USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 LYS NZ :NH3+ -136:sc= 0.896 (180deg=-0.175) USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 0.549 USER MOD Set 2.1: A 41 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 75 CYS SG : rot -65:sc= -1.12 USER MOD Set 3.1: A 37 ASN :FLIP amide:sc= 1.68 F(o=1.1,f=2.7) USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 1.03 USER MOD Set 4.1: A 33 ASN : amide:sc= 0 X(o=0.7,f=0.59) USER MOD Set 4.2: A 34 ASN : amide:sc= 0.702 X(o=0.7,f=0.22) USER MOD Set 5.1: A 27 THR OG1 : rot 180:sc= -0.299 USER MOD Set 5.2: A 40 HIS : no HD1:sc= 0.461 K(o=0.16,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.29 (180deg=1) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.9!) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 1.32 (180deg=-1.06!) USER MOD Single : A 8 GLN : amide:sc=-0.00498 K(o=-0.005,f=-0.88) USER MOD Single : A 11 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= 1.22 (180deg=-0.429) USER MOD Single : A 14 TYR OH : rot -159:sc= 1.29 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 28 TYR OH : rot -53:sc= 0.313 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00682) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= 1.24 (180deg=0.828) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.113 X(o=0.11,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.33) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.57) USER MOD Single : A 76 SER OG : rot 180:sc= 0.122 USER MOD Single : A 80 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.2!) USER MOD Single : A 81 MET CE :methyl -160:sc= -0.233 (180deg=-0.92) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 0.974 (180deg=0.779) USER MOD Single : A 87 SER OG : rot 180:sc= 0.061 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.163 F(o=-1.2,f=-0.16) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00605 X(o=-0.0061,f=-0.077) USER MOD Single : A 103 ACO O2B : rot -99:sc= 0.503 USER MOD Single : A 103 ACO OAP : rot -160:sc= -0.209 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.406 3.062 -4.037 1.00 6.95 N ATOM 2 CA MET A 1 25.056 2.896 -2.714 1.00 6.01 C ATOM 3 C MET A 1 24.191 2.025 -1.815 1.00 5.28 C ATOM 4 O MET A 1 22.990 1.899 -2.041 1.00 5.28 O ATOM 5 CB MET A 1 25.268 4.261 -2.047 1.00 5.80 C ATOM 6 CG MET A 1 26.191 5.194 -2.814 1.00 6.10 C ATOM 7 SD MET A 1 26.378 6.796 -2.005 1.00 6.20 S ATOM 8 CE MET A 1 27.284 7.710 -3.253 1.00 6.73 C ATOM 0 H1 MET A 1 25.133 3.082 -4.781 1.00 6.95 H new ATOM 0 H2 MET A 1 23.758 2.267 -4.208 1.00 6.95 H new ATOM 0 H3 MET A 1 23.871 3.954 -4.052 1.00 6.95 H new ATOM 0 HA MET A 1 26.024 2.418 -2.863 1.00 6.01 H new ATOM 0 HB2 MET A 1 24.300 4.747 -1.924 1.00 5.80 H new ATOM 0 HB3 MET A 1 25.676 4.105 -1.048 1.00 5.80 H new ATOM 0 HG2 MET A 1 27.170 4.727 -2.919 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.799 5.342 -3.820 1.00 6.10 H new ATOM 0 HE1 MET A 1 27.474 8.722 -2.896 1.00 6.73 H new ATOM 0 HE2 MET A 1 28.232 7.211 -3.452 1.00 6.73 H new ATOM 0 HE3 MET A 1 26.697 7.753 -4.170 1.00 6.73 H new ATOM 20 N SER A 2 24.801 1.423 -0.803 1.00 5.03 N ATOM 21 CA SER A 2 24.074 0.575 0.126 1.00 4.69 C ATOM 22 C SER A 2 23.279 1.430 1.107 1.00 3.60 C ATOM 23 O SER A 2 23.777 1.802 2.174 1.00 3.51 O ATOM 24 CB SER A 2 25.042 -0.336 0.881 1.00 5.46 C ATOM 25 OG SER A 2 25.928 -0.995 -0.011 1.00 6.47 O ATOM 0 H SER A 2 25.798 1.508 -0.606 1.00 5.03 H new ATOM 0 HA SER A 2 23.379 -0.047 -0.439 1.00 4.69 H new ATOM 0 HB2 SER A 2 25.615 0.252 1.598 1.00 5.46 H new ATOM 0 HB3 SER A 2 24.480 -1.075 1.452 1.00 5.46 H new ATOM 0 HG SER A 2 26.537 -1.570 0.498 1.00 6.47 H new ATOM 31 N ASN A 3 22.053 1.761 0.725 1.00 3.10 N ATOM 32 CA ASN A 3 21.182 2.581 1.554 1.00 2.27 C ATOM 33 C ASN A 3 19.723 2.215 1.307 1.00 2.15 C ATOM 34 O ASN A 3 19.397 1.577 0.304 1.00 2.83 O ATOM 35 CB ASN A 3 21.413 4.069 1.254 1.00 2.40 C ATOM 36 CG ASN A 3 20.756 4.985 2.270 1.00 2.63 C ATOM 37 OD1 ASN A 3 20.570 4.617 3.429 1.00 2.70 O ATOM 38 ND2 ASN A 3 20.411 6.190 1.847 1.00 3.35 N ATOM 0 H ASN A 3 21.637 1.471 -0.160 1.00 3.10 H new ATOM 0 HA ASN A 3 21.417 2.394 2.602 1.00 2.27 H new ATOM 0 HB2 ASN A 3 22.484 4.268 1.232 1.00 2.40 H new ATOM 0 HB3 ASN A 3 21.026 4.299 0.261 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.974 6.851 2.490 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.582 6.459 0.878 1.00 3.35 H new ATOM 45 N LEU A 4 18.855 2.607 