 C ATOM 73 O GLN A 6 4.401 -0.178 13.457 1.00 0.00 O ATOM 74 CB GLN A 6 4.653 3.272 13.600 1.00 0.00 C ATOM 75 CG GLN A 6 3.882 4.532 13.240 1.00 0.00 C ATOM 76 CD GLN A 6 4.698 5.492 12.396 1.00 0.00 C ATOM 77 OE1 GLN A 6 5.894 5.675 12.623 1.00 0.00 O ATOM 78 NE2 GLN A 6 4.053 6.111 11.414 1.00 0.00 N ATOM 0 H GLN A 6 3.103 1.775 15.915 1.00 0.00 H new ATOM 0 HA GLN A 6 2.711 2.375 13.809 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.303 3.483 14.449 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.299 2.999 12.765 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.976 4.258 12.699 1.00 0.00 H new ATOM 0 HG3 GLN A 6 3.567 5.035 14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.061 5.929 11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.550 6.768 10.812 1.00 0.00 H new ATOM 87 N SER A 7 3.897 1.148 11.710 1.00 0.00 N ATOM 88 CA SER A 7 4.147 0.115 10.713 1.00 0.00 C ATOM 89 C SER A 7 4.559 0.733 9.380 1.00 0.00 C ATOM 90 O SER A 7 4.257 1.893 9.104 1.00 0.00 O ATOM 91 CB SER A 7 2.901 -0.752 10.523 1.00 0.00 C ATOM 92 OG SER A 7 2.740 -1.659 11.601 1.00 0.00 O ATOM 0 H SER A 7 3.604 2.045 11.323 1.00 0.00 H new ATOM 0 HA SER A 7 4.965 -0.510 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.020 -0.115 10.445 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.979 -1.305 9.587 1.00 0.00 H new ATOM 0 HG SER A 7 3.309 -1.382 12.350 1.00 0.00 H new ATOM 98 N GLY A 8 5.251 -0.051 8.559 1.00 0.00 N ATOM 99 CA GLY A 8 5.693 0.436 7.265 1.00 0.00 C ATOM 100 C GLY A 8 5.450 -0.567 6.153 1.00 0.00 C ATOM 101 O GLY A 8 6.160 -0.571 5.148 1.00 0.00 O ATOM 0 H GLY A 8 5.513 -1.015 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.172 1.365 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.756 0.670 7.312 1.00 0.00 H new ATOM 105 N ALA A 9 4.445 -1.416 6.335 1.00 0.00 N ATOM 106 CA ALA A 9 4.109 -2.429 5.341 1.00 0.00 C ATOM 107 C ALA A 9 2.855 -3.197 5.746 1.00 0.00 C ATOM 108 O ALA A 9 2.260 -2.927 6.789 1.00 0.00 O ATOM 109 CB ALA A 9 5.276 -3.384 5.143 1.00 0.00 C ATOM 0 H ALA A 9 3.848 -1.423 7.162 1.00 0.00 H new ATOM 0 HA ALA A 9 3.906 -1.924 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.010 -4.134 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.148 -2.827 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.507 -3.876 6.087 1.00 0.00 H new ATOM 115 N VAL A 10 2.457 -4.155 4.914 1.00 0.00 N ATOM 116 CA VAL A 10 1.274 -4.960 5.187 1.00 0.00 C ATOM 117 C VAL A 10 1.642 -6.429 5.378 1.00 0.00 C ATOM 118 O VAL A 10 1.993 -7.119 4.421 1.00 0.00 O ATOM 119 CB VAL A 10 0.241 -4.845 4.049 1.00 0.00 C ATOM 120 CG1 VAL A 10 -1.035 -5.593 4.402 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.056 -3.384 3.745 1.00 0.00 C ATOM 0 H VAL A 10 2.937 -4.392 4.046 1.00 0.00 H new ATOM 0 HA VAL A 10 0.834 -4.575 6.107 1.00 0.00 H new ATOM 0 HB VAL A 10 0.664 -5.302 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.750 -5.498 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.806 -6.646 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.465 -5.171 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.787 -3.321 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.456 -2.901 4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.862 -2.882 3.441 1.00 0.00 H new ATOM 131 N TYR A 11 1.561 -6.903 6.618 1.00 0.00 N ATOM 132 CA TYR A 11 1.888 -8.292 6.925 1.00 0.00 C ATOM 133 C TYR A 11 0.619 -9.132 7.040 1.00 0.00 C ATOM 134 O TYR A 11 -0.209 -8.906 7.923 1.00 0.00 O ATOM 135 CB TYR A 11 2.681 -8.352 8.236 1.00 0.00 C ATOM 136 CG TYR A 11 3.019 -9.751 8.702 1.00 0.00 C ATOM 137 CD1 TYR A 11 2.033 -10.606 9.184 1.00 0.00 C ATOM 138 CD2 TYR A 11 4.328 -10.215 8.668 1.00 0.00 C ATOM 139 CE1 TYR A 11 2.344 -11.880 9.618 1.00 0.00 C ATOM 140 CE2 TYR A 11 4.646 -11.488 9.100 1.00 0.00 C ATOM 141 CZ TYR A 11 3.651 -12.317 9.574 1.00 0.00 C ATOM 142 OH TYR A 11 3.964 -13.585 10.005 1.00 0.00 O ATOM 0 H TYR A 11 1.273 -6.348 7.424 1.00 0.00 H new ATOM 0 HA TYR A 11 2.493 -8.699 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.607 -7.791 8.112 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.107 -7.852 9.016 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.008 -10.268 9.219 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.110 -9.569 8.297 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.567 -12.531 9.990 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.669 -11.832 9.067 1.00 0.00 H new ATOM 0 HH TYR A 11 3.471 -14.243 9.472 1.00 0.00 H new ATOM 152 N VAL A 12 0.473 -10.105 6.144 1.00 0.00 N ATOM 153 CA VAL A 12 -0.695 -10.980 6.151 1.00 0.00 C ATOM 154 C VAL A 12 -0.304 -12.447 6.321 1.00 0.00 C ATOM 155 O VAL A 12 0.246 -13.062 5.408 1.00 0.00 O ATOM 156 CB VAL A 12 -1.532 -10.811 4.867 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.827 -11.601 4.966 1.00 0.00 C ATOM 158 CG2 VAL A 12 -1.815 -9.338 4.617 1.00 0.00 C ATOM 0 H VAL A 12 1.147 -10.307 5.406 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.301 -10.684 7.008 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.963 -11.201 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.404 -11.469 4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.599 -12.658 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.408 -11.243 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.407 -9.230 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.368 -8.925 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.873 -8.801 4.503 1.00 0.00 H new ATOM 168 N GLY A 13 -0.602 -13.004 7.491 1.00 0.00 N ATOM 169 CA GLY A 13 -0.288 -14.400 7.758 1.00 0.00 C ATOM 170 C GLY A 13 1.154 -14.761 7.445 1.00 0.00 C ATOM 171 O GLY A 13 2.083 -14.119 7.934 1.00 0.00 O ATOM 0 H GLY A 13 -1.056 -12.514 8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.490 -14.617 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.950 -15.034 7.168 1.00 0.00 H new ATOM 175 N ASN A 14 1.337 -15.799 6.630 1.00 0.00 N ATOM 176 CA ASN A 14 2.672 -16.256 6.254 1.00 0.00 C ATOM 177 C ASN A 14 3.189 -15.533 5.010 1.00 0.00 C ATOM 178 O ASN A 14 4.184 -15.942 4.417 1.00 0.00 O ATOM 179 CB ASN A 14 2.663 -17.766 6.007 1.00 0.00 C ATOM 180 CG ASN A 14 1.667 -18.170 4.939 1.00 0.00 C ATOM 181 OD1 ASN A 14 0.519 -18.502 5.237 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.102 -18.146 3.685 1.00 0.00 N ATOM 0 H ASN A 14 0.576 -16.339 6.218 1.00 0.00 H new ATOM 0 HA ASN A 14 3.343 -16.024 7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.661 -18.089 5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.424 -18.282 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.477 -18.409 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.061 -17.864 3.483 1.00 0.00 H new ATOM 189 N TYR A 15 2.515 -14.454 4.628 1.00 0.00 N ATOM 190 CA TYR A 15 2.910 -13.663 3.465 1.00 0.00 C ATOM 191 C TYR A 15 2.965 -12.186 3.843 1.00 0.00 C ATOM 192 O TYR A 15 2.002 -11.646 4.387 1.00 0.00 O ATOM 193 CB TYR A 15 1.911 -13.845 2.320 1.00 0.00 C ATOM 194 CG TYR A 15 2.070 -15.123 1.523 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.290 -15.782 1.427 1.00 0.00 C ATOM 196 CD2 TYR A 15 0.980 -15.666 0.861 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.412 -16.945 0.693 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.094 -16.828 0.127 1.00 0.00 C ATOM 199 CZ TYR A 15 2.311 -17.465 0.046 1.00 0.00 C ATOM 200 OH TYR A 15 2.431 -18.625 -0.684 1.00 0.00 O ATOM 0 H TYR A 15 1.687 -14.104 5.110 1.00 0.00 H new ATOM 0 HA TYR A 15 3.892 -14.004 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.902 -13.815 2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.003 -12.998 1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.154 -15.379 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.023 -15.169 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.367 -17.446 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.233 -17.236 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 15 1.563 -18.856 -1.076 1.00 0.00 H new ATOM 210 N LYS A 16 4.080 -11.529 3.555 1.00 0.00 N ATOM 211 CA LYS A 16 4.221 -10.111 3.874 1.00 0.00 C ATOM 212 C LYS A 16 4.485 -9.297 2.614 1.00 0.00 C ATOM 213 O LYS A 16 5.524 -9.454 1.974 1.00 0.00 O ATOM 214 CB LYS A 16 5.356 -9.902 4.877 1.00 0.00 C ATOM 215 CG LYS A 16 5.451 -8.478 5.400 1.00 0.00 C ATOM 216 CD LYS A 16 6.876 -8.119 5.785 1.00 0.00 C ATOM 217 CE LYS A 16 6.941 -6.770 6.484 1.00 0.00 C ATOM 218 NZ LYS A 16 7.947 -6.761 7.581 1.00 0.00 N ATOM 0 H LYS A 16 4.894 -11.948 3.105 1.00 0.00 H new ATOM 0 HA LYS A 16 3.287 -9.769 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.216 -10.581 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.301 -10.171 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.094 -7.785 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.799 -8.363 6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.282 -8.890 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.501 -8.098 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.189 -5.996 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.960 -6.524 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.960 -5.824 8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.697 -7.482 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.888 -6.971 7.191 1.00 0.00 H new ATOM 232 N VAL A 17 3.545 -8.421 2.256 1.00 0.00 N ATOM 233 CA VAL A 17 3.711 -7.596 1.066 1.00 0.00 C ATOM 234 C VAL A 17 4.198 -6.194 1.437 1.00 0.00 C ATOM 235 O VAL A 17 3.550 -5.475 2.199 1.00 0.00 O ATOM 236 CB VAL A 17 2.403 -7.512 0.224 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.506 -8.712 0.489 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.636 -6.219 0.481 1.00 0.00 C ATOM 0 H VAL A 17 2.675 -8.268 2.766 1.00 0.00 H new ATOM 0 HA VAL A 17 4.468 -8.078 0.448 1.00 0.00 H new ATOM 0 HB VAL A 17 2.703 -7.518 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.600 -8.629 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.035 -9.627 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.240 -8.741 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.732 -6.205 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.365 -6.160 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.263 -5.366 0.220 1.00 0.00 H new ATOM 248 N VAL A 18 5.347 -5.820 0.887 1.00 0.00 N ATOM 249 CA VAL A 18 5.937 -4.513 1.144 1.00 0.00 C ATOM 250 C VAL A 18 6.474 -3.892 -0.143 1.00 0.00 C ATOM 251 O VAL A 18 6.709 -4.592 -1.130 1.00 0.00 O ATOM 252 CB VAL A 18 7.074 -4.605 2.183 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.206 -5.478 1.668 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.582 -3.218 2.546 1.00 0.00 C ATOM 0 H VAL A 18 5.891 -6.408 0.256 1.00 0.00 H new ATOM 0 HA VAL A 18 5.147 -3.877 1.544 1.00 0.00 H new ATOM 0 HB VAL A 18 6.675 -5.068 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.996 -5.528 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.830 -6.482 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.605 -5.051 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.383 -3.305 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.961 -2.724 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.766 -2.630 2.967 1.00 0.00 H new ATOM 264 N ASN A 19 6.682 -2.578 -0.128 1.00 0.00 N ATOM 265 CA ASN A 19 7.212 -1.878 -1.292 1.00 0.00 C ATOM 266 C ASN A 19 8.585 -2.433 -1.661 1.00 0.00 C ATOM 267 O ASN A 19 9.385 -2.757 -0.782 1.00 0.00 O ATOM 268 CB ASN A 19 7.314 -0.377 -1.014 1.00 0.00 C ATOM 269 CG ASN A 19 5.993 0.223 -0.571 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.841 0.636 0.578 1.00 0.00 O ATOM 271 ND2 ASN A 19 5.031 0.273 -1.485 1.00 0.00 N ATOM 0 H ASN A 19 6.492 -1.979 0.675 1.00 0.00 H new ATOM 0 HA ASN A 19 6.530 -2.033 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.065 -0.204 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.658 0.133 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.121 0.666 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.203 -0.082 -2.426 1.00 0.00 H new ATOM 278 N ARG A 20 8.854 -2.553 -2.956 1.00 0.00 N ATOM 279 CA ARG A 20 10.133 -3.083 -3.420 1.00 0.00 C ATOM 280 C ARG A 20 11.300 -2.274 -2.865 1.00 0.00 C ATOM 281 O ARG A 20 12.297 -2.836 -2.410 1.00 0.00 O ATOM 282 CB ARG A 20 10.187 -3.102 -4.949 1.00 0.00 C ATOM 283 CG ARG A 20 10.077 -1.728 -5.589 1.00 0.00 C ATOM 284 CD ARG A 20 11.443 -1.177 -5.965 1.00 0.00 C ATOM 285 NE ARG A 20 12.205 -2.117 -6.785 1.00 0.00 N ATOM 286 CZ ARG A 20 13.527 -2.069 -6.936 1.00 0.00 C ATOM 287 NH1 ARG A 20 14.238 -1.128 -6.328 1.00 0.00 N ATOM 288 NH2 ARG A 20 14.140 -2.965 -7.699 1.00 0.00 N ATOM 0 H ARG A 20 8.208 -2.292 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 20 10.220 -4.105 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.123 -3.564 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.379 -3.731 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.451 -1.789 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.584 -1.043 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.319 -0.240 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.004 -0.949 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 20 11.693 -2.854 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.772 -0.436 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.250 -1.097 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.598 -3.690 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.153 -2.929 -7.815 1.00 0.00 H new ATOM 302 N HIS A 21 11.175 -0.955 -2.893 1.00 0.00 N ATOM 303 CA HIS A 21 12.225 -0.086 -2.384 1.00 0.00 C ATOM 304 C HIS A 21 12.360 -0.216 -0.869 1.00 0.00 C ATOM 305 O HIS A 21 13.313 0.293 -0.279 1.00 0.00 O ATOM 306 CB HIS A 21 11.940 1.369 -2.759 1.00 0.00 C ATOM 307 CG HIS A 21 13.175 2.169 -3.034 1.00 0.00 C ATOM 308 ND1 HIS A 21 13.920 2.031 -4.187 1.00 0.00 N ATOM 309 CD2 HIS A 21 13.799 3.118 -2.297 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.947 2.861 -4.147 1.00 0.00 C ATOM 311 NE2 HIS A 21 14.897 3.531 -3.011 1.00 0.00 N ATOM 0 H HIS A 21 10.360 -0.465 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 21 13.166 -0.395 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.300 1.390 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.383 1.842 -1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.491 3.482 -1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 21 15.700 2.972 -4.914 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.566 4.241 -2.712 1.00 0.00 H new ATOM 320 N LEU A 22 11.398 -0.888 -0.238 1.00 0.00 N ATOM 321 CA LEU A 22 11.419 -1.062 1.209 1.00 0.00 C ATOM 322 C LEU A 22 11.577 -2.528 1.618 1.00 0.00 C ATOM 323 O LEU A 22 11.601 -2.832 2.810 1.00 0.00 O ATOM 324 CB LEU A 22 10.141 -0.489 1.823 1.00 0.00 C ATOM 325 CG LEU A 22 10.328 0.209 3.172 1.00 0.00 C ATOM 326 CD1 LEU A 22 10.709 1.668 2.970 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.063 0.098 4.008 1.00 0.00 C ATOM 0 H LEU A 22 10.600 -1.318 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 22 12.288 -0.522 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.705 0.222 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.421 -1.298 1.946 1.00 0.00 H new ATOM 0 HG LEU A 22 11.139 -0.286 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.838 2.148 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.642 1.726 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.920 2.177 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.213 0.600 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.234 0.568 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.833 -0.953 4.182 1.00 0.00 H new ATOM 339 N ALA A 23 11.686 -3.441 0.650 1.00 0.00 N ATOM 340 CA ALA A 23 11.840 -4.853 0.983 1.00 0.00 C ATOM 341 C ALA A 23 13.306 -5.207 1.199 1.00 0.00 C ATOM 342 O ALA A 23 14.157 -4.929 0.355 1.00 0.00 O ATOM 343 CB ALA A 23 11.225 -5.728 -0.096 1.00 0.00 C ATOM 0 H ALA A 23 11.671 -3.232 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 23 11.310 -5.040 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.350 -6.777 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.163 -5.501 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.720 -5.534 -1.048 1.00 0.00 H new ATOM 349 N THR A 24 13.589 -5.815 2.346 1.00 0.00 N ATOM 350 CA THR A 24 14.950 -6.205 2.694 1.00 0.00 C ATOM 351 C THR A 24 15.385 -7.432 1.899 1.00 0.00 C ATOM 352 O THR A 24 14.562 -8.109 1.286 1.00 0.00 O ATOM 353 CB THR A 24 15.050 -6.474 4.197 1.00 0.00 C ATOM 354 OG1 THR A 24 16.279 -7.107 4.517 1.00 0.00 O ATOM 355 CG2 THR A 24 13.921 -7.337 4.725 1.00 0.00 C ATOM 0 H THR A 24 12.891 -6.049 3.052 1.00 0.00 H new ATOM 0 HA THR A 24 15.621 -5.385 