2.229 1.00 1.64 N ATOM 46 CA LEU A 4 17.430 2.331 2.113 1.00 1.54 C ATOM 47 C LEU A 4 16.628 3.598 2.421 1.00 1.65 C ATOM 48 O LEU A 4 16.572 4.509 1.591 1.00 2.49 O ATOM 49 CB LEU A 4 17.013 1.169 3.037 1.00 1.47 C ATOM 50 CG LEU A 4 17.631 1.165 4.440 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.631 0.637 5.457 1.00 2.06 C ATOM 52 CD2 LEU A 4 18.901 0.329 4.465 1.00 2.10 C ATOM 0 H LEU A 4 19.115 3.121 3.071 1.00 1.64 H new ATOM 0 HA LEU A 4 17.216 2.024 1.089 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.928 1.186 3.141 1.00 1.47 H new ATOM 0 HB3 LEU A 4 17.272 0.231 2.546 1.00 1.47 H new ATOM 0 HG LEU A 4 17.890 2.191 4.704 1.00 1.63 H new ATOM 0 HD11 LEU A 4 17.084 0.640 6.448 1.00 2.06 H new ATOM 0 HD12 LEU A 4 15.746 1.273 5.461 1.00 2.06 H new ATOM 0 HD13 LEU A 4 16.345 -0.381 5.192 1.00 2.06 H new ATOM 0 HD21 LEU A 4 19.324 0.339 5.470 1.00 2.10 H new ATOM 0 HD22 LEU A 4 18.667 -0.697 4.180 1.00 2.10 H new ATOM 0 HD23 LEU A 4 19.624 0.744 3.763 1.00 2.10 H new ATOM 64 N GLU A 5 16.032 3.649 3.612 1.00 1.13 N ATOM 65 CA GLU A 5 15.239 4.796 4.065 1.00 1.19 C ATOM 66 C GLU A 5 13.947 4.947 3.262 1.00 1.05 C ATOM 67 O GLU A 5 13.916 4.732 2.050 1.00 1.01 O ATOM 68 CB GLU A 5 16.056 6.091 3.995 1.00 1.48 C ATOM 69 CG GLU A 5 17.365 6.024 4.766 1.00 1.61 C ATOM 70 CD GLU A 5 18.376 7.048 4.292 1.00 2.22 C ATOM 71 OE1 GLU A 5 18.232 7.559 3.163 1.00 2.91 O ATOM 72 OE2 GLU A 5 19.324 7.347 5.047 1.00 2.57 O ATOM 0 H GLU A 5 16.085 2.893 4.295 1.00 1.13 H new ATOM 0 HA GLU A 5 14.969 4.606 5.104 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.270 6.321 2.951 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.455 6.912 4.386 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.166 6.180 5.826 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.791 5.026 4.665 1.00 1.61 H new ATOM 79 N ILE A 6 12.880 5.315 3.951 1.00 1.00 N ATOM 80 CA ILE A 6 11.589 5.506 3.307 1.00 0.88 C ATOM 81 C ILE A 6 11.557 6.847 2.590 1.00 0.86 C ATOM 82 O ILE A 6 11.301 7.889 3.200 1.00 0.90 O ATOM 83 CB ILE A 6 10.423 5.439 4.320 1.00 0.86 C ATOM 84 CG1 ILE A 6 10.547 4.190 5.196 1.00 0.94 C ATOM 85 CG2 ILE A 6 9.084 5.447 3.590 1.00 0.79 C ATOM 86 CD1 ILE A 6 9.484 4.084 6.268 1.00 0.92 C ATOM 0 H ILE A 6 12.881 5.488 4.956 1.00 1.00 H new ATOM 0 HA ILE A 6 11.461 4.696 2.589 1.00 0.88 H new ATOM 0 HB ILE A 6 10.472 6.318 4.963 1.00 0.86 H new ATOM 0 HG12 ILE A 6 10.497 3.306 4.560 1.00 0.94 H new ATOM 0 HG13 ILE A 6 11.529 4.187 5.670 1.00 0.94 H new ATOM 0 HG21 ILE A 6 8.273 5.399 4.317 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.994 6.362 3.005 1.00 0.79 H new ATOM 0 HG23 ILE A 6 9.027 4.585 2.925 1.00 0.79 H new ATOM 0 HD11 ILE A 6 9.640 3.173 6.846 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.546 4.948 6.929 1.00 0.92 H new ATOM 0 HD13 ILE A 6 8.499 4.054 5.802 1.00 0.92 H new ATOM 98 N LYS A 7 11.845 6.820 1.302 1.00 0.86 N ATOM 99 CA LYS A 7 11.851 8.027 0.496 1.00 0.89 C ATOM 100 C LYS A 7 10.456 8.267 -0.069 1.00 0.79 C ATOM 101 O LYS A 7 9.899 7.411 -0.756 1.00 0.74 O ATOM 102 CB LYS A 7 12.873 7.906 -0.642 1.00 0.99 C ATOM 103 CG LYS A 7 14.238 7.384 -0.211 1.00 1.10 C ATOM 104 CD LYS A 7 15.010 8.408 0.612 1.00 1.61 C ATOM 105 CE LYS A 7 16.493 8.402 0.265 1.00 1.77 C ATOM 106 NZ LYS A 7 17.188 7.175 0.749 1.00 2.23 N ATOM 0 H LYS A 7 12.079 5.970 0.789 1.00 0.86 H new ATOM 0 HA LYS A 7 12.136 8.873 1.122 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.469 7.243 -1.407 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.001 8.885 -1.104 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.109 6.473 0.373 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.819 7.117 -1.094 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.599 9.402 0.436 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.883 8.193 1.673 1.00 1.61 H new ATOM 0 HE2 LYS A 7 16.610 8.479 -0.816 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.968 9.281 0.701 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.926 6.903 0.069 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.623 7.365 1.674 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.500 6.400 0.842 1.00 2.23 H new ATOM 120 N GLN A 8 9.888 9.420 0.239 1.00 0.81 N ATOM 121 CA GLN A 8 8.553 9.759 -0.233 1.00 0.78 C ATOM 122 C GLN A 8 8.630 10.645 -1.467 1.00 0.90 C ATOM 123 O GLN A 8 9.656 11.280 -1.723 1.00 1.15 O ATOM 124 CB GLN A 8 7.758 10.462 0.869 1.00 0.93 