2.438 1.00 0.00 H new ATOM 0 HB THR A 24 14.985 -5.496 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.322 -7.268 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.051 -7.490 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.968 -6.841 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.932 -8.301 4.217 1.00 0.00 H new ATOM 363 N HIS A 25 16.687 -7.704 1.901 1.00 0.00 N ATOM 364 CA HIS A 25 17.239 -8.836 1.157 1.00 0.00 C ATOM 365 C HIS A 25 16.542 -10.145 1.514 1.00 0.00 C ATOM 366 O HIS A 25 16.443 -11.048 0.684 1.00 0.00 O ATOM 367 CB HIS A 25 18.741 -8.958 1.424 1.00 0.00 C ATOM 368 CG HIS A 25 19.588 -8.278 0.393 1.00 0.00 C ATOM 369 ND1 HIS A 25 20.656 -7.465 0.713 1.00 0.00 N ATOM 370 CD2 HIS A 25 19.522 -8.294 -0.959 1.00 0.00 C ATOM 371 CE1 HIS A 25 21.208 -7.010 -0.398 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.539 -7.499 -1.425 1.00 0.00 N ATOM 0 H HIS A 25 17.381 -7.156 2.409 1.00 0.00 H new ATOM 0 HA HIS A 25 17.069 -8.646 0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 25 18.964 -8.534 2.403 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.010 -10.013 1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.803 -8.832 -1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 25 22.061 -6.350 -0.456 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.745 -7.316 -2.407 1.00 0.00 H new ATOM 381 N VAL A 26 16.055 -10.247 2.744 1.00 0.00 N ATOM 382 CA VAL A 26 15.367 -11.451 3.182 1.00 0.00 C ATOM 383 C VAL A 26 13.993 -11.567 2.523 1.00 0.00 C ATOM 384 O VAL A 26 13.514 -12.670 2.257 1.00 0.00 O ATOM 385 CB VAL A 26 15.209 -11.495 4.718 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.372 -10.326 5.215 1.00 0.00 C ATOM 387 CG2 VAL A 26 14.604 -12.821 5.158 1.00 0.00 C ATOM 0 H VAL A 26 16.124 -9.515 3.451 1.00 0.00 H new ATOM 0 HA VAL A 26 15.984 -12.296 2.876 1.00 0.00 H new ATOM 0 HB VAL A 26 16.201 -11.408 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.277 -10.382 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.857 -9.389 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.382 -10.369 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.501 -12.832 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.623 -12.943 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.254 -13.639 4.847 1.00 0.00 H new ATOM 397 N ASP A 27 13.369 -10.423 2.247 1.00 0.00 N ATOM 398 CA ASP A 27 12.065 -10.407 1.608 1.00 0.00 C ATOM 399 C ASP A 27 12.188 -10.902 0.180 1.00 0.00 C ATOM 400 O ASP A 27 11.377 -11.700 -0.288 1.00 0.00 O ATOM 401 CB ASP A 27 11.476 -8.993 1.628 1.00 0.00 C ATOM 402 CG ASP A 27 10.000 -8.988 1.974 1.00 0.00 C ATOM 403 OD1 ASP A 27 9.671 -9.119 3.172 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.173 -8.851 1.049 1.00 0.00 O ATOM 0 H ASP A 27 13.749 -9.500 2.457 1.00 0.00 H new ATOM 0 HA ASP A 27 11.395 -11.067 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.019 -8.386 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.620 -8.528 0.652 1.00 0.00 H new ATOM 409 N TRP A 28 13.219 -10.421 -0.507 1.00 0.00 N ATOM 410 CA TRP A 28 13.457 -10.817 -1.882 1.00 0.00 C ATOM 411 C TRP A 28 14.006 -12.238 -1.956 1.00 0.00 C ATOM 412 O TRP A 28 13.695 -12.988 -2.881 1.00 0.00 O ATOM 413 CB TRP A 28 14.406 -9.839 -2.575 1.00 0.00 C ATOM 414 CG TRP A 28 13.892 -8.432 -2.579 1.00 0.00 C ATOM 415 CD1 TRP A 28 13.870 -7.577 -1.521 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.318 -7.721 -3.680 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.333 -6.374 -1.895 1.00 0.00 N ATOM 418 CE2 TRP A 28 12.980 -6.438 -3.211 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.057 -8.040 -5.016 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.396 -5.475 -4.023 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.476 -7.082 -5.826 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.151 -5.814 -5.328 1.00 0.00 C ATOM 0 H TRP A 28 13.898 -9.759 -0.132 1.00 0.00 H new ATOM 0 HA TRP A 28 12.501 -10.795 -2.404 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.375 -9.865 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.568 -10.164 -3.603 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.225 -7.813 -0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.216 -5.562 -1.288 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.304 -9.016 -5.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.145 -4.497 -3.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.269 -7.315 -6.860 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.698 -5.088 -5.986 1.00 0.00 H new ATOM 433 N GLN A 29 14.823 -12.603 -0.973 1.00 0.00 N ATOM 434 CA GLN A 29 15.414 -13.935 -0.924 1.00 0.00 C ATOM 435 C GLN A 29 14.330 -15.007 -0.918 1.00 0.00 C ATOM 436 O GLN A 29 14.455 -16.038 -1.581 1.00 0.00 O ATOM 437 CB GLN A 29 16.302 -14.078 0.315 1.00 0.00 C ATOM 438 CG GLN A 29 17.788 -14.089 0.000 1.00 0.00 C ATOM 439 CD GLN A 29 18.341 -15.492 -0.159 1.00 0.00 C ATOM 440 OE1 GLN A 29 18.942 -15.823 -1.181 1.00 0.00 O ATOM 441 NE2 GLN A 29 18.137 -16.326 0.855 1.00 0.00 N ATOM 0 H GLN A 29 15.091 -11.994 -0.199 1.00 0.00 H new ATOM 0 HA GLN A 29 16.027 -14.069 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.090 -13.257 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.042 -15.001 0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.965 -13.527 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.328 -13.578 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.633 -16.008 1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.484 -17.284 0.805 1.00 0.00 H new ATOM 450 N ASN A 30 13.263 -14.756 -0.165 1.00 0.00 N ATOM 451 CA ASN A 30 12.153 -15.697 -0.075 1.00 0.00 C ATOM 452 C ASN A 30 10.872 -15.077 -0.624 1.00 0.00 C ATOM 453 O ASN A 30 9.778 -15.345 -0.126 1.00 0.00 O ATOM 454 CB ASN A 30 11.944 -16.132 1.378 1.00 0.00 C ATOM 455 CG ASN A 30 11.607 -17.605 1.497 1.00 0.00 C ATOM 456 OD1 ASN A 30 12.262 -18.345 2.232 1.00 0.00 O ATOM 457 ND2 ASN A 30 10.582 -18.040 0.773 1.00 0.00 N ATOM 0 H ASN A 30 13.144 -13.909 0.391 1.00 0.00 H new ATOM 0 HA ASN A 30 12.398 -16.572 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.847 -15.921 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.141 -15.541 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.310 -19.022 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.067 -17.392 0.177 1.00 0.00 H new ATOM 464 N CYS A 31 11.014 -14.245 -1.652 1.00 0.00 N ATOM 465 CA CYS A 31 9.866 -13.588 -2.264 1.00 0.00 C ATOM 466 C CYS A 31 9.104 -14.548 -3.167 1.00 0.00 C ATOM 467 O CYS A 31 9.676 -15.151 -4.076 1.00 0.00 O ATOM 468 CB CYS A 31 10.309 -12.365 -3.068 1.00 0.00 C ATOM 469 SG CYS A 31 11.317 -12.754 -4.518 1.00 0.00 S ATOM 0 H CYS A 31 11.911 -14.011 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 31 9.203 -13.265 -1.461 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.424 -11.817 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.874 -11.700 -2.415 1.00 0.00 H new ATOM 0 HG CYS A 31 12.509 -13.104 -4.136 1.00 0.00 H new ATOM 475 N VAL A 32 7.808 -14.677 -2.915 1.00 0.00 N ATOM 476 CA VAL A 32 6.961 -15.554 -3.708 1.00 0.00 C ATOM 477 C VAL A 32 6.417 -14.819 -4.929 1.00 0.00 C ATOM 478 O VAL A 32 6.307 -15.392 -6.013 1.00 0.00 O ATOM 479 CB VAL A 32 5.786 -16.101 -2.872 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.286 -17.084 -1.825 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.026 -14.965 -2.209 1.00 0.00 C ATOM 0 H VAL A 32 7.321 -14.184 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 32 7.576 -16.392 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 32 5.106 -16.626 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.442 -17.459 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.786 -17.917 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.988 -16.581 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.201 -15.372 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.698 -14.412 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.633 -14.295 -2.974 1.00 0.00 H new ATOM 491 N TRP A 33 6.079 -13.543 -4.747 1.00 0.00 N ATOM 492 CA TRP A 33 5.550 -12.726 -5.840 1.00 0.00 C ATOM 493 C TRP A 33 6.134 -11.313 -5.793 1.00 0.00 C ATOM 494 O TRP A 33 6.524 -10.831 -4.730 1.00 0.00 O ATOM 495 CB TRP A 33 4.017 -12.686 -5.775 1.00 0.00 C ATOM 496 CG TRP A 33 3.405 -11.485 -6.436 1.00 0.00 C ATOM 497 CD1 TRP A 33 2.896 -11.409 -7.701 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.244 -10.188 -5.859 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.427 -10.138 -7.943 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.630 -9.371 -6.825 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.560 -9.641 -4.616 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.328 -8.033 -6.581 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.259 -8.315 -4.376 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.649 -7.526 -5.356 1.00 0.00 C ATOM 0 H TRP A 33 6.161 -13.053 -3.856 1.00 0.00 H new ATOM 0 HA TRP A 33 5.845 -13.178 -6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.621 -13.587 -6.244 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.708 -12.709 -4.730 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.866 -12.226 -8.407 1.00 0.00 H new ATOM 0 HE1 TRP A 33 1.999 -9.819 -8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.032 -10.244 -3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 1.857 -7.419 -7.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.498 -7.881 -3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.427 -6.492 -5.138 1.00 0.00 H new ATOM 515 N GLU A 34 6.197 -10.655 -6.948 1.00 0.00 N ATOM 516 CA GLU A 34 6.736 -9.300 -7.020 1.00 0.00 C ATOM 517 C GLU A 34 6.328 -8.601 -8.316 1.00 0.00 C ATOM 518 O GLU A 34 6.648 -9.066 -9.411 1.00 0.00 O ATOM 519 CB GLU A 34 8.263 -9.332 -6.903 1.00 0.00 C ATOM 520 CG GLU A 34 8.908 -7.957 -6.969 1.00 0.00 C ATOM 521 CD GLU A 34 9.612 -7.706 -8.289 1.00 0.00 C ATOM 522 OE1 GLU A 34 10.098 -8.683 -8.898 1.00 0.00 O ATOM 523 OE2 GLU A 34 9.678 -6.533 -8.713 1.00 0.00 O ATOM 0 H GLU A 34 5.884 -11.035 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 34 6.320 -8.733 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.537 -9.808 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.667 -9.952 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.145 -7.194 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.625 -7.856 -6.154 1.00 0.00 H new ATOM 530 N ASP A 35 5.630 -7.475 -8.181 1.00 0.00 N ATOM 531 CA ASP A 35 5.190 -6.701 -9.338 1.00 0.00 C ATOM 532 C ASP A 35 6.012 -5.423 -9.468 1.00 0.00 C ATOM 533 O ASP A 35 5.751 -4.429 -8.788 1.00 0.00 O ATOM 534 CB ASP A 35 3.702 -6.363 -9.219 1.00 0.00 C ATOM 535 CG ASP A 35 2.833 -7.287 -10.049 1.00 0.00 C ATOM 536 OD1 ASP A 35 2.929 -7.235 -11.293 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.054 -8.062 -9.455 1.00 0.00 O ATOM 0 H ASP A 35 5.357 -7.079 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 35 5.340 -7.304 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.400 -6.426 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.539 -5.333 -9.536 1.00 0.00 H new ATOM 542 N TYR A 36 7.011 -5.462 -10.343 1.00 0.00 N ATOM 543 CA TYR A 36 7.891 -4.321 -10.568 1.00 0.00 C ATOM 544 C TYR A 36 7.113 -3.073 -10.980 1.00 0.00 C ATOM 545 O TYR A 36 7.542 -1.952 -10.707 1.00 0.00 O ATOM 546 CB TYR A 36 8.930 -4.660 -11.636 1.00 0.00 C ATOM 547 CG TYR A 36 10.285 -4.037 -11.380 1.00 0.00 C ATOM 548 CD1 TYR A 36 10.452 -2.658 -11.403 1.00 0.00 C ATOM 549 CD2 TYR A 36 11.395 -4.828 -11.115 1.00 0.00 C ATOM 550 CE1 TYR A 36 11.688 -2.085 -11.169 1.00 0.00 C ATOM 551 CE2 TYR A 36 12.635 -4.262 -10.881 1.00 0.00 C ATOM 552 CZ TYR A 36 12.775 -2.891 -10.908 1.00 0.00 C ATOM 553 OH TYR A 36 14.007 -2.325 -10.675 1.00 0.00 O ATOM 0 H TYR A 36 7.233 -6.279 -10.912 1.00 0.00 H new ATOM 0 HA TYR A 36 8.392 -4.104 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.042 -5.743 -11.692 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.563 -4.327 -12.607 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.602 -2.023 -11.607 1.00 0.00 H new ATOM 0 HD2 TYR A 36 11.288 -5.902 -11.091 1.00 0.00 H new ATOM 0 HE1 TYR A 36 11.801 -1.011 -11.191 1.00 0.00 H new ATOM 0 HE2 TYR A 36 13.489 -4.891 -10.678 1.00 0.00 H new ATOM 0 HH TYR A 36 14.665 -3.031 -10.507 1.00 0.00 H new ATOM 563 N ASN A 37 5.979 -3.266 -11.644 1.00 0.00 N ATOM 564 CA ASN A 37 5.169 -2.150 -12.094 1.00 0.00 C ATOM 565 C ASN A 37 4.627 -1.363 -10.910 1.00 0.00 C ATOM 566 O ASN A 37 4.603 -0.137 -10.934 1.00 0.00 O ATOM 567 CB ASN A 37 4.016 -2.649 -12.966 1.00 0.00 C ATOM 568 CG ASN A 37 3.658 -1.670 -14.067 1.00 0.00 C ATOM 569 OD1 ASN A 37 3.780 -0.457 -13.898 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.215 -2.193 -15.204 1.00 0.00 N ATOM 0 H ASN A 37 5.604 -4.185 -11.880 1.00 0.00 H new ATOM 0 HA ASN A 37 5.800 -1.488 -12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.288 -3.607 -13.410 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.141 -2.824 -12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.960 -1.583 -15.981 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.129 -3.205 -15.301 1.00 0.00 H new ATOM 577 N ARG A 38 4.196 -2.074 -9.873 1.00 0.00 N ATOM 578 CA ARG A 38 3.656 -1.425 -8.683 1.00 0.00 C ATOM 579 C ARG A 38 4.695 -1.347 -7.567 1.00 0.00 C ATOM 580 O ARG A 38 4.441 -0.761 -6.514 1.00 0.00 O ATOM 581 CB ARG A 38 2.412 -2.171 -8.192 1.00 0.00 C ATOM 582 CG ARG A 38 2.710 -3.545 -7.616 1.00 0.00 C ATOM 583 CD ARG A 38 1.520 -4.480 -7.760 1.00 0.00 C ATOM 584 NE ARG A 38 1.142 -4.675 -9.158 1.00 0.00 N ATOM 585 CZ ARG A 38 0.253 -5.578 -9.566 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.350 -6.371 -8.689 1.00 0.00 N ATOM 587 NH2 ARG A 38 -0.035 -5.689 -10.856 1.00 0.00 N ATOM 0 H ARG A 38 4.210 -3.093 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 38 3.380 -0.406 -8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.915 -1.569 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.713 -2.279 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.574 -3.974 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.974 -3.450 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.760 -5.444 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.672 -4.075 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 38 1.585 -4.085 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.133 -6.291 -7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.030 -7.061 -9.008 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.425 -5.083 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.716 -6.381 -11.169 1.00 0.00 H new ATOM 601 N ASP A 39 5.866 -1.937 -7.796 1.00 0.00 N ATOM 602 CA ASP A 39 6.930 -1.924 -6.801 1.00 0.00 C ATOM 603 C ASP A 39 6.471 -2.597 -5.512 1.00 0.00 C ATOM 604 O ASP A 39 6.641 -2.057 -4.418 1.00 0.00 O ATOM 605 CB ASP A 39 7.368 -0.486 -6.518 1.00 0.00 C ATOM 606 CG ASP A 39 8.303 0.053 -7.583 1.00 0.00 C ATOM 607 OD1 ASP A 39 7.977 -0.081 -8.780 1.00 0.00 O ATOM 608 OD2 ASP A 39 9.360 0.609 -7.218 1.00 0.00 O ATOM 0 H ASP A 39 6.099 -2.428 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 39 7.779 -2.482 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.487 0.153 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.864 -0.444 -5.548 1.00 0.00 H new ATOM 613 N LEU A 40 5.881 -3.779 -5.653 1.00 0.00 N ATOM 614 CA LEU A 40 5.386 -4.532 -4.506 1.00 0.00 C ATOM 615 C LEU A 40 5.754 -6.008 -4.631 1.00 0.00 C ATOM 616 O LEU A 40 5.802 -6.551 -5.735 1.00 0.00 O ATOM 617 CB LEU A 40 3.868 -4.372 -4.395 1.00 0.00 C ATOM 618 CG LEU A 40 3.236 -4.967 -3.136 1.00 0.00 C ATOM 619 CD1 LEU A 40 3.543 -4.100 -1.924 1.00 0.00 C ATOM 620 CD2 LEU A 40 1.731 -5.122 -3.320 1.00 0.00 C ATOM 0 H LEU A 40 5.734 -4.237 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 40 5.853 -4.139 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.628 -3.310 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.406 -4.836 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 40 3.665 -5.955 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.085 -4.539 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.622 -4.040 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.142 -3.099 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.296 -5.547 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.286 -4.146 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.534 -5.784 -4.163 1.00 0.00 H new ATOM 632 N LEU A 41 6.010 -6.653 -3.497 1.00 0.00 N ATOM 633 CA LEU A 41 6.369 -8.071 -3.493 1.00 0.00 C ATOM 634 C LEU A 41 5.860 -8.782 -2.247 1.00 0.00 C ATOM 635 O LEU