C ATOM 125 CG GLN A 8 8.371 11.775 1.333 1.00 1.29 C ATOM 126 CD GLN A 8 7.463 12.537 2.280 1.00 1.76 C ATOM 127 OE1 GLN A 8 6.237 12.463 2.182 1.00 2.52 O ATOM 128 NE2 GLN A 8 8.059 13.272 3.205 1.00 1.94 N ATOM 0 H GLN A 8 10.329 10.138 0.814 1.00 0.81 H new ATOM 0 HA GLN A 8 8.041 8.834 -0.500 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.747 10.652 0.509 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.671 9.791 1.724 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.321 11.574 1.828 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.590 12.397 0.465 1.00 1.29 H new ATOM 0 HE21 GLN A 8 9.077 13.306 3.252 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.500 13.805 3.871 1.00 1.94 H new ATOM 137 N GLY A 9 7.552 10.680 -2.230 1.00 0.87 N ATOM 138 CA GLY A 9 7.515 11.497 -3.419 1.00 1.04 C ATOM 139 C GLY A 9 6.502 11.006 -4.423 1.00 0.71 C ATOM 140 O GLY A 9 6.225 9.811 -4.478 1.00 0.83 O ATOM 0 H GLY A 9 6.698 10.154 -2.045 1.00 0.87 H new ATOM 0 HA2 GLY A 9 7.280 12.525 -3.143 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.503 11.508 -3.880 1.00 1.04 H new ATOM 144 N GLU A 10 5.956 11.942 -5.206 1.00 1.04 N ATOM 145 CA GLU A 10 4.960 11.666 -6.257 1.00 0.82 C ATOM 146 C GLU A 10 3.885 10.660 -5.824 1.00 0.70 C ATOM 147 O GLU A 10 3.506 9.773 -6.601 1.00 0.72 O ATOM 148 CB GLU A 10 5.649 11.196 -7.550 1.00 0.79 C ATOM 149 CG GLU A 10 6.469 9.926 -7.397 1.00 1.82 C ATOM 150 CD GLU A 10 7.095 9.475 -8.689 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.143 10.032 -9.068 1.00 3.19 O ATOM 152 OE2 GLU A 10 6.554 8.545 -9.325 1.00 2.65 O ATOM 0 H GLU A 10 6.195 12.931 -5.129 1.00 1.04 H new ATOM 0 HA GLU A 10 4.445 12.608 -6.445 1.00 0.82 H new ATOM 0 HB2 GLU A 10 4.889 11.034 -8.314 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.299 11.993 -7.911 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.253 10.092 -6.658 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.830 9.131 -7.011 1.00 1.82 H new ATOM 159 N ASN A 11 3.378 10.828 -4.601 1.00 0.63 N ATOM 160 CA ASN A 11 2.341 9.948 -4.049 1.00 0.59 C ATOM 161 C ASN A 11 2.817 8.501 -4.022 1.00 0.47 C ATOM 162 O ASN A 11 2.060 7.577 -4.323 1.00 0.44 O ATOM 163 CB ASN A 11 1.051 10.048 -4.868 1.00 0.71 C ATOM 164 CG ASN A 11 0.176 11.217 -4.464 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.186 11.659 -3.314 1.00 1.10 O ATOM 166 ND2 ASN A 11 -0.597 11.724 -5.414 1.00 1.38 N ATOM 0 H ASN A 11 3.671 11.572 -3.968 1.00 0.63 H new ATOM 0 HA ASN A 11 2.139 10.274 -3.028 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.305 10.141 -5.924 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.485 9.123 -4.756 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -1.213 12.509 -5.205 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.575 11.329 -6.354 1.00 1.38 H new ATOM 173 N LYS A 12 4.069 8.308 -3.650 1.00 0.45 N ATOM 174 CA LYS A 12 4.652 6.982 -3.607 1.00 0.43 C ATOM 175 C LYS A 12 5.746 6.891 -2.548 1.00 0.46 C ATOM 176 O LYS A 12 6.547 7.810 -2.380 1.00 0.55 O ATOM 177 CB LYS A 12 5.218 6.624 -4.992 1.00 0.50 C ATOM 178 CG LYS A 12 6.392 5.653 -4.961 1.00 0.65 C ATOM 179 CD LYS A 12 6.855 5.290 -6.364 1.00 0.59 C ATOM 180 CE LYS A 12 7.709 6.388 -6.972 1.00 0.73 C ATOM 181 NZ LYS A 12 7.795 6.269 -8.452 1.00 0.94 N ATOM 0 H LYS A 12 4.703 9.057 -3.372 1.00 0.45 H new ATOM 0 HA LYS A 12 3.872 6.270 -3.338 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.420 6.191 -5.596 1.00 0.50 H new ATOM 0 HB3 LYS A 12 5.534 7.541 -5.490 1.00 0.50 H new ATOM 0 HG2 LYS A 12 7.219 6.098 -4.408 1.00 0.65 H new ATOM 0 HG3 LYS A 12 6.102 4.748 -4.427 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.425 4.361 -6.331 1.00 0.59 H new ATOM 0 HD3 LYS A 12 5.988 5.109 -6.999 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.291 7.360 -6.710 1.00 0.73 H new ATOM 0 HE3 LYS A 12 8.711 6.346 -6.546 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 8.775 6.436 -8.757 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 7.501 5.314 -8.741 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.170 6.973 -8.894 1.00 0.94 H new ATOM 195 N PHE A 13 5.760 5.781 -1.828 1.00 0.46 N ATOM 196 CA PHE A 13 6.771 5.534 -0.814 1.00 0.50 C ATOM 197 C PHE A 13 7.731 4.481 -1.338 1.00 0.50 C ATOM 198 O PHE A 13 7.344 3.327 -1.534 1.00 0.46 O ATOM 199 CB PHE A 13 6.141 5.058 0.500 1.00 0.51 C ATOM 200 CG PHE A 13 5.424 6.130 1.264 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.104 