A 41 5.633 -8.160 -1.212 1.00 0.00 O ATOM 636 CB LEU A 41 7.893 -8.271 -3.642 1.00 0.00 C ATOM 637 CG LEU A 41 8.819 -7.708 -2.536 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.678 -6.585 -3.091 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.055 -7.222 -1.312 1.00 0.00 C ATOM 0 H LEU A 41 5.976 -6.222 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 41 5.880 -8.519 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.082 -9.342 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.196 -7.824 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 41 9.453 -8.532 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.324 -6.198 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.290 -6.965 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.037 -5.785 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.758 -6.839 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.367 -6.428 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.492 -8.050 -0.882 1.00 0.00 H new ATOM 651 N VAL A 42 5.681 -10.094 -2.355 1.00 0.00 N ATOM 652 CA VAL A 42 5.208 -10.890 -1.234 1.00 0.00 C ATOM 653 C VAL A 42 6.260 -11.911 -0.832 1.00 0.00 C ATOM 654 O VAL A 42 6.711 -12.712 -1.653 1.00 0.00 O ATOM 655 CB VAL A 42 3.875 -11.623 -1.549 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.577 -12.718 -0.525 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.719 -10.635 -1.607 1.00 0.00 C ATOM 0 H VAL A 42 5.857 -10.626 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 42 5.023 -10.199 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 42 3.988 -12.096 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.637 -13.208 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.382 -13.452 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.499 -12.276 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.795 -11.169 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.624 -10.129 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.909 -9.898 -2.388 1.00 0.00 H new ATOM 667 N SER A 43 6.631 -11.877 0.440 1.00 0.00 N ATOM 668 CA SER A 43 7.613 -12.798 0.985 1.00 0.00 C ATOM 669 C SER A 43 6.970 -13.642 2.075 1.00 0.00 C ATOM 670 O SER A 43 5.951 -13.254 2.647 1.00 0.00 O ATOM 671 CB SER A 43 8.817 -12.036 1.541 1.00 0.00 C ATOM 672 OG SER A 43 8.600 -11.640 2.884 1.00 0.00 O ATOM 0 H SER A 43 6.260 -11.212 1.119 1.00 0.00 H new ATOM 0 HA SER A 43 7.966 -13.452 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.706 -12.664 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.009 -11.156 0.927 1.00 0.00 H new ATOM 0 HG SER A 43 8.542 -10.663 2.932 1.00 0.00 H new ATOM 678 N THR A 44 7.547 -14.803 2.349 1.00 0.00 N ATOM 679 CA THR A 44 6.993 -15.691 3.361 1.00 0.00 C ATOM 680 C THR A 44 7.700 -15.528 4.698 1.00 0.00 C ATOM 681 O THR A 44 8.910 -15.311 4.758 1.00 0.00 O ATOM 682 CB THR A 44 7.067 -17.137 2.887 1.00 0.00 C ATOM 683 OG1 THR A 44 8.390 -17.636 2.982 1.00 0.00 O ATOM 684 CG2 THR A 44 6.612 -17.293 1.460 1.00 0.00 C ATOM 0 H THR A 44 8.390 -15.150 1.890 1.00 0.00 H new ATOM 0 HA THR A 44 5.948 -15.420 3.510 1.00 0.00 H new ATOM 0 HB THR A 44 6.400 -17.702 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.412 -18.566 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.683 -18.341 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.578 -16.960 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.245 -16.691 0.808 1.00 0.00 H new ATOM 692 N THR A 45 6.919 -15.620 5.768 1.00 0.00 N ATOM 693 CA THR A 45 7.438 -15.470 7.119 1.00 0.00 C ATOM 694 C THR A 45 6.835 -16.514 8.052 1.00 0.00 C ATOM 695 O THR A 45 5.922 -17.247 7.673 1.00 0.00 O ATOM 696 CB THR A 45 7.136 -14.061 7.640 1.00 0.00 C ATOM 697 OG1 THR A 45 7.255 -14.009 9.050 1.00 0.00 O ATOM 698 CG2 THR A 45 5.746 -13.567 7.278 1.00 0.00 C ATOM 0 H THR A 45 5.916 -15.799 5.723 1.00 0.00 H new ATOM 0 HA THR A 45 8.517 -15.620 7.092 1.00 0.00 H new ATOM 0 HB THR A 45 7.870 -13.416 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.218 -13.076 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.601 -12.564 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.639 -13.544 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.999 -14.239 7.702 1.00 0.00 H new ATOM 706 N THR A 46 7.350 -16.574 9.277 1.00 0.00 N ATOM 707 CA THR A 46 6.861 -17.526 10.268 1.00 0.00 C ATOM 708 C THR A 46 6.385 -16.803 11.523 1.00 0.00 C ATOM 709 O THR A 46 6.556 -17.295 12.639 1.00 0.00 O ATOM 710 CB THR A 46 7.959 -18.529 10.626 1.00 0.00 C ATOM 711 OG1 THR A 46 9.239 -17.932 10.518 1.00 0.00 O ATOM 712 CG2 THR A 46 7.952 -19.762 9.749 1.00 0.00 C ATOM 0 H THR A 46 8.106 -15.974 9.607 1.00 0.00 H new ATOM 0 HA THR A 46 6.016 -18.063 9.837 1.00 0.00 H new ATOM 0 HB THR A 46 7.750 -18.831 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.927 -18.589 10.753 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.755 -20.432 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.995 -20.274 9.849 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.101 -19.470 8.709 1.00 0.00 H new ATOM 720 N ALA A 47 5.789 -15.631 11.333 1.00 0.00 N ATOM 721 CA ALA A 47 5.288 -14.837 12.449 1.00 0.00 C ATOM 722 C ALA A 47 3.764 -14.865 12.505 1.00 0.00 C ATOM 723 O ALA A 47 3.123 -15.666 11.825 1.00 0.00 O ATOM 724 CB ALA A 47 5.790 -13.404 12.341 1.00 0.00 C ATOM 0 H ALA A 47 5.641 -15.209 10.416 1.00 0.00 H new ATOM 0 HA ALA A 47 5.665 -15.275 13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.409 -12.821 13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.880 -13.398 12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.441 -12.966 11.406 1.00 0.00 H new ATOM 730 N HIS A 48 3.191 -13.985 13.319 1.00 0.00 N ATOM 731 CA HIS A 48 1.742 -13.908 13.465 1.00 0.00 C ATOM 732 C HIS A 48 1.177 -12.720 12.691 1.00 0.00 C ATOM 733 O HIS A 48 1.833 -11.688 12.552 1.00 0.00 O ATOM 734 CB HIS A 48 1.362 -13.800 14.944 1.00 0.00 C ATOM 735 CG HIS A 48 0.524 -14.941 15.432 1.00 0.00 C ATOM 736 ND1 HIS A 48 -0.839 -15.013 15.234 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.862 -16.061 16.115 1.00 0.00 C ATOM 738 CE1 HIS A 48 -1.303 -16.127 15.773 1.00 0.00 C ATOM 739 NE2 HIS A 48 -0.290 -16.780 16.313 1.00 0.00 N ATOM 0 H HIS A 48 3.708 -13.315 13.888 1.00 0.00 H new ATOM 0 HA HIS A 48 1.312 -14.821 13.053 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.272 -13.747 15.541 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.821 -12.868 15.104 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.853 -16.337 16.443 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.334 -16.448 15.772 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.354 -17.675 16.799 1.00 0.00 H new ATOM 748 N GLY A 49 -0.045 -12.875 12.189 1.00 0.00 N ATOM 749 CA GLY A 49 -0.680 -11.809 11.435 1.00 0.00 C ATOM 750 C GLY A 49 -0.781 -10.518 12.225 1.00 0.00 C ATOM 751 O GLY A 49 -0.261 -10.420 13.336 1.00 0.00 O ATOM 0 H GLY A 49 -0.607 -13.720 12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.114 -11.628 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.679 -12.126 11.134 1.00 0.00 H new ATOM 755 N CYS A 50 -1.453 -9.525 11.650 1.00 0.00 N ATOM 756 CA CYS A 50 -1.621 -8.236 12.307 1.00 0.00 C ATOM 757 C CYS A 50 -2.872 -7.524 11.803 1.00 0.00 C ATOM 758 O CYS A 50 -3.660 -6.998 12.589 1.00 0.00 O ATOM 759 CB CYS A 50 -0.391 -7.357 12.072 1.00 0.00 C ATOM 760 SG CYS A 50 0.058 -6.324 13.486 1.00 0.00 S ATOM 0 H CYS A 50 -1.890 -9.590 10.730 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.734 -8.415 13.376 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.455 -7.995 11.818 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.575 -6.715 11.211 1.00 0.00 H new ATOM 0 HG CYS A 50 1.110 -5.619 13.192 1.00 0.00 H new ATOM 766 N ASP A 51 -3.049 -7.513 10.485 1.00 0.00 N ATOM 767 CA ASP A 51 -4.205 -6.865 9.876 1.00 0.00 C ATOM 768 C ASP A 51 -4.914 -7.809 8.910 1.00 0.00 C ATOM 769 O ASP A 51 -4.408 -8.885 8.592 1.00 0.00 O ATOM 770 CB ASP A 51 -3.776 -5.595 9.138 1.00 0.00 C ATOM 771 CG ASP A 51 -3.204 -4.547 10.074 1.00 0.00 C ATOM 772 OD1 ASP A 51 -3.876 -4.213 11.072 1.00 0.00 O ATOM 773 OD2 ASP A 51 -2.084 -4.062 9.809 1.00 0.00 O ATOM 0 H ASP A 51 -2.408 -7.945 9.820 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.899 -6.599 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.031 -5.850 8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.634 -5.178 8.610 1.00 0.00 H new ATOM 778 N THR A 52 -6.087 -7.394 8.443 1.00 0.00 N ATOM 779 CA THR A 52 -6.869 -8.197 7.510 1.00 0.00 C ATOM 780 C THR A 52 -7.196 -7.393 6.256 1.00 0.00 C ATOM 781 O THR A 52 -7.785 -6.315 6.337 1.00 0.00 O ATOM 782 CB THR A 52 -8.158 -8.680 8.174 1.00 0.00 C ATOM 783 OG1 THR A 52 -7.875 -9.329 9.402 1.00 0.00 O ATOM 784 CG2 THR A 52 -8.948 -9.644 7.317 1.00 0.00 C ATOM 0 H THR A 52 -6.518 -6.505 8.696 1.00 0.00 H new ATOM 0 HA THR A 52 -6.275 -9.065 7.223 1.00 0.00 H new ATOM 0 HB THR A 52 -8.758 -7.783 8.329 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.712 -9.630 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.850 -9.947 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.224 -9.157 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.340 -10.523 7.103 1.00 0.00 H new ATOM 792 N ILE A 53 -6.807 -7.918 5.100 1.00 0.00 N ATOM 793 CA ILE A 53 -7.057 -7.237 3.834 1.00 0.00 C ATOM 794 C ILE A 53 -8.530 -7.304 3.455 1.00 0.00 C ATOM 795 O ILE A 53 -9.181 -8.334 3.630 1.00 0.00 O ATOM 796 CB ILE A 53 -6.235 -7.828 2.675 1.00 0.00 C ATOM 797 CG1 ILE A 53 -4.862 -8.327 3.165 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.096 -6.795 1.564 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.678 -7.804 2.375 1.00 0.00 C ATOM 0 H ILE A 53 -6.319 -8.809 5.012 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.754 -6.202 3.990 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.761 -8.694 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.739 -8.042 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.853 -9.416 3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.513 -7.217 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.085 -6.517 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.590 -5.910 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.755 -8.208 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.771 -8.112 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.655 -6.716 2.431 1.00 0.00 H new ATOM 811 N ALA A 54 -9.049 -6.199 2.934 1.00 0.00 N ATOM 812 CA ALA A 54 -10.444 -6.130 2.527 1.00 0.00 C ATOM 813 C ALA A 54 -10.626 -6.593 1.088 1.00 0.00 C ATOM 814 O ALA A 54 -10.028 -6.037 0.167 1.00 0.00 O ATOM 815 CB ALA A 54 -10.972 -4.712 2.685 1.00 0.00 C ATOM 0 H ALA A 54 -8.523 -5.338 2.784 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.011 -6.799 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.017 -4.676 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.891 -4.408 3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.387 -4.034 2.063 1.00 0.00 H new ATOM 821 N ARG A 55 -11.472 -7.598 0.899 1.00 0.00 N ATOM 822 CA ARG A 55 -11.752 -8.117 -0.434 1.00 0.00 C ATOM 823 C ARG A 55 -12.994 -7.439 -1.007 1.00 0.00 C ATOM 824 O ARG A 55 -13.724 -8.020 -1.807 1.00 0.00 O ATOM 825 CB ARG A 55 -11.949 -9.635 -0.387 1.00 0.00 C ATOM 826 CG ARG A 55 -12.036 -10.291 -1.759 1.00 0.00 C ATOM 827 CD ARG A 55 -10.917 -9.827 -2.680 1.00 0.00 C ATOM 828 NE ARG A 55 -10.968 -10.491 -3.980 1.00 0.00 N ATOM 829 CZ ARG A 55 -10.369 -10.026 -5.075 1.00 0.00 C ATOM 830 NH1 ARG A 55 -9.671 -8.899 -5.030 1.00 0.00 N ATOM 831 NH2 ARG A 55 -10.466 -10.693 -6.217 1.00 0.00 N ATOM 0 H ARG A 55 -11.975 -8.069 1.651 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.901 -7.900 -1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.123 -10.081 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.860 -9.856 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.989 -11.374 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.000 -10.059 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.987 -8.748 -2.821 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.954 -10.025 -2.209 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.493 -11.362 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.591 -8.383 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.214 -8.548 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.999 -11.562 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.008 -10.337 -7.056 1.00 0.00 H new ATOM 845 N CYS A 56 -13.223 -6.201 -0.576 1.00 0.00 N ATOM 846 CA CYS A 56 -14.373 -5.425 -1.023 1.00 0.00 C ATOM 847 C CYS A 56 -13.975 -4.438 -2.115 1.00 0.00 C ATOM 848 O CYS A 56 -12.789 -4.200 -2.349 1.00 0.00 O ATOM 849 CB CYS A 56 -14.983 -4.673 0.159 1.00 0.00 C ATOM 850 SG CYS A 56 -13.810 -3.592 1.041 1.00 0.00 S ATOM 0 H CYS A 56 -12.621 -5.712 0.087 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.111 -6.113 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.817 -4.070 -0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.393 -5.397 0.863 1.00 0.00 H new ATOM 855 N GLN A 57 -14.973 -3.866 -2.779 1.00 0.00 N ATOM 856 CA GLN A 57 -14.727 -2.906 -3.849 1.00 0.00 C ATOM 857 C GLN A 57 -15.305 -1.534 -3.506 1.00 0.00 C ATOM 858 O GLN A 57 -15.676 -0.770 -4.397 1.00 0.00 O ATOM 859 CB GLN A 57 -15.327 -3.409 -5.163 1.00 0.00 C ATOM 860 CG GLN A 57 -14.363 -4.244 -5.991 1.00 0.00 C ATOM 861 CD GLN A 57 -14.230 -3.741 -7.415 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.683 -4.388 -8.359 1.00 0.00 O ATOM 863 NE2 GLN A 57 -13.604 -2.581 -7.578 1.00 0.00 N ATOM 0 H GLN A 57 -15.959 -4.050 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.648 -2.804 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.214 -4.003 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.654 -2.554 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.383 -4.239 -5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.705 -5.279 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.244 -2.078 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.483 -2.194 -8.514 1.00 0.00 H new ATOM 872 N CYS A 58 -15.377 -1.222 -2.214 1.00 0.00 N ATOM 873 CA CYS A 58 -15.907 0.065 -1.774 1.00 0.00 C ATOM 874 C CYS A 58 -15.095 1.210 -2.370 1.00 0.00 C ATOM 875 O CYS A 58 -13.866 1.209 -2.312 1.00 0.00 O ATOM 876 CB CYS A 58 -15.891 0.167 -0.245 1.00 0.00 C ATOM 877 SG CYS A 58 -16.653 -1.246 0.617 1.00 0.00 S ATOM 0 H CYS A 58 -15.077 -1.838 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.938 0.138 -2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.858 0.265 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -16.410 1.079 0.051 1.00 0.00 H new ATOM 882 N THR A 59 -15.789 2.188 -2.944 1.00 0.00 N ATOM 883 CA THR A 59 -15.127 3.337 -3.551 1.00 0.00 C ATOM 884 C THR A 59 -14.743 4.377 -2.499 1.00 0.00 C ATOM 885 O THR A 59 -14.156 5.410 -2.824 1.00 0.00 O ATOM 886 CB THR A 59 -16.034 3.975 -4.604 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.938 3.021 -5.132 1.00 0.00 O ATOM 888 CG2 THR A 59 -15.271 4.576 -5.764 1.00 0.00 C ATOM 0 H THR A 59 -16.807 2.208 -3.001 1.00 0.00 H new ATOM 0 HA THR A 59 -14.214 2.981 -4.028 1.00 0.00 H new ATOM 0 HB THR A 59 -16.563 4.774 -4.085 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.511 3.449 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.973 5.012 -6.475 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.600 5.352 -5.395 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.690 3.798 -6.259 1.00 0.00 H new ATOM 896 N THR A 60 -15.075 4.105 -1.237 1.00 0.00 N ATOM 897 CA THR A 60 -14.761 5.028 -0.153 1.00 0.00 C ATOM 898 C THR A 60 -14.024 4.320 0.981 1.00 0.00 C ATOM 899 O THR A 60 -14.511 3.335 1.536 1.00 0.00 O ATOM 900 CB THR A 60 -16.042 5.670 0.383 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.767 4.751 1.181 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.967 6.160 -0.709 1.00 0.00 C ATOM 0 H THR A 60 -15.559 3.256 -0.944 1.00 0.00 H new ATOM 0 HA THR A 60 -14.108 5.804 -0.554 1.00 0.00 H new ATOM 0 HB THR A 60 -15.713 6.528 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.229 3.944 1.320 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.856 6.604 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.453 6.908 -1.313 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.260 5.322 -1.341 1.00 0.00 H new ATOM 910 N GLY A 61 -12.848 4.837 1.321 1.00 0.00 N ATOM 911 CA GLY A 61 -12.054 4.259 2.390 1.00 0.00 C ATOM 912 C GLY A 61 -11.355 5.325 3.210 1.00 0.00 C ATOM 913 O GLY A 61 -11.648 6.510 3.062 1.00 0.00 O ATOM 0 H GLY A 61 -12.428 5.651 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.696 3.664 