7.242 1.732 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.070 6.018 1.525 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.443 8.224 2.444 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.405 6.995 2.237 1.00 0.59 C ATOM 205 CZ PHE A 13 4.091 8.100 2.697 1.00 0.65 C ATOM 0 H PHE A 13 5.076 5.031 -1.929 1.00 0.46 H new ATOM 0 HA PHE A 13 7.300 6.464 -0.607 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.440 4.252 0.282 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.923 4.638 1.133 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.162 7.342 1.538 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.527 5.156 1.167 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.983 9.088 2.802 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.348 6.895 2.434 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.572 8.866 3.254 1.00 0.65 H new ATOM 215 N TYR A 14 8.963 4.875 -1.601 1.00 0.60 N ATOM 216 CA TYR A 14 9.945 3.941 -2.119 1.00 0.64 C ATOM 217 C TYR A 14 11.192 3.908 -1.248 1.00 0.69 C ATOM 218 O TYR A 14 11.668 4.936 -0.769 1.00 0.75 O ATOM 219 CB TYR A 14 10.304 4.270 -3.578 1.00 0.67 C ATOM 220 CG TYR A 14 10.901 5.647 -3.789 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.086 6.762 -3.949 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.277 5.830 -3.834 1.00 0.93 C ATOM 223 CE1 TYR A 14 10.625 8.019 -4.146 1.00 0.92 C ATOM 224 CE2 TYR A 14 12.824 7.084 -4.031 1.00 1.04 C ATOM 225 CZ TYR A 14 11.995 8.174 -4.185 1.00 1.03 C ATOM 226 OH TYR A 14 12.539 9.425 -4.380 1.00 1.16 O ATOM 0 H TYR A 14 9.305 5.826 -1.466 1.00 0.60 H new ATOM 0 HA TYR A 14 9.498 2.947 -2.096 1.00 0.64 H new ATOM 0 HB2 TYR A 14 11.010 3.523 -3.941 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.405 4.182 -4.188 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.013 6.644 -3.919 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.930 4.979 -3.713 1.00 0.93 H new ATOM 0 HE1 TYR A 14 9.978 8.875 -4.269 1.00 0.92 H new ATOM 0 HE2 TYR A 14 13.896 7.209 -4.064 1.00 1.04 H new ATOM 0 HH TYR A 14 13.457 9.335 -4.712 1.00 1.16 H new ATOM 236 N ILE A 15 11.697 2.713 -1.030 1.00 0.71 N ATOM 237 CA ILE A 15 12.888 2.517 -0.234 1.00 0.78 C ATOM 238 C ILE A 15 14.055 2.147 -1.139 1.00 0.92 C ATOM 239 O ILE A 15 13.987 1.165 -1.888 1.00 0.92 O ATOM 240 CB ILE A 15 12.671 1.427 0.842 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.865 1.997 2.010 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.999 0.874 1.335 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.617 1.002 3.121 1.00 0.71 C ATOM 0 H ILE A 15 11.294 1.852 -1.399 1.00 0.71 H new ATOM 0 HA ILE A 15 13.115 3.450 0.282 1.00 0.78 H new ATOM 0 HB ILE A 15 12.112 0.607 0.391 1.00 0.73 H new ATOM 0 HG12 ILE A 15 12.393 2.859 2.418 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.907 2.358 1.637 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.817 0.110 2.091 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.543 0.435 0.499 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.590 1.680 1.770 1.00 0.80 H new ATOM 0 HD11 ILE A 15 11.040 1.478 3.914 1.00 0.71 H new ATOM 0 HD12 ILE A 15 11.061 0.150 2.729 1.00 0.71 H new ATOM 0 HD13 ILE A 15 12.571 0.659 3.522 1.00 0.71 H new ATOM 255 N GLY A 16 15.105 2.953 -1.086 1.00 1.09 N ATOM 256 CA GLY A 16 16.273 2.708 -1.900 1.00 1.26 C ATOM 257 C GLY A 16 17.213 3.892 -1.905 1.00 1.42 C ATOM 258 O GLY A 16 16.900 4.941 -1.336 1.00 1.52 O ATOM 0 H GLY A 16 15.167 3.777 -0.489 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.798 1.829 -1.527 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.964 2.485 -2.921 1.00 1.26 H new ATOM 262 N ASP A 17 18.359 3.730 -2.547 1.00 1.55 N ATOM 263 CA ASP A 17 19.354 4.793 -2.618 1.00 1.74 C ATOM 264 C ASP A 17 19.027 5.772 -3.743 1.00 1.66 C ATOM 265 O ASP A 17 19.356 6.957 -3.671 1.00 1.78 O ATOM 266 CB ASP A 17 20.749 4.194 -2.820 1.00 1.95 C ATOM 267 CG ASP A 17 21.826 5.246 -2.991 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.865 6.203 -2.185 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.641 5.119 -3.933 1.00 2.14 O ATOM 0 H ASP A 17 18.625 2.871 -3.028 1.00 1.55 H new ATOM 0 HA ASP A 17 19.338 5.343 -1.677 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.996 3.565 -1.965 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.737 3.548 -3.698 1.00 1.95 H new ATOM 274 N ASP A 18 18.361 5.273 -4.772 1.00 1.53 N ATOM 275 CA ASP A 18 17.982 6.095 -5.917 1.00 1.48 C ATOM 276 C ASP A 18 16.611 5.667 -6.431 1.00 1.37 C ATOM 277 O ASP A 18 16.174 4.544 -6.176 1.00 1.29 O ATOM 278 CB ASP A 18 19.034 5.979 -7.029 1.00 1.53 C ATOM 279 CG ASP A 18 18.741 6.878 -8.213 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.151 8.055 -8.191 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.093 6.412 -9.176 1.00 1.41 O ATOM 0 H ASP A 18 18.069 4.298 -4.840 1.00 1.53 H new ATOM 0 HA ASP A 18 17.930 7.138 -5.603 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.014 6.229 -6.623 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.084 4.944 -7.368 1.00 1.53 H new ATOM 286 N GLU A 19 15.937 6.558 -7.149 1.00 1.41 N ATOM 287 CA GLU A 19 14.614 6.272 -7.696 1.00 1.38 C ATOM 288 C GLU A 19 14.658 5.097 -8.672 1.00 1.34 C ATOM 289 O GLU A 19 13.701 4.331 -8.769 1.00 1.34 O ATOM 290 CB GLU A 19 14.047 7.503 -8.403 1.00 1.49 C ATOM 291 CG GLU A 19 13.665 8.633 -7.462 1.00 1.76 C ATOM 292 CD GLU A 19 14.865 9.341 -6.865 1.00 2.08 C ATOM 293 OE1 GLU A 19 15.743 9.790 -7.635 1.00 2.43 O ATOM 294 OE2 GLU A 19 14.939 9.448 -5.623 1.00 2.72 O ATOM 0 H GLU A 19 16.287 7.491 -7.367 1.00 1.41 H new ATOM 0 HA GLU A 19 13.966 6.005 -6.861 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.784 7.871 -9.117 1.00 1.49 H new ATOM 0 HB3 GLU A 19 13.168 7.208 -8.976 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.055 9.357 -8.002 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.048 8.234 -6.657 1.00 1.76 H new ATOM 301 N ASN A 20 15.768 4.954 -9.388 1.00 1.37 N ATOM 302 CA ASN A 20 15.925 3.861 -10.347 1.00 1.39 C ATOM 303 C ASN A 20 16.580 2.657 -9.681 1.00 1.40 C ATOM 304 O ASN A 20 16.981 1.700 -10.345 1.00 1.52 O ATOM 305 CB ASN A 20 16.768 4.299 -11.548 1.00 1.48 C ATOM 306 CG ASN A 20 16.010 5.188 -12.514 1.00 2.08 C ATOM 307 OD1 ASN A 20 16.067 6.416 -12.425 1.00 2.92 O ATOM 308 ND2 ASN A 20 15.300 4.575 -13.446 1.00 2.15 N ATOM 0 H ASN A 20 16.572 5.579 -9.324 1.00 1.37 H new ATOM 0 HA ASN A 20 14.931 3.584 -10.698 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.650 4.830 -11.191 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.121 3.415 -12.078 1.00 1.48 H new ATOM 0 HD21 ASN A 20 14.772 5.121 -14.127 1.00 2.15 H new ATOM 0 HD22 ASN A 20 15.280 3.556 -13.484 1.00 2.15 H new ATOM 315 N ASN A 21 16.688 2.714 -8.361 1.00 1.36 N ATOM 316 CA ASN A 21 17.295 1.641 -7.586 1.00 1.38 C ATOM 317 C ASN A 21 16.453 1.365 -6.349 1.00 1.25 C ATOM 318 O ASN A 21 16.979 1.075 -5.272 1.00 1.23 O ATOM 319 CB ASN A 21 18.722 2.017 -7.169 1.00 1.54 C ATOM 320 CG ASN A 21 19.710 1.968 -8.322 1.00 1.92 C ATOM 321 OD1 ASN A 21 19.906 3.096 -8.986 1.00 2.21 O flip ATOM 322 ND2 ASN A 21 20.302 0.925 -8.604 1.00 2.45 N flip ATOM 0 H ASN A 21 16.360 3.500 -7.800 1.00 1.36 H new ATOM 0 HA ASN A 21 17.339 0.745 -8.205 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.718 3.021 -6.744 1.00 1.54 H new ATOM 0 HB3 ASN A 21 19.055 1.339 -6.383 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.123 0.076 -8.068 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.971 0.910 -9.374 1.00 2.45 H new ATOM 329 N ALA A 22 15.142 1.468 -6.510 1.00 1.19 N ATOM 330 CA ALA A 22 14.218 1.241 -5.408 1.00 1.09 C ATOM 331 C ALA A 22 14.064 -0.249 -5.134 1.00 1.06 C ATOM 332 O ALA A 22 13.791 -1.031 -6.045 1.00 1.14 O ATOM 333 CB ALA A 22 12.865 1.871 -5.706 1.00 1.04 C ATOM 0 H ALA A 22 14.693 1.708 -7.394 1.00 1.19 H new ATOM 0 HA ALA A 22 14.629 1.713 -4.515 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.188 1.691 -4.871 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.987 2.945 -5.849 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.450 1.429 -6.612 1.00 1.04 H new ATOM 339 N LEU A 23 14.246 -0.636 -3.881 1.00 0.99 N ATOM 340 CA LEU A 23 14.124 -2.031 -3.485 1.00 0.99 C ATOM 341 C LEU A 23 12.667 -2.357 -3.187 1.00 0.87 C ATOM 342 O LEU A 23 12.248 -3.516 -3.235 1.00 0.95 O ATOM 343 CB LEU A 23 14.988 -2.308 -2.250 1.00 1.05 C ATOM 344 CG LEU A 23 16.474 -1.967 -2.405 1.00 1.25 C ATOM 345 CD1 LEU A 23 17.178 -2.024 -1.060 1.00 1.39 C ATOM 346 CD2 LEU A 23 17.140 -2.911 -3.392 1.00 1.37 C ATOM 0 H LEU A 23 14.480 -0.001 -3.118 1.00 0.99 H new ATOM 0 HA LEU A 23 14.471 -2.663 -4.303 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.587 -1.740 -1.411 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.899 -3.363 -1.993 1.00 1.05 H new ATOM 0 HG LEU A 23 16.552 -0.952 -2.793 