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.313 3.581 1.967 1.00 0.00 H new ATOM 917 N VAL A 62 -10.429 4.917 4.072 1.00 0.00 N ATOM 918 CA VAL A 62 -9.700 5.871 4.901 1.00 0.00 C ATOM 919 C VAL A 62 -8.229 5.489 5.023 1.00 0.00 C ATOM 920 O VAL A 62 -7.895 4.335 5.293 1.00 0.00 O ATOM 921 CB VAL A 62 -10.316 5.988 6.311 1.00 0.00 C ATOM 922 CG1 VAL A 62 -10.387 4.624 6.982 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.531 6.976 7.165 1.00 0.00 C ATOM 0 H VAL A 62 -10.167 3.942 4.214 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.777 6.838 4.404 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.333 6.367 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.824 4.729 7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.005 3.955 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.383 4.209 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.984 7.042 8.154 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.500 6.636 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.547 7.958 6.693 1.00 0.00 H new ATOM 933 N TYR A 63 -7.354 6.471 4.827 1.00 0.00 N ATOM 934 CA TYR A 63 -5.918 6.246 4.920 1.00 0.00 C ATOM 935 C TYR A 63 -5.306 7.127 6.006 1.00 0.00 C ATOM 936 O TYR A 63 -5.581 8.325 6.077 1.00 0.00 O ATOM 937 CB TYR A 63 -5.248 6.512 3.568 1.00 0.00 C ATOM 938 CG TYR A 63 -5.202 7.973 3.175 1.00 0.00 C ATOM 939 CD1 TYR A 63 -6.246 8.561 2.468 1.00 0.00 C ATOM 940 CD2 TYR A 63 -4.108 8.761 3.505 1.00 0.00 C ATOM 941 CE1 TYR A 63 -6.199 9.893 2.105 1.00 0.00 C ATOM 942 CE2 TYR A 63 -4.054 10.094 3.145 1.00 0.00 C ATOM 943 CZ TYR A 63 -5.101 10.655 2.446 1.00 0.00 C ATOM 944 OH TYR A 63 -5.051 11.982 2.086 1.00 0.00 O ATOM 0 H TYR A 63 -7.616 7.431 4.603 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.748 5.204 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.230 6.123 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.780 5.956 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.107 7.967 2.199 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.285 8.325 4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.018 10.335 1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.196 10.693 3.410 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.733 12.162 1.406 1.00 0.00 H new ATOM 954 N PHE A 64 -4.488 6.519 6.859 1.00 0.00 N ATOM 955 CA PHE A 64 -3.847 7.241 7.954 1.00 0.00 C ATOM 956 C PHE A 64 -2.722 8.139 7.451 1.00 0.00 C ATOM 957 O PHE A 64 -2.156 7.907 6.383 1.00 0.00 O ATOM 958 CB PHE A 64 -3.299 6.252 8.985 1.00 0.00 C ATOM 959 CG PHE A 64 -3.452 6.719 10.405 1.00 0.00 C ATOM 960 CD1 PHE A 64 -2.582 7.658 10.936 1.00 0.00 C ATOM 961 CD2 PHE A 64 -4.465 6.220 11.208 1.00 0.00 C ATOM 962 CE1 PHE A 64 -2.720 8.090 12.241 1.00 0.00 C ATOM 963 CE2 PHE A 64 -4.608 6.647 12.514 1.00 0.00 C ATOM 964 CZ PHE A 64 -3.734 7.585 13.032 1.00 0.00 C ATOM 0 H PHE A 64 -4.253 5.528 6.814 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.601 7.875 8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.811 5.297 8.868 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.243 6.075 8.781 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.787 8.057 10.323 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.151 5.488 10.808 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.035 8.822 12.643 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.401 6.249 13.129 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.844 7.922 14.052 1.00 0.00 H new ATOM 974 N CYS A 65 -2.403 9.165 8.237 1.00 0.00 N ATOM 975 CA CYS A 65 -1.343 10.106 7.888 1.00 0.00 C ATOM 976 C CYS A 65 -1.709 10.914 6.646 1.00 0.00 C ATOM 977 O CYS A 65 -1.011 10.867 5.633 1.00 0.00 O ATOM 978 CB CYS A 65 -0.022 9.362 7.665 1.00 0.00 C ATOM 979 SG CYS A 65 1.055 9.324 9.117 1.00 0.00 S ATOM 0 H CYS A 65 -2.866 9.366 9.123 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.223 10.800 8.720 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.240 8.338 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.513 9.833 6.840 1.00 0.00 H new ATOM 0 HG CYS A 65 2.144 8.673 8.833 1.00 0.00 H new ATOM 985 N ALA A 66 -2.804 11.662 6.734 1.00 0.00 N ATOM 986 CA ALA A 66 -3.255 12.485 5.620 1.00 0.00 C ATOM 987 C ALA A 66 -2.686 13.894 5.720 1.00 0.00 C ATOM 988 O ALA A 66 -2.203 14.451 4.735 1.00 0.00 O ATOM 989 CB ALA A 66 -4.775 12.528 5.573 1.00 0.00 C ATOM 0 H ALA A 66 -3.394 11.715 7.564 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.890 12.036 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.096 13.147 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.164 11.517 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.156 12.950 6.503 1.00 0.00 H new ATOM 995 N SER A 67 -2.745 14.464 6.920 1.00 0.00 N ATOM 996 CA SER A 67 -2.232 15.811 7.158 1.00 0.00 C ATOM 997 C SER A 67 -2.519 16.259 8.589 1.00 0.00 C ATOM 998 O SER A 67 -2.808 17.429 8.837 1.00 0.00 O ATOM 999 CB SER A 67 -2.853 16.802 6.168 1.00 0.00 C ATOM 1000 OG SER A 67 -2.531 18.139 6.510 1.00 0.00 O ATOM 0 H SER A 67 -3.143 14.014 7.744 1.00 0.00 H new ATOM 0 HA SER A 67 -1.152 15.790 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.496 16.586 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.936 16.678 6.156 1.00 0.00 H new ATOM 0 HG SER A 67 -2.917 18.355 7.384 1.00 0.00 H new ATOM 1006 N LYS A 68 -2.437 15.322 9.531 1.00 0.00 N ATOM 1007 CA LYS A 68 -2.690 15.634 10.932 1.00 0.00 C ATOM 1008 C LYS A 68 -2.447 14.422 11.831 1.00 0.00 C ATOM 1009 O LYS A 68 -3.106 14.263 12.858 1.00 0.00 O ATOM 1010 CB LYS A 68 -4.126 16.134 11.110 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.342 16.926 12.392 1.00 0.00 C ATOM 1012 CD LYS A 68 -4.504 18.411 12.111 1.00 0.00 C ATOM 1013 CE LYS A 68 -3.228 19.180 12.415 1.00 0.00 C ATOM 1014 NZ LYS A 68 -2.414 19.411 11.190 1.00 0.00 N ATOM 0 H LYS A 68 -2.199 14.347 9.350 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.993 16.418 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.392 16.759 10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.803 15.280 11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.228 16.553 12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.497 16.772 13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.777 18.557 11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.321 18.809 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.481 20.138 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.636 18.628 13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.403 19.368 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.633 18.679 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.636 20.348 10.797 1.00 0.00 H new ATOM 1028 N SER A 69 -1.498 13.569 11.444 1.00 0.00 N ATOM 1029 CA SER A 69 -1.177 12.371 12.223 1.00 0.00 C ATOM 1030 C SER A 69 -2.449 11.639 12.646 1.00 0.00 C ATOM 1031 O SER A 69 -2.500 11.013 13.705 1.00 0.00 O ATOM 1032 CB SER A 69 -0.357 12.746 13.458 1.00 0.00 C ATOM 1033 OG SER A 69 0.633 11.768 13.730 1.00 0.00 O ATOM 0 H SER A 69 -0.939 13.684 10.598 1.00 0.00 H new ATOM 0 HA SER A 69 -0.588 11.705 11.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.118 13.715 13.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.017 12.849 14.319 1.00 0.00 H new ATOM 0 HG SER A 69 1.144 12.032 14.523 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.475 11.737 11.809 1.00 0.00 N ATOM 1040 CA LYS A 70 -4.762 11.108 12.077 1.00 0.00 C ATOM 1041 C LYS A 70 -5.287 10.403 10.835 1.00 0.00 C ATOM 1042 O LYS A 70 -4.732 10.544 9.745 1.00 0.00 O ATOM 1043 CB LYS A 70 -5.783 12.142 12.546 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.433 12.792 13.871 1.00 0.00 C ATOM 1045 CD LYS A 70 -5.664 14.290 13.823 1.00 0.00 C ATOM 1046 CE LYS A 70 -7.142 14.631 13.923 1.00 0.00 C ATOM 1047 NZ LYS A 70 -7.365 15.951 14.576 1.00 0.00 N ATOM 0 H LYS A 70 -3.439 12.252 10.929 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.613 10.372 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.877 12.917 11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.758 11.662 12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.037 12.353 14.665 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.390 12.590 14.115 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.123 14.769 14.640 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.259 14.692 12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.580 14.641 12.925 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.656 13.854 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.359 16.029 14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.750 16.034 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.142 16.713 13.904 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.365 9.650 11.008 1.00 0.00 N ATOM 1062 CA HIS A 71 -6.971 8.931 9.895 1.00 0.00 C ATOM 1063 C HIS A 71 -7.893 9.870 9.129 1.00 0.00 C ATOM 1064 O HIS A 71 -8.599 10.683 9.725 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.753 7.717 10.402 1.00 0.00 C ATOM 1066 CG HIS A 71 -8.658 8.023 11.554 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -9.681 8.946 11.484 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -8.691 7.522 12.811 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -10.304 8.999 12.649 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -9.722 8.144 13.471 1.00 0.00 N ATOM 0 H HIS A 71 -6.836 9.521 11.904 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.184 8.575 9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.346 7.310 9.583 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.048 6.941 10.701 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.919 9.501 10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.029 6.772 13.219 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.145 9.633 12.888 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.860 9.778 7.805 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.671 10.649 6.965 1.00 0.00 C ATOM 1081 C TYR A 72 -9.531 9.848 5.992 1.00 0.00 C ATOM 1082 O TYR A 72 -9.006 9.201 5.084 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.757 11.584 6.164 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.599 12.967 6.757 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -7.034 13.151 8.014 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -8.001 14.094 6.047 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.877 14.417 8.549 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.850 15.361 6.575 1.00 0.00 C ATOM 1089 CZ TYR A 72 -7.287 15.518 7.825 1.00 0.00 C ATOM 1090 OH TYR A 72 -7.134 16.780 8.352 1.00 0.00 O ATOM 0 H TYR A 72 -7.283 9.112 7.292 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.330 11.223 7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.772 11.124 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.152 11.679 5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.712 12.291 8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.438 13.976 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.436 14.543 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.171 16.225 6.012 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.472 17.444 7.715 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.867 9.900 6.136 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.768 9.198 5.228 1.00 0.00 C ATOM 1102 C PRO A 73 -11.717 9.837 3.849 1.00 0.00 C ATOM 1103 O PRO A 73 -11.982 11.031 3.701 1.00 0.00 O ATOM 1104 CB PRO A 73 -13.157 9.376 5.863 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.906 9.921 7.231 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.602 10.659 7.156 1.00 0.00 C ATOM 0 HA PRO A 73 -11.507 8.148 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.772 10.058 5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.691 8.427 5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.713 10.587 7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.857 9.118 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.741 11.700 6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.081 10.662 8.114 1.00 0.00 H new ATOM 1114 N VAL A 74 -11.341 9.058 2.845 1.00 0.00 N ATOM 1115 CA VAL A 74 -11.220 9.582 1.494 1.00 0.00 C ATOM 1116 C VAL A 74 -11.726 8.598 0.443 1.00 0.00 C ATOM 1117 O VAL A 74 -11.502 7.392 0.541 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.744 9.935 1.191 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.527 10.195 -0.287 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -9.302 11.133 2.014 1.00 0.00 C ATOM 0 H VAL A 74 -11.116 8.068 2.940 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.841 10.477 1.443 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.134 9.076 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.480 10.440 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.792 9.304 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.153 11.028 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.262 11.366 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.928 11.992 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.399 10.902 3.075 1.00 0.00 H new ATOM 1130 N SER A 75 -12.382 9.138 -0.580 1.00 0.00 N ATOM 1131 CA SER A 75 -12.891 8.331 -1.679 1.00 0.00 C ATOM 1132 C SER A 75 -11.849 8.295 -2.789 1.00 0.00 C ATOM 1133 O SER A 75 -11.280 9.328 -3.141 1.00 0.00 O ATOM 1134 CB SER A 75 -14.208 8.905 -2.206 1.00 0.00 C ATOM 1135 OG SER A 75 -14.026 10.216 -2.713 1.00 0.00 O ATOM 0 H SER A 75 -12.573 10.136 -0.669 1.00 0.00 H new ATOM 0 HA SER A 75 -13.085 7.319 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.601 8.259 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.948 8.921 -1.406 1.00 0.00 H new ATOM 0 HG SER A 75 -14.881 10.560 -3.045 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.573 7.111 -3.318 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.562 6.980 -4.361 1.00 0.00 C ATOM 1143 C PHE A 76 -11.019 6.070 -5.493 1.00 0.00 C ATOM 1144 O PHE A 76 -11.991 5.325 -5.364 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.248 6.442 -3.770 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.317 6.134 -2.299 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -10.188 5.169 -1.818 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.515 6.815 -1.400 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -10.255 4.889 -0.466 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.578 6.542 -0.049 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.450 5.577 0.419 1.00 0.00 C ATOM 0 H PHE A 76 -12.027 6.238 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.401 7.976 -4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.964 5.537 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.459 7.174 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.821 4.630 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.831 7.569 -1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.936 4.133 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.947 7.081 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.501 5.362 1.476 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.282 6.132 -6.595 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.560 5.314 -7.764 1.00 0.00 C ATOM 1163 C GLU A 77 -9.443 4.294 -7.938 1.00 0.00 C ATOM 1164 O GLU A 77 -8.344 4.483 -7.414 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.684 6.188 -9.015 1.00 0.00 C ATOM 1166 CG GLU A 77 -11.958 5.943 -9.805 1.00 0.00 C ATOM 1167 CD GLU A 77 -13.200 6.400 -9.064 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -13.413 5.941 -7.923 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -13.960 7.217 -9.626 1.00 0.00 O ATOM 0 H GLU A 77 -9.477 6.750 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.507 4.794 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.645 7.237 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.825 6.006 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.896 6.466 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.044 4.880 -10.029 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.724 3.210 -8.652 1.00 0.00 N ATOM 1177 CA GLY A 78 -8.720 2.180 -8.849 1.00 0.00 C ATOM 1178 C GLY A 78 -8.117 2.182 -10.243 1.00 0.00 C ATOM 1179 O GLY A 78 -8.324 1.238 -11.006 1.00 0.00 O ATOM 0 H GLY A 78 -10.624 3.026 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.924 2.315 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.168 1.205 -8.657 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.350 3.225 -10.608 1.00 0.00 N ATOM 1184 CA PRO A 79 -6.719 3.306 -11.925 1.00 0.00 C ATOM 1185 C PRO A 79 -5.632 2.249 -12.103 1.00 0.00 C ATOM 1186 O PRO A 79 -4.797 2.036 -11.215 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.109 4.711 -11.955 1.00 0.00 C ATOM 1188 CG PRO A 79 -5.933 5.085 -10.525 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.040 4.398 -9.773 1.00 0.00 C ATOM 0 HA PRO A 79 -7.433 3.128 -12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.156 4.716 -12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.764 5.415 -12.469 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.957 4.768 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.987 6.166 -10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.723 4.105 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.908 5.047 -9.655 1.00 0.00 H new ATOM 1197 N GLY A 80 -5.656 1.588 -13.255 1.00 0.00 N ATOM 1198 CA GLY A 80 -4.682 0.555 -13.543 1.00 0.00 C ATOM 1199 C GLY A 80 -3.255 1.043 -13.404 1.00 0.00 C ATOM 1200 O GLY A 80 -2.624 0.844 -12.368 1.00 0.00 O ATOM 0 H GLY A 80 -6.337 1.751 -13.997 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.841 -0.287 -12.869 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.839 0.186 -14.557 1.00 0.00 H new ATOM 1204 N LEU A 81 -2.741 1.679 -14.449 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.376 2.184 -14.428 1.00 0.00 C ATOM 1206 C LEU A 81 -1.331 3.698 -14.259 1.00 0.00 C ATOM 1207 O LEU A 81 -1.850 4.442 -15.091 1.00 0.00 O ATOM 1208 CB LEU A 81 -0.643 1.792 -15.706 1.00 0.00 C ATOM 1209 CG LEU A 81 0.786 1.292 -15.494 1.00 0.00 C ATOM 1210 CD1 LEU A 81 1.536 2.176 -14.505 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.778 -0.153 -15.021 1.00 0.00 C ATOM 0 H LEU A 81 -3.246 1.856 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.881 1.733 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.214 1.014 -16.