1.00 1.25 H new ATOM 0 HD11 LEU A 23 18.232 -1.779 -1.190 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.720 -1.307 -0.379 1.00 1.39 H new ATOM 0 HD13 LEU A 23 17.088 -3.028 -0.644 1.00 1.39 H new ATOM 0 HD21 LEU A 23 18.194 -2.652 -3.488 1.00 1.37 H new ATOM 0 HD22 LEU A 23 17.049 -3.936 -3.033 1.00 1.37 H new ATOM 0 HD23 LEU A 23 16.655 -2.823 -4.364 1.00 1.37 H new ATOM 358 N ALA A 24 11.901 -1.322 -2.876 1.00 0.77 N ATOM 359 CA ALA A 24 10.488 -1.481 -2.569 1.00 0.66 C ATOM 360 C ALA A 24 9.746 -0.175 -2.786 1.00 0.60 C ATOM 361 O ALA A 24 10.236 0.883 -2.400 1.00 0.67 O ATOM 362 CB ALA A 24 10.319 -1.949 -1.135 1.00 0.71 C ATOM 0 H ALA A 24 12.236 -0.360 -2.830 1.00 0.77 H new ATOM 0 HA ALA A 24 10.067 -2.231 -3.239 1.00 0.66 H new ATOM 0 HB1 ALA A 24 9.258 -2.066 -0.913 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.825 -2.905 -1.002 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.752 -1.212 -0.458 1.00 0.71 H new ATOM 368 N GLU A 25 8.581 -0.242 -3.412 1.00 0.54 N ATOM 369 CA GLU A 25 7.786 0.952 -3.660 1.00 0.52 C ATOM 370 C GLU A 25 6.291 0.646 -3.659 1.00 0.43 C ATOM 371 O GLU A 25 5.847 -0.390 -4.163 1.00 0.45 O ATOM 372 CB GLU A 25 8.183 1.602 -4.993 1.00 0.65 C ATOM 373 CG GLU A 25 7.771 0.802 -6.222 1.00 0.84 C ATOM 374 CD GLU A 25 7.376 1.680 -7.390 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.256 2.052 -8.191 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.176 1.999 -7.521 1.00 1.02 O ATOM 0 H GLU A 25 8.166 -1.107 -3.757 1.00 0.54 H new ATOM 0 HA GLU A 25 7.990 1.649 -2.847 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.733 2.593 -5.050 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.264 1.742 -5.009 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.596 0.156 -6.522 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.935 0.152 -5.963 1.00 0.84 H new ATOM 383 N ILE A 26 5.524 1.546 -3.067 1.00 0.40 N ATOM 384 CA ILE A 26 4.077 1.420 -3.020 1.00 0.33 C ATOM 385 C ILE A 26 3.451 2.690 -3.589 1.00 0.33 C ATOM 386 O ILE A 26 3.843 3.802 -3.222 1.00 0.38 O ATOM 387 CB ILE A 26 3.556 1.160 -1.582 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.024 1.125 -1.568 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.080 2.211 -0.609 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.432 0.763 -0.225 1.00 0.34 C ATOM 0 H ILE A 26 5.885 2.382 -2.607 1.00 0.40 H new ATOM 0 HA ILE A 26 3.790 0.556 -3.620 1.00 0.33 H new ATOM 0 HB ILE A 26 3.929 0.189 -1.256 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.645 2.102 -1.870 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.680 0.406 -2.311 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.699 2.004 0.391 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.170 2.183 -0.595 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.747 3.199 -0.927 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.344 0.759 -0.296 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.780 -0.227 0.071 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.744 1.495 0.520 1.00 0.34 H new ATOM 402 N THR A 27 2.504 2.534 -4.499 1.00 0.33 N ATOM 403 CA THR A 27 1.870 3.683 -5.114 1.00 0.35 C ATOM 404 C THR A 27 0.425 3.834 -4.660 1.00 0.37 C ATOM 405 O THR A 27 -0.338 2.866 -4.627 1.00 0.41 O ATOM 406 CB THR A 27 1.922 3.598 -6.652 1.00 0.40 C ATOM 407 OG1 THR A 27 1.515 2.293 -7.096 1.00 0.60 O ATOM 408 CG2 THR A 27 3.324 3.891 -7.168 1.00 0.51 C ATOM 0 H THR A 27 2.161 1.630 -4.825 1.00 0.33 H new ATOM 0 HA THR A 27 2.430 4.561 -4.791 1.00 0.35 H new ATOM 0 HB THR A 27 1.237 4.347 -7.049 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.552 2.254 -8.075 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.333 3.824 -8.256 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.621 4.894 -6.864 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.023 3.164 -6.754 1.00 0.51 H new ATOM 416 N TYR A 28 0.062 5.054 -4.311 1.00 0.39 N ATOM 417 CA TYR A 28 -1.282 5.365 -3.858 1.00 0.45 C ATOM 418 C TYR A 28 -1.728 6.689 -4.463 1.00 0.48 C ATOM 419 O TYR A 28 -1.030 7.696 -4.362 1.00 0.68 O ATOM 420 CB TYR A 28 -1.350 5.409 -2.322 1.00 0.48 C ATOM 421 CG TYR A 28 -0.440 6.440 -1.680 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.929 6.219 -1.572 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.952 7.633 -1.187 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.759 7.158 -0.991 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.128 