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.617 2.654 -16.373 1.00 0.00 H new ATOM 0 HG LEU A 81 1.307 1.342 -16.450 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.549 1.797 -14.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.577 3.196 -14.887 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.019 2.169 -13.546 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.803 -0.494 -14.875 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.234 -0.225 -14.079 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.291 -0.778 -15.770 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.687 4.148 -13.186 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.550 5.573 -12.922 1.00 0.00 C ATOM 1225 C VAL A 82 0.922 5.959 -12.844 1.00 0.00 C ATOM 1226 O VAL A 82 1.674 5.418 -12.032 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.255 5.980 -11.610 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.190 7.487 -11.410 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -2.699 5.500 -11.612 1.00 0.00 C ATOM 0 H VAL A 82 -0.253 3.545 -12.487 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.026 6.103 -13.747 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.735 5.504 -10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.693 7.753 -10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.148 7.803 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.683 7.986 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.182 5.795 -10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.230 5.947 -12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.721 4.414 -11.704 1.00 0.00 H new ATOM 1239 N GLU A 83 1.330 6.895 -13.696 1.00 0.00 N ATOM 1240 CA GLU A 83 2.715 7.348 -13.726 1.00 0.00 C ATOM 1241 C GLU A 83 3.008 8.282 -12.558 1.00 0.00 C ATOM 1242 O GLU A 83 2.554 9.425 -12.533 1.00 0.00 O ATOM 1243 CB GLU A 83 3.015 8.056 -15.049 1.00 0.00 C ATOM 1244 CG GLU A 83 1.964 9.079 -15.448 1.00 0.00 C ATOM 1245 CD GLU A 83 2.476 10.074 -16.470 1.00 0.00 C ATOM 1246 OE1 GLU A 83 3.354 9.698 -17.276 1.00 0.00 O ATOM 1247 OE2 GLU A 83 2.000 11.229 -16.466 1.00 0.00 O ATOM 0 H GLU A 83 0.721 7.354 -14.374 1.00 0.00 H new ATOM 0 HA GLU A 83 3.358 6.473 -13.637 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.982 8.553 -14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.101 7.310 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.095 8.562 -15.854 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.629 9.616 -14.560 1.00 0.00 H new ATOM 1254 N VAL A 84 3.774 7.787 -11.592 1.00 0.00 N ATOM 1255 CA VAL A 84 4.129 8.577 -10.423 1.00 0.00 C ATOM 1256 C VAL A 84 5.166 9.637 -10.773 1.00 0.00 C ATOM 1257 O VAL A 84 6.238 9.324 -11.292 1.00 0.00 O ATOM 1258 CB VAL A 84 4.673 7.693 -9.285 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.617 6.697 -8.832 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.945 6.977 -9.715 1.00 0.00 C ATOM 0 H VAL A 84 4.160 6.843 -11.597 1.00 0.00 H new ATOM 0 HA VAL A 84 3.215 9.064 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 84 4.920 8.337 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.019 6.081 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.740 7.235 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.334 6.060 -9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.310 6.359 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.733 6.346 -10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.704 7.712 -9.981 1.00 0.00 H new ATOM 1270 N GLN A 85 4.833 10.892 -10.480 1.00 0.00 N ATOM 1271 CA GLN A 85 5.723 12.015 -10.756 1.00 0.00 C ATOM 1272 C GLN A 85 6.937 11.979 -9.837 1.00 0.00 C ATOM 1273 O GLN A 85 6.858 11.484 -8.712 1.00 0.00 O ATOM 1274 CB GLN A 85 4.976 13.339 -10.584 1.00 0.00 C ATOM 1275 CG GLN A 85 4.495 13.586 -9.163 1.00 0.00 C ATOM 1276 CD GLN A 85 3.587 14.795 -9.057 1.00 0.00 C ATOM 1277 OE1 GLN A 85 4.041 15.937 -9.140 1.00 0.00 O ATOM 1278 NE2 GLN A 85 2.295 14.550 -8.871 1.00 0.00 N ATOM 0 H GLN A 85 3.947 11.157 -10.049 1.00 0.00 H new ATOM 0 HA GLN A 85 6.066 11.933 -11.787 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.630 14.157 -10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.118 13.353 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.963 12.704 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.357 13.725 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.962 13.588 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.635 15.324 -8.791 1.00 0.00 H new ATOM 1287 N GLU A 86 8.064 12.494 -10.320 1.00 0.00 N ATOM 1288 CA GLU A 86 9.286 12.500 -9.528 1.00 0.00 C ATOM 1289 C GLU A 86 9.151 13.443 -8.340 1.00 0.00 C ATOM 1290 O GLU A 86 9.252 14.661 -8.483 1.00 0.00 O ATOM 1291 CB GLU A 86 10.478 12.918 -10.392 1.00 0.00 C ATOM 1292 CG GLU A 86 11.797 12.939 -9.638 1.00 0.00 C ATOM 1293 CD GLU A 86 12.907 13.612 -10.422 1.00 0.00 C ATOM 1294 OE1 GLU A 86 12.777 13.723 -11.659 1.00 0.00 O ATOM 1295 OE2 GLU A 86 13.907 14.027 -9.799 1.00 0.00 O ATOM 0 H GLU A 86 8.155 12.909 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 86 9.455 11.490 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.562 12.233 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.288 13.909 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.661 13.459 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.092 11.917 -9.402 1.00 0.00 H new ATOM 1302 N SER A 87 8.917 12.866 -7.165 1.00 0.00 N ATOM 1303 CA SER A 87 8.762 13.649 -5.944 1.00 0.00 C ATOM 1304 C SER A 87 9.361 12.927 -4.741 1.00 0.00 C ATOM 1305 O SER A 87 9.545 11.710 -4.763 1.00 0.00 O ATOM 1306 CB SER A 87 7.284 13.944 -5.689 1.00 0.00 C ATOM 1307 OG SER A 87 7.107 15.246 -5.158 1.00 0.00 O ATOM 0 H SER A 87 8.831 11.858 -7.033 1.00 0.00 H new ATOM 0 HA SER A 87 9.300 14.587 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.725 13.849 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.877 13.207 -4.996 1.00 0.00 H new ATOM 0 HG SER A 87 6.153 15.410 -5.006 1.00 0.00 H new ATOM 1313 N GLU A 88 9.647 13.688 -3.687 1.00 0.00 N ATOM 1314 CA GLU A 88 10.208 13.135 -2.458 1.00 0.00 C ATOM 1315 C GLU A 88 11.505 12.367 -2.724 1.00 0.00 C ATOM 1316 O GLU A 88 12.598 12.900 -2.534 1.00 0.00 O ATOM 1317 CB GLU A 88 9.179 12.231 -1.769 1.00 0.00 C ATOM 1318 CG GLU A 88 9.309 12.206 -0.255 1.00 0.00 C ATOM 1319 CD GLU A 88 8.014 11.826 0.434 1.00 0.00 C ATOM 1320 OE1 GLU A 88 6.935 12.150 -0.107 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.076 11.204 1.516 1.00 0.00 O ATOM 0 H GLU A 88 9.498 14.697 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 88 10.451 13.967 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.177 12.568 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.286 11.216 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.088 11.498 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.628 13.188 0.095 1.00 0.00 H new ATOM 1328 N TYR A 89 11.380 11.117 -3.161 1.00 0.00 N ATOM 1329 CA TYR A 89 12.542 10.286 -3.449 1.00 0.00 C ATOM 1330 C TYR A 89 12.191 9.192 -4.453 1.00 0.00 C ATOM 1331 O TYR A 89 12.821 8.135 -4.481 1.00 0.00 O ATOM 1332 CB TYR A 89 13.074 9.656 -2.159 1.00 0.00 C ATOM 1333 CG TYR A 89 11.999 9.015 -1.311 1.00 0.00 C ATOM 1334 CD1 TYR A 89 11.294 7.908 -1.768 1.00 0.00 C ATOM 1335 CD2 TYR A 89 11.687 9.517 -0.054 1.00 0.00 C ATOM 1336 CE1 TYR A 89 10.311 7.320 -0.996 1.00 0.00 C ATOM 1337 CE2 TYR A 89 10.705 8.935 0.724 1.00 0.00 C ATOM 1338 CZ TYR A 89 10.020 7.836 0.248 1.00 0.00 C ATOM 1339 OH TYR A 89 9.041 7.252 1.020 1.00 0.00 O ATOM 0 H TYR A 89 10.484 10.658 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 89 13.315 10.920 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.821 8.904 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.580 10.423 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.518 7.501 -2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 89 12.221 10.377 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.773 6.460 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.475 9.338 1.699 1.00 0.00 H new ATOM 0 HH TYR A 89 8.961 7.736 1.868 1.00 0.00 H new ATOM 1349 N TYR A 90 11.181 9.455 -5.275 1.00 0.00 N ATOM 1350 CA TYR A 90 10.741 8.498 -6.282 1.00 0.00 C ATOM 1351 C TYR A 90 10.807 9.118 -7.676 1.00 0.00 C ATOM 1352 O TYR A 90 10.214 10.169 -7.916 1.00 0.00 O ATOM 1353 CB TYR A 90 9.312 8.042 -5.984 1.00 0.00 C ATOM 1354 CG TYR A 90 9.012 6.631 -6.437 1.00 0.00 C ATOM 1355 CD1 TYR A 90 9.167 6.261 -7.768 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.571 5.671 -5.536 1.00 0.00 C ATOM 1357 CE1 TYR A 90 8.890 4.974 -8.186 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.293 4.382 -5.947 1.00 0.00 C ATOM 1359 CZ TYR A 90 8.454 4.039 -7.271 1.00 0.00 C ATOM 1360 OH TYR A 90 8.178 2.757 -7.686 1.00 0.00 O ATOM 0 H TYR A 90 10.650 10.326 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 90 11.406 7.635 -6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.134 8.114 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.615 8.725 -6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.509 6.991 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.443 5.936 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 90 9.014 4.702 -9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.951 3.647 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 90 9.016 2.263 -7.801 1.00 0.00 H new ATOM 1370 N PRO A 91 11.531 8.478 -8.614 1.00 0.00 N ATOM 1371 CA PRO A 91 11.673 8.975 -9.987 1.00 0.00 C ATOM 1372 C PRO A 91 10.428 8.721 -10.832 1.00 0.00 C ATOM 1373 O PRO A 91 9.721 7.737 -10.625 1.00 0.00 O ATOM 1374 CB PRO A 91 12.855 8.171 -10.525 1.00 0.00 C ATOM 1375 CG PRO A 91 12.801 6.884 -9.779 1.00 0.00 C ATOM 1376 CD PRO A 91 12.275 7.219 -8.406 1.00 0.00 C ATOM 0 HA PRO A 91 11.818 10.055 -10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.770 8.011 -11.600 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.798 8.690 -10.354 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.150 6.169 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.789 6.427 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.628 6.430 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.084 7.346 -7.687 1.00 0.00 H new ATOM 1384 N LYS A 92 10.167 9.619 -11.785 1.00 0.00 N ATOM 1385 CA LYS A 92 9.006 9.500 -12.670 1.00 0.00 C ATOM 1386 C LYS A 92 8.870 8.078 -13.214 1.00 0.00 C ATOM 1387 O LYS A 92 9.419 7.750 -14.265 1.00 0.00 O ATOM 1388 CB LYS A 92 9.126 10.493 -13.830 1.00 0.00 C ATOM 1389 CG LYS A 92 8.094 11.607 -13.785 1.00 0.00 C ATOM 1390 CD LYS A 92 6.912 11.310 -14.695 1.00 0.00 C ATOM 1391 CE LYS A 92 6.339 12.584 -15.297 1.00 0.00 C ATOM 1392 NZ LYS A 92 6.185 13.660 -14.280 1.00 0.00 N ATOM 0 H LYS A 92 10.746 10.439 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 92 8.113 9.729 -12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.124 10.932 -13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.025 9.953 -14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.743 11.737 -12.761 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.558 12.547 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.226 10.638 -15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.137 10.793 -14.130 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.992 12.932 -16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.370 12.369 -15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.555 14.400 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.776 13.261 -13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.116 14.072 -14.067 1.00 0.00 H new ATOM 1406 N ARG A 93 8.146 7.234 -12.484 1.00 0.00 N ATOM 1407 CA ARG A 93 7.955 5.844 -12.890 1.00 0.00 C ATOM 1408 C ARG A 93 6.477 5.475 -13.004 1.00 0.00 C ATOM 1409 O ARG A 93 5.594 6.263 -12.669 1.00 0.00 O ATOM 1410 CB ARG A 93 8.643 4.907 -11.897 1.00 0.00 C ATOM 1411 CG ARG A 93 10.111 5.233 -11.670 1.00 0.00 C ATOM 1412 CD ARG A 93 11.017 4.126 -12.190 1.00 0.00 C ATOM 1413 NE ARG A 93 11.477 3.247 -11.117 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.344 2.254 -11.295 1.00 0.00 C ATOM 1415 NH1 ARG A 93 12.848 2.009 -12.498 1.00 0.00 N ATOM 1416 NH2 ARG A 93 12.711 1.502 -10.265 1.00 0.00 N ATOM 0 H ARG A 93 7.683 7.487 -11.611 1.00 0.00 H new ATOM 0 HA ARG A 93 8.403 5.731 -13.877 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.117 4.953 -10.943 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.559 3.882 -12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.358 6.170 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.291 5.381 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.481 3.539 -12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.878 4.568 -12.691 1.00 0.00 H new ATOM 0 HE ARG A 93 11.112 3.404 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.571 2.584 -13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.512 1.246 -12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.328 1.686 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.376 0.740 -10.401 1.00 0.00 H new ATOM 1430 N TYR A 94 6.227 4.259 -13.483 1.00 0.00 N ATOM 1431 CA TYR A 94 4.871 3.748 -13.650 1.00 0.00 C ATOM 1432 C TYR A 94 4.485 2.817 -12.500 1.00 0.00 C ATOM 1433 O TYR A 94 5.249 1.927 -12.129 1.00 0.00 O ATOM 1434 CB TYR A 94 4.758 3.007 -14.980 1.00 0.00 C ATOM 1435 CG TYR A 94 4.375 3.907 -16.124 1.00 0.00 C ATOM 1436 CD1 TYR A 94 5.120 5.040 -16.409 1.00 0.00 C ATOM 1437 CD2 TYR A 94 3.268 3.631 -16.912 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.775 5.874 -17.450 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.913 4.458 -17.955 1.00 0.00 C ATOM 1440 CZ TYR A 94 3.671 5.581 -18.222 1.00 0.00 C ATOM 1441 OH TYR A 94 3.321 6.411 -19.262 1.00 0.00 O ATOM 0 H TYR A 94 6.956 3.603 -13.765 1.00 0.00 H new ATOM 0 HA TYR A 94 4.185 4.595 -13.645 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.711 2.528 -15.205 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.017 2.213 -14.886 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.985 5.273 -15.806 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.674 2.753 -16.705 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.366 6.753 -17.660 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.048 4.230 -18.560 1.00 0.00 H new ATOM 0 HH TYR A 94 2.520 6.061 -19.705 1.00 0.00 H new ATOM 1451 N GLN A 95 3.296 3.030 -11.941 1.00 0.00 N ATOM 1452 CA GLN A 95 2.811 2.211 -10.831 1.00 0.00 C ATOM 1453 C GLN A 95 1.524 1.478 -11.205 1.00 0.00 C ATOM 1454 O GLN A 95 0.501 2.108 -11.475 1.00 0.00 O ATOM 1455 CB GLN A 95 2.571 3.083 -9.598 1.00 0.00 C ATOM 1456 CG GLN A 95 3.810 3.273 -8.738 1.00 0.00 C ATOM 1457 CD GLN A 95 3.959 2.193 -7.685 1.00 0.00 C ATOM 1458 OE1 GLN A 95 3.116 1.304 -7.566 1.00 0.00 O ATOM 1459 NE2 GLN A 95 5.035 2.266 -6.911 1.00 0.00 N ATOM 0 H GLN A 95 2.651 3.762 -12.238 1.00 0.00 H new ATOM 0 HA GLN A 95 3.575 1.467 -10.605 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.208 4.059 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.784 2.633 -8.993 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.694 3.278 -9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.764 4.247 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.709 3.020 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.188 1.568 -6.183 1.00 0.00 H new ATOM 1468 N SER A 96 1.575 0.143 -11.225 1.00 0.00 N ATOM 1469 CA SER A 96 0.400 -0.653 -11.574 1.00 0.00 C ATOM 1470 C SER A 96 -0.525 -0.854 -10.372 1.00 0.00 C ATOM 1471 O SER A 96 -0.071 -0.973 -9.235 1.00 0.00 O ATOM 1472 CB SER A 96 0.825 -2.012 -12.129 1.00 0.00 C ATOM 1473 OG SER A 96 -0.302 -2.812 -12.440 1.00 0.00 O ATOM 0 H SER A 96 2.409 -0.402 -11.006 1.00 0.00 H new ATOM 0 HA SER A 96 -0.151 -0.104 -12.337 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.431 -1.869 -13.024 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.450 -2.527 -11.399 1.00 0.00 H new ATOM 0 HG SER A 96 -0.013 -3.604 -12.939 1.00 0.00 H new ATOM 1479 N HIS A 97 -1.827 -0.902 -10.647 1.00 0.00 N ATOM 1480 CA HIS A 97 -2.841 -1.104 -9.612 1.00 0.00 C ATOM 1481 C HIS A 97 -2.687 -0.114 -8.457 1.00 0.00 C ATOM 1482 O HIS A 97 -2.398 -0.508 -7.323 1.00 0.00 O ATOM 1483 CB HIS A 97 -2.773 -2.536 -9.080 1.00 0.00 C ATOM 1484 CG HIS A 97 -4.103 -3.081 -8.658 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.309 -3.709 -7.448 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -5.299 -3.087 -9.293 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -5.574 -4.079 -7.357 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -6.196 -3.712 -8.462 1.00 0.00 N ATOM 0 H HIS A 97 -2.208 -0.803 -11.588 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.814 -0.929 -10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -2.353 -3.182 -9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.090 -2.568 -8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.508 -2.677 -10.270 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.023 -4.594 -6.521 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.183 -3.868 -8.666 1.00 0.00 H new ATOM 1497 N VAL A 98 -2.896 1.171 -8.740 1.00 0.00 N ATOM 1498 CA VAL A 98 -2.787 2.194 -7.705 1.00 0.00 C ATOM 1499 C VAL A 98 -4.077 3.004 -7.592 1.00 0.00 C ATOM 1500 O VAL A 98 -4.719 3.305 -8.595 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.590 3.141 -7.955 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -1.799 3.996 -9.193 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.337 4.023 -6.745 1.00 0.00 C ATOM 0 H VAL A 98 -3.139 1.524 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.615 1.672 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.713 2.516 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.937 4.648 -9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.914 3.352 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.696 4.603 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.491 4.680 -6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.223 4.624 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.115 3.399 -5.880 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.449 3.350 -6.364 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.659 4.128 -6.116 1.00 0.00 C ATOM 1515 C LEU A 99 -5.297 5.581 -5.842 1.00 0.00 C ATOM 1516 O LEU A 99 -4.283 5.860 -5.205 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.435 3.546 -4.933 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.248 2.290 -5.247 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.328 1.109 -5.511 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.206 1.977 -4.107 1.00 0.00 C ATOM 0 H LEU A 99 -3.929 3.103 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.292 4.082 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.730 3.314 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.110 4.311 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.833 2.476 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.926 0.225 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.683 1.333 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.715 0.921 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.777 1.080 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.639 1.812 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.889 2.815 -3.965 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.115 6.510 -6.330 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.834 7.928 -6.127 1.00 0.00 C ATOM 1534 C LEU A 100 -7.062 8.706 -5.660 1.00 0.00 C ATOM 1535 O LEU A 100 -8.183 8.457 -6.105 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.272 8.544 -7.410 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.754 8.739 -7.410 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.281 9.269 -8.751 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.338 9.679 -6.289 1.00 0.00 C ATOM 0 H LEU A 100 -6.964 6.312 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.090 7.998 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.544 7.908 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.749 9.510 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.285 7.770 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.199 9.400 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.545 8.560 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.759 10.228 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.256 9.806 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.819 10.647 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.641 9.258 -5.330 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.826 9.659 -4.758 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.888 10.500 -4.215 1.00 0.00 C ATOM 1553 C ALA A 101 -7.340 11.858 -3.791 1.00 0.00 C ATOM 1554 O ALA A 101 -6.208 11.958 -3.326 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.551 9.820 -3.031 1.00 0.00 C ATOM 0 H ALA A 101 -5.899 9.867 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.630 10.652 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.340 10.461 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.980 8.870 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.809 9.640 -2.253 1.00 0.00 H new ATOM 1561 N THR A 102 -8.145 12.902 -3.942 1.00 0.00 N ATOM 1562 CA THR A 102 -7.718 14.244 -3.564 1.00 0.00 C ATOM 1563 C THR A 102 -8.279 14.639 -2.200 1.00 0.00 C ATOM 1564 O THR A 102 -9.479 14.520 -1.951 1.00 0.00 O ATOM 1565 CB THR A 102 -8.138 15.259 -4.628 1.00 0.00 C ATOM 1566 OG1 THR A 102 -8.029 16.581 -4.131 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.557 15.066 -5.115 1.00 0.00 C ATOM 0 H THR A 102 -9.091 12.847 -4.321 1.00 0.00 H new ATOM 0 HA THR A 102 -6.630 14.242 -3.492 1.00 0.00 H new ATOM 0 HB THR A 102 -7.460 15.095 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.135 16.715 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.789 15.819 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.660 14.073 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.246 15.167 -4.277 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.396 15.107 -1.321 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.810 15.513 0.013 1.00 0.00 C ATOM 1577 C GLY A 103 -7.736 17.015 0.210 1.00 0.00 C ATOM 1578 O GLY A 103 -8.453 17.771 -0.446 1.00 0.00 O ATOM 0 H GLY A 103 -6.399 15.213 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.831 15.176 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.178 15.021 0.752 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.863 17.447 1.115 1.00 0.00 N ATOM 1583 CA PHE A 104 -6.693 18.867 1.398 1.00 0.00 C ATOM 1584 C PHE A 104 -5.252 19.173 1.794 1.00 0.00 C ATOM 1585 O PHE A 104 -4.991 20.095 2.567 1.00 0.00 O ATOM 1586 CB PHE A 104 -7.649 19.304 2.511 1.00 0.00 C ATOM 1587 CG PHE A 104 -8.814 20.115 2.017 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -9.938 19.493 1.497 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -8.785 21.499 2.074 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -11.010 20.235 1.041 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -9.855 22.247 1.621 1.00 0.00 C ATOM 1592 CZ PHE A 104 -10.969 21.615 1.104 1.00 0.00 C ATOM 0 H PHE A 104 -6.262 16.833 1.665 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.926 19.425 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.024 18.419 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.095 19.888 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.976 18.415 1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.917 21.999 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.879 19.738 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.820 23.325 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 104 -11.806 22.198 0.750 1.00 0.00 H new ATOM 1602 N SER A 105 -4.318 18.391 1.260 1.00 0.00 N ATOM 1603 CA SER A 105 -2.903 18.575 1.558 1.00 0.00 C ATOM 1604 C SER A 105 -2.210 19.356 0.445 1.00 0.00 C ATOM 1605 O SER A 105 -2.866 19.994 -0.379 1.00 0.00 O ATOM 1606 CB SER A 105 -2.222 17.218 1.749 1.00 0.00 C ATOM 1607 OG SER A 105 -3.014 16.358 2.552 1.00 0.00 O ATOM 0 H SER A 105 -4.517 17.624 0.618 1.00 0.00 H new ATOM 0 HA SER A 105 -2.821 19.148 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.048 16.755 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.247 17.359 2.215 1.00 0.00 H new ATOM 0 HG SER A 105 -2.432 15.830 3.138 1.00 0.00 H new ATOM 1613 N GLU A 106 -0.882 19.302 0.423 1.00 0.00 N ATOM 1614 CA GLU A 106 -0.103 20.003 -0.591 1.00 0.00 C ATOM 1615 C GLU A 106 1.302 19.410 -0.711 1.00 0.00 C ATOM 1616 O GLU A 106 1.652 18.837 -1.742 1.00 0.00 O ATOM 1617 CB GLU A 106 -0.025 21.498 -0.266 1.00 0.00 C ATOM 1618 CG GLU A 106 -0.828 22.370 -1.218 1.00 0.00 C ATOM 1619 CD GLU A 106 -1.554 23.494 -0.506 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -1.062 23.945 0.549 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -2.617 23.923 -1.003 1.00 0.00 O ATOM 0 H GLU A 106 -0.322 18.779 1.097 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.606 19.879 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.383 21.659 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.018 21.813 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.160 22.792 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.553 21.752 -1.747 1.00 0.00 H new ATOM 1628 N PRO A 107 2.129 19.537 0.344 1.00 0.00 N ATOM 1629 CA PRO A 107 3.496 19.005 0.337 1.00 0.00 C ATOM 1630 C PRO A 107 3.524 17.481 0.375 1.00 0.00 C ATOM 1631 O PRO A 107 4.322 16.847 -0.313 1.00 0.00 O ATOM 1632 CB PRO A 107 4.111 19.583 1.612 1.00 0.00 C ATOM 1633 CG PRO A 107 2.952 19.826 2.514 1.00 0.00 C ATOM 1634 CD PRO A 107 1.804 20.204 1.620 1.00 0.00 C ATOM 0 HA PRO A 107 4.034 19.277 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 107 4.822 18.888 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 107 4.653 20.506 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 107 2.717 18.935 3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.171 20.622 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.851 19.859 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.727 21.285 1.500 1.00 0.00 H new ATOM 1642 N GLY A 108 2.644 16.899 1.185 1.00 0.00 N ATOM 1643 CA GLY A 108 2.585 15.453 1.298 1.00 0.00 C ATOM 1644 C GLY A 108 3.424 14.923 2.444 1.00 0.00 C ATOM 1645 O GLY A 108 4.545 15.382 2.665 1.00 0.00 O ATOM 0 H GLY A 108 1.972 17.402 1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.549 15.145 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.927 15.005 0.365 1.00 0.00 H new ATOM 1649 N ASP A 109 2.880 13.955 3.175 1.00 0.00 N ATOM 1650 CA ASP A 109 3.586 13.360 4.305 1.00 0.00 C ATOM 1651 C ASP A 109 3.928 11.900 4.027 1.00 0.00 C ATOM 1652 O ASP A 109 4.987 11.414 4.421 1.00 0.00 O ATOM 1653 CB ASP A 109 2.739 13.465 5.574 1.00 0.00 C ATOM 1654 CG ASP A 109 3.582 13.473 6.833 1.00 0.00 C ATOM 1655 OD1 ASP A 109 4.627 12.789 6.853 1.00 0.00 O ATOM 1656 OD2 ASP A 109 3.199 14.163 7.801 1.00 0.00 O ATOM 0 H ASP A 109 1.953 13.566 3.005 1.00 0.00 H new ATOM 0 HA ASP A 109 4.516 13.910 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.142 14.376 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.042 12.628 5.612 1.00 0.00 H new ATOM 1661 N ALA A 110 3.022 11.206 3.345 1.00 0.00 N ATOM 1662 CA ALA A 110 3.227 9.800 3.013 1.00 0.00 C ATOM 1663 C ALA A 110 3.360 8.951 4.273 1.00 0.00 C ATOM 1664 O ALA A 110 3.426 9.479 5.384 1.00 0.00 O ATOM 1665 CB ALA A 110 4.457 9.640 2.133 1.00 0.00 C ATOM 0 H ALA A 110 2.139 11.594 3.012 1.00 0.00 H new ATOM 0 HA ALA A 110 2.353 9.451 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.598 8.586 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.322 10.207 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.334 10.012 2.663 1.00 0.00 H new ATOM 1671 N GLY A 111 3.400 7.636 4.093 1.00 0.00 N ATOM 1672 CA GLY A 111 3.527 6.735 5.225 1.00 0.00 C ATOM 1673 C GLY A 111 2.183 6.320 5.788 1.00 0.00 C ATOM 1674 O GLY A 111 1.490 7.120 6.417 1.00 0.00 O ATOM 0 H GLY A 111 3.347 7.177 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.079 5.847 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.111 7.219 6.007 1.00 0.00 H new ATOM 1678 N GLY A 112 1.812 5.063 5.563 1.00 0.00 N ATOM 1679 CA GLY A 112 0.544 4.562 6.060 1.00 0.00 C ATOM 1680 C GLY A 112 -0.152 3.655 5.064 1.00 0.00 C ATOM 1681 O GLY A 112 0.109 3.725 3.863 1.00 0.00 O ATOM 0 H GLY A 112 2.368 4.382 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.711 4.016 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.107 5.403 6.298 1.00 0.00 H new ATOM 1685 N ILE A 113 -1.038 2.801 5.564 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.774 1.875 4.711 1.00 0.00 C ATOM 1687 C ILE A 113 -3.244 2.271 4.612 1.00 0.00 C ATOM 1688 O ILE A 113 -3.827 2.774 5.572 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.681 0.429 5.237 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -2.141 0.363 6.694 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.258 -0.098 5.102 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -2.130 -1.036 7.268 1.00 0.00 C ATOM 0 H ILE A 113 -1.264 2.731 6.556 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.317 1.925 3.723 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.338 -0.201 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.496 1.000 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.150 0.769 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.211 -1.120 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.037 -0.084 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.420 0.532 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.468 -1.007 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.797 -1.673 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.118 -1.438 7.228 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.840 2.038 3.446 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.245 2.366 3.229 1.00 0.00 C ATOM 1706 C LEU A 114 -6.135 1.203 3.653 1.00 0.00 C ATOM 1707 O LEU A 114 -6.052 0.112 3.090 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.494 2.705 1.757 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.967 2.830 1.361 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.650 3.901 2.195 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -7.101 3.140 -0.122 1.00 0.00 C ATOM 0 H LEU A 114 -3.373 1.624 2.639 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.491 3.237 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.991 3.644 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.032 1.935 1.139 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.457 1.876 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.697 3.978 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.587 3.635 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.156 4.859 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.156 3.225 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.596 4.080 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.647 2.338 -0.704 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.975 1.438 4.655 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.868 0.400 5.157 1.00 0.00 C ATOM 1725 C ARG A 115 -9.338 0.784 4.994 1.00 0.00 C ATOM 1726 O ARG A 115 -9.710 1.953 5.122 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.569 0.119 6.631 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.093 -0.100 6.920 1.00 0.00 C ATOM 1729 CD ARG A 115 -5.876 -0.692 8.304 1.00 0.00 C ATOM 1730 NE ARG A 115 -4.832 0.015 9.043 1.00 0.00 N ATOM 1731 CZ ARG A 115 -4.592 -0.164 10.341 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.316 -1.023 11.046 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -3.622 0.520 10.934 1.00 0.00 N ATOM 0 H ARG A 115 -7.056 2.335 5.134 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.690 -0.499 4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.929 0.954 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.127 -0.763 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.669 -0.766 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.562 0.848 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.809 -0.652 8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.605 -1.744 8.210 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.254 0.684 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.062 -1.552 10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.126 -1.155 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.062 1.181 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.436 0.385 11.928 1.00 0.00 H new ATOM 1747 N CYS A 116 -10.170 -0.222 4.735 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.607 -0.025 4.583 1.00 0.00 C ATOM 1749 C CYS A 116 -12.324 -0.593 5.799 1.00 0.00 C ATOM 1750 O CYS A 116 -11.740 -1.361 6.563 1.00 0.00 O ATOM 1751 CB CYS A 116 -12.122 -0.721 3.313 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.803 -0.224 2.812 1.00 0.00 S ATOM 0 H CYS A 116 -9.868 -1.190 4.625 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.806 1.043 4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.435 -0.511 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -12.107 -1.799 3.473 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.589 -0.235 5.974 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.364 -0.741 7.100 1.00 0.00 C ATOM 1759 C GLU A 117 -14.359 -2.271 7.109 1.00 0.00 C ATOM 1760 O GLU A 117 -14.670 -2.896 8.123 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.802 -0.219 7.034 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.111 0.847 8.074 1.00 0.00 C ATOM 1763 CD GLU A 117 -17.493 0.688 8.676 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -18.438 0.379 7.921 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -17.629 0.871 9.904 1.00 0.00 O ATOM 0 H GLU A 117 -14.097 0.398 5.357 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.904 -0.386 8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.986 0.190 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -16.489 -1.054 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.365 0.802 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.029 1.832 7.615 1.00 0.00 H new ATOM 1772 N HIS A 118 -14.003 -2.866 5.969 1.00 0.00 N ATOM 1773 CA HIS A 118 -13.958 -4.315 5.840 1.00 0.00 C ATOM 1774 C HIS A 118 -12.557 -4.863 6.128 1.00 0.00 C ATOM 1775 O HIS A 118 -12.418 -5.941 6.707 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.406 -4.728 4.437 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.768 -4.223 4.072 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -16.027 -2.902 3.765 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -16.954 -4.869 3.964 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.309 -2.757 3.484 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.895 -3.936 3.598 1.00 0.00 N ATOM 0 H HIS A 118 -13.742 -2.361 5.122 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.639 -4.739 6.578 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.683 -4.358 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.400 -5.816 4.368 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -15.334 -2.153 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.128 -5.921 4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.795 -1.833 3.208 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.517 -4.126 5.726 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.156 -4.587 5.966 1.00 0.00 C ATOM 1791 C GLY A 119 -9.084 -3.651 5.430 1.00 0.00 C ATOM 1792 O GLY A 119 -9.165 -2.436 5.596 1.00 0.00 O ATOM 0 H GLY A 119 -11.592 -3.230 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.010 -4.714 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.029 -5.568 5.509 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.065 -4.239 4.806 1.00 0.00 N ATOM 1797 CA VAL A 120 -6.937 -3.487 4.248 1.00 0.00 C ATOM 1798 C VAL A 120 -7.000 -3.392 2.726 1.00 0.00 C ATOM 1799 O VAL A 120 -7.258 -4.382 2.043 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.582 -4.130 4.612 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.453 -3.135 4.428 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.585 -4.684 6.027 1.00 0.00 C ATOM 0 H VAL A 120 -7.996 -5.248 4.672 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.014 -2.491 4.685 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.422 -4.968 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.506 -3.607 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.421 -2.809 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.619 -2.273 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.614 -5.128 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.782 -3.877 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.361 -5.444 6.118 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.728 -2.201 2.199 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.716 -1.988 0.755 1.00 0.00 C ATOM 1814 C ILE A 121 -5.293 -2.115 0.229 1.00 0.00 C ATOM 1815 O ILE A 121 -5.060 -2.685 -0.835 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.276 -0.602 0.364 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.764 -0.518 0.685 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.042 -0.321 -1.116 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -9.061 -0.585 2.162 1.00 0.00 C ATOM 0 H ILE A 121 -6.513 -1.370 2.750 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.358 -2.748 0.310 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.748 0.153 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.163 0.413 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.284 -1.332 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -7.445 0.660 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.972 -0.339 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -7.542 -1.083 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -10.138 -0.520 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.692 -1.528 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.569 0.244 2.670 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.341 -1.579 0.988 1.00 0.00 N ATOM 1832 CA GLY A 122 -2.950 -1.644 0.587 1.00 0.00 C ATOM 1833 C GLY A 122 -2.079 -0.638 1.314 1.00 0.00 C ATOM 1834 O GLY A 122 -2.420 -0.184 2.406 1.00 0.00 O ATOM 0 H GLY A 122 -4.510 -1.101 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.570 -2.648 0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.878 -1.471 -0.487 1.00 0.00 H new ATOM 1838 N LEU A 123 -0.949 -0.294 0.705 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.019 0.659 1.299 1.00 0.00 C ATOM 1840 C LEU A 123 0.111 1.905 0.429 1.00 0.00 C ATOM 1841 O LEU A 123 -0.282 1.903 -0.736 1.00 0.00 O ATOM 1842 CB LEU A 123 1.355 0.012 1.492 1.00 0.00 C ATOM 1843 CG LEU A 123 1.779 -0.953 0.384 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.294 -1.080 0.338 1.00 0.00 C ATOM 1845 CD2 LEU A 123 1.134 -2.317 0.587 1.00 0.00 C ATOM 0 H LEU A 123 -0.655 -0.661 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.413 0.955 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.103 0.801 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.356 -0.525 2.440 1.00 0.00 H new ATOM 0 HG LEU A 123 1.439 -0.551 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.577 -1.771 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.735 -0.103 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.657 -1.458 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.447 -2.990 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.443 -2.726 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.049 -2.213 0.569 1.00 0.00 H new ATOM 1857 N VAL A 124 0.659 2.968 1.004 1.00 0.00 N ATOM 1858 CA VAL A 124 0.833 4.222 0.284 1.00 0.00 C ATOM 1859 C VAL A 124 1.878 4.090 -0.822 1.00 0.00 C ATOM 1860 O VAL A 124 2.977 3.584 -0.595 1.00 0.00 O ATOM 1861 CB VAL A 124 1.246 5.362 1.236 1.00 0.00 C ATOM 1862 CG1 VAL A 124 2.580 5.053 1.899 1.00 0.00 C ATOM 1863 CG2 VAL A 124 1.307 6.688 0.492 1.00 0.00 C ATOM 0 H VAL A 124 0.991 2.986 1.968 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.131 4.463 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 124 0.490 5.445 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.853 5.870 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.496 4.129 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.348 4.938 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.600 7.479 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.038 6.620 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 124 0.327 6.916 0.074 1.00 0.00 H new ATOM 1873 N THR A 125 1.528 4.559 -2.018 1.00 0.00 N ATOM 1874 CA THR A 125 2.437 4.502 -3.157 1.00 0.00 C ATOM 1875 C THR A 125 3.051 5.879 -3.413 1.00 0.00 C ATOM 1876 O THR A 125 4.128 6.185 -2.901 1.00 0.00 O ATOM 1877 CB THR A 125 1.704 3.982 -4.403 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.609 2.570 -4.370 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.371 4.362 -5.711 1.00 0.00 C ATOM 0 H THR A 125 0.622 4.982 -2.222 1.00 0.00 H new ATOM 0 HA THR A 125 3.245 3.807 -2.929 1.00 0.00 H new ATOM 0 HB THR A 125 0.722 4.454 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.131 2.225 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.795 3.959 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.417 5.448 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.381 3.953 -5.737 1.00 0.00 H new ATOM 1887 N MET A 126 2.371 6.708 -4.203 1.00 0.00 N ATOM 1888 CA MET A 126 2.878 8.043 -4.505 1.00 0.00 C ATOM 1889 C MET A 126 1.803 9.105 -4.305 1.00 0.00 C ATOM 1890 O MET A 126 0.618 8.797 -4.256 1.00 0.00 O ATOM 1891 CB MET A 126 3.411 8.097 -5.934 1.00 0.00 C ATOM 1892 CG MET A 126 4.893 8.394 -6.008 1.00 0.00 C ATOM 1893 SD MET A 126 5.228 10.086 -6.522 1.00 0.00 S ATOM 1894 CE MET A 126 6.857 10.297 -5.833 1.00 0.00 C ATOM 0 H MET A 126 1.478 6.482 -4.641 1.00 0.00 H new ATOM 0 HA MET A 126 3.693 8.254 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.213 7.144 -6.425 1.00 0.00 H new ATOM 0 HB3 MET A 126 2.866 8.860 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 126 5.346 8.217 -5.032 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.365 7.704 -6.708 1.00 0.00 H new ATOM 0 HE1 MET A 126 6.877 11.195 -5.215 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.109 9.430 -5.222 1.00 0.00 H new ATOM 0 HE3 MET A 126 7.583 10.395 -6.640 1.00 0.00 H new ATOM 1904 N GLY A 127 2.228 10.360 -4.188 1.00 0.00 N ATOM 1905 CA GLY A 127 1.286 11.447 -3.994 1.00 0.00 C ATOM 1906 C GLY A 127 1.565 12.631 -4.900 1.00 0.00 C ATOM 1907 O GLY A 127 2.709 12.876 -5.280 1.00 0.00 O ATOM 0 H GLY A 127 3.207 10.643 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.275 11.084 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.323 11.773 -2.955 1.00 0.00 H new ATOM 1911 N GLY A 128 0.513 13.368 -5.245 1.00 0.00 N ATOM 1912 CA GLY A 128 0.668 14.527 -6.107 1.00 0.00 C ATOM 1913 C GLY A 128 0.586 15.832 -5.342 1.00 0.00 C ATOM 1914 O GLY A 128 0.897 15.883 -4.152 1.00 0.00 O ATOM 0 H GLY A 128 -0.444 13.184 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 128 1.628 14.469 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -0.105 14.511 -6.876 1.00 0.00 H new ATOM 1918 N GLU A 129 0.167 16.891 -6.026 1.00 0.00 N ATOM 1919 CA GLU A 129 0.046 18.205 -5.404 1.00 0.00 C ATOM 1920 C GLU A 129 -1.138 18.250 -4.439 1.00 0.00 C ATOM 1921 O GLU A 129 -1.203 19.115 -3.565 1.00 0.00 O ATOM 1922 CB GLU A 129 -0.116 19.282 -6.476 1.00 0.00 C ATOM 1923 CG GLU A 129 -1.235 18.990 -7.464 1.00 0.00 C ATOM 1924 CD GLU A 129 -2.414 19.931 -7.305 1.00 0.00 C ATOM 1925 OE1 GLU A 129 -2.909 20.076 -6.168 1.00 0.00 O ATOM 1926 OE2 GLU A 129 -2.841 20.523 -8.320 1.00 0.00 O ATOM 0 H GLU A 129 -0.095 16.865 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 129 0.957 18.395 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.310 20.239 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.822 19.385 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.847 19.068 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.574 17.963 -7.330 1.00 0.00 H new ATOM 1933 N GLY A 130 -2.070 17.316 -4.601 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.234 17.274 -3.732 1.00 0.00 C ATOM 1935 C GLY A 130 -3.980 15.952 -3.799 1.00 0.00 C ATOM 1936 O GLY A 130 -5.131 15.862 -3.368 1.00 0.00 O ATOM 0 H GLY A 130 -2.041 16.589 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.919 17.455 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.913 18.082 -4.005 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.328 14.920 -4.332 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.943 13.603 -4.444 1.00 0.00 C ATOM 1942 C VAL A 131 -3.133 12.563 -3.677 1.00 0.00 C ATOM 1943 O VAL A 131 -1.944 12.753 -3.423 1.00 0.00 O ATOM 1944 CB VAL A 131 -4.085 13.152 -5.914 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.305 12.259 -6.081 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -4.167 14.349 -6.851 1.00 0.00 C ATOM 0 H VAL A 131 -2.375 14.973 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.941 13.685 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.195 12.580 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.390 11.950 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.200 11.377 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.201 12.809 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.266 14.000 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.032 14.958 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -3.261 14.947 -6.757 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.787 11.469 -3.303 1.00 0.00 N ATOM 1957 CA VAL A 132 -3.131 10.408 -2.555 1.00 0.00 C ATOM 1958 C VAL A 132 -3.082 9.110 -3.356 1.00 0.00 C ATOM 1959 O VAL A 132 -4.118 8.544 -3.696 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.854 10.151 -1.215 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.991 11.442 -0.424 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -5.222 9.520 -1.444 1.00 0.00 C ATOM 0 H VAL A 132 -4.771 11.296 -3.507 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.111 10.739 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.250 9.452 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.503 11.240 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.001 11.849 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.567 12.164 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.709 9.350 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.835 10.189 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -5.102 8.569 -1.964 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.874 8.639 -3.641 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.718 7.405 -4.391 1.00 0.00 C ATOM 1974 C GLY A 133 -1.411 6.228 -3.488 1.00 0.00 C ATOM 1975 O GLY A 133 -0.441 6.257 -2.730 1.00 0.00 O ATOM 0 H GLY A 133 -1.000 9.088 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.631 7.204 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.916 7.522 -5.119 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.242 5.194 -3.558 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.054 4.010 -2.728 1.00 0.00 C ATOM 1981 C PHE A 134 -1.977 2.742 -3.575 1.00 0.00 C ATOM 1982 O PHE A 134 -2.720 2.583 -4.540 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.201 3.893 -1.720 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.472 5.164 -0.960 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.431 5.985 -0.558 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.771 5.534 -0.641 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.678 7.148 0.145 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -5.022 6.696 0.061 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.975 7.503 0.455 1.00 0.00 C ATOM 0 H PHE A 134 -3.050 5.152 -4.179 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.109 4.118 -2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.107 3.595 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.970 3.098 -1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.414 5.712 -0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.595 4.906 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.857 7.779 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -6.038 