8.578 -0.606 1.00 0.66 C ATOM 426 CZ TYR A 28 1.227 8.337 -0.510 1.00 0.65 C ATOM 427 OH TYR A 28 2.050 9.278 0.070 1.00 0.76 O ATOM 0 H TYR A 28 0.690 5.858 -4.333 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.959 4.578 -4.191 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.378 5.614 -2.022 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.094 4.424 -1.931 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.350 5.298 -1.948 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -2.012 7.826 -1.259 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.820 6.970 -0.914 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -0.543 9.501 -0.229 1.00 0.66 H new ATOM 0 HH TYR A 28 2.584 8.856 0.775 1.00 0.76 H new ATOM 437 N ARG A 29 -2.876 6.686 -5.112 1.00 0.42 N ATOM 438 CA ARG A 29 -3.377 7.894 -5.741 1.00 0.48 C ATOM 439 C ARG A 29 -4.651 8.390 -5.079 1.00 0.48 C ATOM 440 O ARG A 29 -5.496 7.600 -4.658 1.00 0.49 O ATOM 441 CB ARG A 29 -3.648 7.653 -7.221 1.00 0.56 C ATOM 442 CG ARG A 29 -2.394 7.535 -8.065 1.00 0.93 C ATOM 443 CD ARG A 29 -2.741 7.278 -9.520 1.00 1.22 C ATOM 444 NE ARG A 29 -3.404 5.987 -9.702 1.00 1.83 N ATOM 445 CZ ARG A 29 -4.645 5.834 -10.165 1.00 2.81 C ATOM 446 NH1 ARG A 29 -5.388 6.896 -10.472 1.00 3.23 N ATOM 447 NH2 ARG A 29 -5.147 4.614 -10.311 1.00 3.63 N ATOM 0 H ARG A 29 -3.476 5.868 -5.218 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.607 8.656 -5.624 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -4.234 6.740 -7.329 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.258 8.470 -7.606 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.809 8.451 -7.983 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -1.772 6.724 -7.687 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -3.390 8.074 -9.885 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.832 7.307 -10.121 1.00 1.22 H new ATOM 0 HE ARG A 29 -2.881 5.146 -9.458 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -5.009 7.835 -10.354 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -6.336 6.770 -10.826 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.584 3.799 -10.069 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -6.096 4.492 -10.665 1.00 3.63 H new ATOM 461 N PHE A 30 -4.780 9.704 -5.006 1.00 0.56 N ATOM 462 CA PHE A 30 -5.957 10.331 -4.427 1.00 0.60 C ATOM 463 C PHE A 30 -7.020 10.437 -5.508 1.00 0.68 C ATOM 464 O PHE A 30 -7.028 11.379 -6.300 1.00 0.83 O ATOM 465 CB PHE A 30 -5.615 11.718 -3.870 1.00 0.66 C ATOM 466 CG PHE A 30 -4.758 11.682 -2.636 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.386 11.513 -2.729 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.328 11.822 -1.382 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.598 11.485 -1.593 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.546 11.795 -0.242 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.180 11.627 -0.348 1.00 0.82 C ATOM 0 H PHE A 30 -4.078 10.362 -5.344 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.327 9.728 -3.598 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.101 12.292 -4.641 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.541 12.246 -3.643 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.927 11.402 -3.700 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.396 11.954 -1.293 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.530 11.352 -1.679 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.003 11.905 0.730 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.567 11.607 0.541 1.00 0.82 H new ATOM 481 N VAL A 31 -7.899 9.450 -5.556 1.00 0.62 N ATOM 482 CA VAL A 31 -8.941 9.409 -6.572 1.00 0.70 C ATOM 483 C VAL A 31 -10.183 10.196 -6.162 1.00 0.73 C ATOM 484 O VAL A 31 -10.983 10.582 -7.015 1.00 0.83 O ATOM 485 CB VAL A 31 -9.338 7.958 -6.914 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.193 7.248 -7.621 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.750 7.193 -5.664 1.00 0.67 C ATOM 0 H VAL A 31 -7.913 8.666 -4.904 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.518 9.881 -7.459 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.196 7.991 -7.585 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -8.489 6.225 -7.856 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -7.951 7.777 -8.543 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.318 7.233 -6.971 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.025 6.174 -5.935 