6.973 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 134 -4.170 8.412 1.005 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.081 1.835 -3.197 1.00 0.00 N ATOM 2000 CA ALA A 135 -0.918 0.575 -3.913 1.00 0.00 C ATOM 2001 C ALA A 135 -1.859 -0.479 -3.338 1.00 0.00 C ATOM 2002 O ALA A 135 -1.731 -0.871 -2.180 1.00 0.00 O ATOM 2003 CB ALA A 135 0.529 0.110 -3.838 1.00 0.00 C ATOM 0 H ALA A 135 -0.457 1.950 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.172 0.727 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.637 -0.832 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.177 0.862 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.811 -0.034 -2.795 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.822 -0.912 -4.147 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.809 -1.896 -3.707 1.00 0.00 C ATOM 2011 C ASP A 136 -3.225 -3.303 -3.585 1.00 0.00 C ATOM 2012 O ASP A 136 -2.357 -3.703 -4.360 1.00 0.00 O ATOM 2013 CB ASP A 136 -4.992 -1.915 -4.677 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.322 -2.076 -3.967 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.361 -2.778 -2.934 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.323 -1.502 -4.442 1.00 0.00 O ATOM 0 H ASP A 136 -2.941 -0.598 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.139 -1.594 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -5.001 -0.989 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -4.862 -2.731 -5.388 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.742 -4.055 -2.612 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.319 -5.435 -2.379 1.00 0.00 C ATOM 2023 C VAL A 137 -4.389 -6.406 -2.882 1.00 0.00 C ATOM 2024 O VAL A 137 -4.291 -7.616 -2.687 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.061 -5.708 -0.880 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.587 -7.138 -0.660 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.048 -4.725 -0.319 1.00 0.00 C ATOM 0 H VAL A 137 -4.461 -3.726 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.388 -5.585 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.004 -5.574 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.413 -7.304 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.348 -7.832 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.660 -7.303 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.882 -4.936 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.107 -4.823 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.427 -3.709 -0.431 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.416 -5.863 -3.529 1.00 0.00 N ATOM 2038 CA ARG A 138 -6.503 -6.675 -4.057 1.00 0.00 C ATOM 2039 C ARG A 138 -6.053 -7.477 -5.280 1.00 0.00 C ATOM 2040 O ARG A 138 -6.801 -8.312 -5.790 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.696 -5.785 -4.414 1.00 0.00 C ATOM 2042 CG ARG A 138 -8.371 -5.150 -3.203 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.881 -5.321 -3.250 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.428 -5.001 -4.566 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.539 -3.762 -5.040 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.144 -2.725 -4.311 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.047 -3.557 -6.248 1.00 0.00 N ATOM 0 H ARG A 138 -5.517 -4.862 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.804 -7.384 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -7.361 -4.996 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -8.430 -6.378 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.981 -5.601 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -8.126 -4.089 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -10.138 -6.348 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -10.342 -4.678 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.743 -5.771 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.752 -2.875 -3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.232 -1.778 -4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.353 -4.349 -6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.132 -2.608 -6.611 1.00 0.00 H new ATOM 2061 N ASP A 139 -4.830 -7.224 -5.749 1.00 0.00 N ATOM 2062 CA ASP A 139 -4.297 -7.932 -6.911 1.00 0.00 C ATOM 2063 C ASP A 139 -3.462 -9.141 -6.489 1.00 0.00 C ATOM 2064 O ASP A 139 -2.822 -9.785 -7.321 1.00 0.00 O ATOM 2065 CB ASP A 139 -3.450 -6.986 -7.765 1.00 0.00 C ATOM 2066 CG ASP A 139 -3.697 -7.169 -9.250 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -4.830 -7.543 -9.621 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -2.758 -6.940 -10.042 1.00 0.00 O ATOM 0 H ASP A 139 -4.194 -6.538 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 139 -5.141 -8.290 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -3.670 -5.955 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.395 -7.155 -7.552 1.00 0.00 H new ATOM 2073 N LEU A 140 -3.475 -9.445 -5.195 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.725 -10.576 -4.661 1.00 0.00 C ATOM 2075 C LEU A 140 -3.130 -10.831 -3.215 1.00 0.00 C ATOM 2076 O LEU A 140 -2.311 -10.762 -2.301 1.00 0.00 O ATOM 2077 CB LEU A 140 -1.207 -10.339 -4.777 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.626 -9.108 -4.052 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.670 -8.024 -3.841 1.00 0.00 C ATOM 2080 CD2 LEU A 140 -0.015 -9.510 -2.722 1.00 0.00 C ATOM 0 H LEU A 140 -3.999 -8.921 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.963 -11.461 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.697 -11.225 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.958 -10.256 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 140 0.153 -8.696 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -1.216 -7.177 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -2.056 -7.698 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.487 -8.419 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.389 -8.628 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.781 -9.962 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 140 0.786 -10.230 -2.892 1.00 0.00 H new ATOM 2092 N LEU A 141 -4.414 -11.111 -3.022 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.961 -11.360 -1.695 1.00 0.00 C ATOM 2094 C LEU A 141 -4.559 -12.729 -1.150 1.00 0.00 C ATOM 2095 O LEU A 141 -4.714 -12.990 0.041 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.483 -11.238 -1.723 1.00 0.00 C ATOM 2097 CG LEU A 141 -7.065 -10.240 -0.721 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.364 -10.353 0.624 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.962 -8.822 -1.263 1.00 0.00 C ATOM 0 H LEU A 141 -5.100 -11.171 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.543 -10.607 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.792 -10.946 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.916 -12.220 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.119 -10.478 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.795 -9.634 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.493 -11.361 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.301 -10.145 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.381 -8.124 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.915 -8.576 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.516 -8.749 -2.199 1.00 0.00 H new ATOM 2111 N TRP A 142 -4.060 -13.605 -2.016 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.657 -14.944 -1.591 1.00 0.00 C ATOM 2113 C TRP A 142 -2.656 -14.885 -0.438 1.00 0.00 C ATOM 2114 O TRP A 142 -1.449 -15.005 -0.641 1.00 0.00 O ATOM 2115 CB TRP A 142 -3.069 -15.739 -2.764 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.938 -15.049 -3.466 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -2.019 -13.966 -4.295 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.555 -15.411 -3.410 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.767 -13.629 -4.749 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.148 -14.500 -4.219 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.156 -16.413 -2.750 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.528 -14.563 -4.384 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.527 -16.476 -2.914 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.200 -15.555 -3.725 1.00 0.00 C ATOM 0 H TRP A 142 -3.925 -13.416 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.552 -15.456 -1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.719 -16.704 -2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.861 -15.941 -3.485 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.932 -13.451 -4.555 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.553 -12.856 -5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.356 -17.127 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.050 -13.854 -5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.088 -17.248 -2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.272 -15.629 -3.833 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.181 -14.708 0.774 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.361 -14.638 1.982 1.00 0.00 C ATOM 2137 C LEU A 143 -3.150 -15.162 3.179 1.00 0.00 C ATOM 2138 O LEU A 143 -2.649 -15.968 3.964 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.904 -13.200 2.259 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.083 -12.530 1.151 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -2.002 -11.836 0.161 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.101 -11.531 1.746 1.00 0.00 C ATOM 0 H LEU A 143 -4.182 -14.610 0.945 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.477 -15.257 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.787 -12.590 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.312 -13.198 3.174 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.519 -13.300 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.406 -11.365 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.673 -12.568 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.587 -11.076 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.474 -11.065 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.649 -10.764 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.577 -12.048 2.426 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.389 -14.695 3.310 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.257 -15.111 4.406 1.00 0.00 C ATOM 2156 C GLU A 144 -6.726 -14.976 4.007 1.00 0.00 C ATOM 2157 O GLU A 144 -7.041 -14.743 2.840 1.00 0.00 O ATOM 2158 CB GLU A 144 -4.969 -14.275 5.656 1.00 0.00 C ATOM 2159 CG GLU A 144 -4.063 -14.973 6.658 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.735 -16.161 7.321 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -5.681 -15.944 8.108 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -4.314 -17.306 7.055 1.00 0.00 O ATOM 0 H GLU A 144 -4.815 -14.026 2.668 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.054 -16.158 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.508 -13.334 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -5.912 -14.027 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -3.157 -15.308 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -3.756 -14.260 7.423 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.621 -15.126 4.980 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.054 -15.023 4.720 1.00 0.00 C ATOM 2171 C ASP A 145 -9.409 -13.656 4.138 1.00 0.00 C ATOM 2172 O ASP A 145 -8.876 -12.631 4.564 1.00 0.00 O ATOM 2173 CB ASP A 145 -9.843 -15.263 6.011 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.889 -16.350 5.854 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -10.519 -17.542 5.897 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -12.079 -16.008 5.690 1.00 0.00 O ATOM 0 H ASP A 145 -7.380 -15.319 5.952 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.321 -15.786 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.154 -15.538 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -10.329 -14.336 6.315 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.313 -13.652 3.163 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.744 -12.416 2.519 1.00 0.00 C ATOM 2183 C ASP A 146 -11.989 -11.854 3.199 1.00 0.00 C ATOM 2184 O ASP A 146 -12.762 -12.595 3.805 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.025 -12.661 1.035 1.00 0.00 C ATOM 2186 CG ASP A 146 -9.764 -12.629 0.194 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -8.776 -13.287 0.581 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -9.766 -11.946 -0.852 1.00 0.00 O ATOM 0 H ASP A 146 -10.762 -14.493 2.801 1.00 0.00 H new ATOM 0 HA ASP A 146 -9.940 -11.686 2.614 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.513 -13.628 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.721 -11.905 0.670 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.177 -10.541 3.096 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.328 -9.887 3.705 1.00 0.00 C ATOM 2195 C ALA A 147 -14.581 -10.076 2.855 1.00 0.00 C ATOM 2196 O ALA A 147 -14.504 -10.178 1.631 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.047 -8.407 3.910 1.00 0.00 C ATOM 0 H ALA A 147 -11.548 -9.912 2.597 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.505 -10.350 4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -13.916 -7.931 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.183 -8.288 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.840 -7.939 2.947 1.00 0.00 H new ATOM 2203 N MET A 148 -15.734 -10.123 3.514 1.00 0.00 N ATOM 2204 CA MET A 148 -17.005 -10.300 2.820 1.00 0.00 C ATOM 2205 C MET A 148 -18.170 -10.299 3.807 1.00 0.00 C ATOM 2206 O MET A 148 -19.237 -9.758 3.520 1.00 0.00 O ATOM 2207 CB MET A 148 -17.001 -11.604 2.017 1.00 0.00 C ATOM 2208 CG MET A 148 -16.339 -12.767 2.741 1.00 0.00 C ATOM 2209 SD MET A 148 -17.112 -14.351 2.362 1.00 0.00 S ATOM 2210 CE MET A 148 -15.693 -15.442 2.406 1.00 0.00 C ATOM 0 H MET A 148 -15.815 -10.041 4.527 1.00 0.00 H new ATOM 0 HA MET A 148 -17.132 -9.463 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 148 -18.029 -11.875 1.777 1.00 0.00 H new ATOM 0 HB3 MET A 148 -16.486 -11.436 1.071 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.285 -12.807 2.468 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.383 -12.593 3.816 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.011 -16.462 2.190 1.00 0.00 H new ATOM 0 HE2 MET A 148 -14.966 -15.123 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 148 -15.237 -15.406 3.395 1.00 0.00 H new ATOM 2220 N GLU A 149 -17.955 -10.907 4.968 1.00 0.00 N ATOM 2221 CA GLU A 149 -18.987 -10.976 5.997 1.00 0.00 C ATOM 2222 C GLU A 149 -18.428 -10.564 7.355 1.00 0.00 C ATOM 2223 O GLU A 149 -18.873 -11.051 8.394 1.00 0.00 O ATOM 2224 CB GLU A 149 -19.564 -12.390 6.078 1.00 0.00 C ATOM 2225 CG GLU A 149 -21.019 -12.429 6.517 1.00 0.00 C ATOM 2226 CD GLU A 149 -21.304 -13.561 7.486 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -20.948 -14.717 7.171 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -21.882 -13.292 8.559 1.00 0.00 O ATOM 0 H GLU A 149 -17.076 -11.359 5.221 1.00 0.00 H new ATOM 0 HA GLU A 149 -19.783 -10.282 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.475 -12.866 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -18.967 -12.978 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -21.279 -11.480 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -21.657 -12.537 5.640 1.00 0.00 H new ATOM 2235 N GLN A 150 -17.450 -9.664 7.338 1.00 0.00 N ATOM 2236 CA GLN A 150 -16.830 -9.187 8.569 1.00 0.00 C ATOM 2237 C GLN A 150 -17.594 -7.993 9.135 1.00 0.00 C ATOM 2238 O GLN A 150 -17.329 -7.619 10.297 1.00 0.00 O ATOM 2239 CB GLN A 150 -15.373 -8.801 8.315 1.00 0.00 C ATOM 2240 CG GLN A 150 -14.435 -9.993 8.219 1.00 0.00 C ATOM 2241 CD GLN A 150 -13.065 -9.705 8.801 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -12.449 -8.683 8.496 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -12.579 -10.608 9.645 1.00 0.00 N ATOM 2244 OXT GLN A 150 -18.448 -7.442 8.410 1.00 0.00 O ATOM 0 H GLN A 150 -17.070 -9.251 6.486 1.00 0.00 H new ATOM 0 HA GLN A 150 -16.862 -9.996 9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -15.314 -8.228 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -15.034 -8.146 9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -14.877 -10.841 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -14.328 -10.283 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -13.123 -11.441 9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -11.661 -10.469 10.068 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -15.084 -2.010 2.113 1.00 0.00 ZN