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -8.918 7.170 -4.961 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.603 7.687 -5.200 1.00 0.67 H new ATOM 497 N ASP A 32 -10.344 10.438 -4.867 1.00 0.72 N ATOM 498 CA ASP A 32 -11.502 11.182 -4.379 1.00 0.84 C ATOM 499 C ASP A 32 -11.153 11.962 -3.114 1.00 0.97 C ATOM 500 O ASP A 32 -11.999 12.155 -2.239 1.00 1.74 O ATOM 501 CB ASP A 32 -12.669 10.227 -4.111 1.00 0.84 C ATOM 502 CG ASP A 32 -14.019 10.912 -4.220 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.293 11.537 -5.264 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.818 10.826 -3.267 1.00 1.16 O ATOM 0 H ASP A 32 -9.695 10.134 -4.141 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.800 11.896 -5.147 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.627 9.400 -4.819 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.562 9.799 -3.114 1.00 0.84 H new ATOM 509 N ASN A 33 -9.900 12.419 -3.043 1.00 0.89 N ATOM 510 CA ASN A 33 -9.386 13.185 -1.899 1.00 0.95 C ATOM 511 C ASN A 33 -9.305 12.323 -0.641 1.00 0.84 C ATOM 512 O ASN A 33 -8.223 11.924 -0.227 1.00 1.07 O ATOM 513 CB ASN A 33 -10.239 14.437 -1.635 1.00 1.09 C ATOM 514 CG ASN A 33 -9.705 15.278 -0.485 1.00 1.82 C ATOM 515 OD1 ASN A 33 -10.006 15.023 0.682 1.00 2.09 O ATOM 516 ND2 ASN A 33 -8.918 16.295 -0.800 1.00 2.72 N ATOM 0 H ASN A 33 -9.209 12.269 -3.778 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.377 13.507 -2.156 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.274 15.045 -2.539 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.263 14.135 -1.414 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -8.541 16.895 -0.066 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -8.688 16.479 -1.777 1.00 2.72 H new ATOM 523 N ASN A 34 -10.456 12.010 -0.057 1.00 0.73 N ATOM 524 CA ASN A 34 -10.518 11.202 1.159 1.00 0.86 C ATOM 525 C ASN A 34 -10.537 9.718 0.821 1.00 0.88 C ATOM 526 O ASN A 34 -10.999 8.898 1.610 1.00 1.22 O ATOM 527 CB ASN A 34 -11.759 11.563 1.977 1.00 1.01 C ATOM 528 CG ASN A 34 -11.448 12.519 3.110 1.00 1.35 C ATOM 529 OD1 ASN A 34 -11.396 13.733 2.917 1.00 1.84 O ATOM 530 ND2 ASN A 34 -11.250 11.983 4.305 1.00 1.83 N ATOM 0 H ASN A 34 -11.367 12.306 -0.408 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.628 11.414 1.751 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -12.505 12.012 1.321 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -12.199 10.653 2.384 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.046 12.582 5.105 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.301 10.971 4.425 1.00 1.83 H new ATOM 537 N GLU A 35 -10.032 9.387 -0.357 1.00 0.64 N ATOM 538 CA GLU A 35 -9.981 8.009 -0.817 1.00 0.62 C ATOM 539 C GLU A 35 -8.689 7.776 -1.592 1.00 0.57 C ATOM 540 O GLU A 35 -8.467 8.383 -2.645 1.00 0.59 O ATOM 541 CB GLU A 35 -11.195 7.706 -1.700 1.00 0.68 C ATOM 542 CG GLU A 35 -11.851 6.367 -1.407 1.00 1.01 C ATOM 543 CD GLU A 35 -13.345 6.490 -1.200 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.995 7.246 -1.945 1.00 1.47 O ATOM 545 OE2 GLU A 35 -13.884 5.812 -0.305 1.00 2.25 O ATOM 0 H GLU A 35 -9.648 10.062 -1.018 1.00 0.64 H new ATOM 0 HA GLU A 35 -10.003 7.340 0.043 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.933 8.497 -1.570 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.886 7.727 -2.745 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -11.656 5.682 -2.232 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.398 5.931 -0.517 1.00 1.01 H new ATOM 552 N ILE A 36 -7.832 6.919 -1.064 1.00 0.52 N ATOM 553 CA ILE A 36 -6.567 6.621 -1.712 1.00 0.48 C ATOM 554 C ILE A 36 -6.590 5.235 -2.335 1.00 0.46 C ATOM 555 O ILE A 36 -6.837 4.234 -1.657 1.00 0.53 O ATOM 556 CB ILE A 36 -5.371 6.734 -0.741 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.746 6.219 0.651 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.895 8.176 -0.664 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.602 6.253 1.644 1.00 0.51 C ATOM 0 H ILE A 36 -7.989 6.418 -0.189 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.435 7.367 -2.495 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.559 6.115 -1.122 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.570 6.817 1.040 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -6.109 5.195 0.564 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.052 8.245 0.023 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.584 8.510 -1.654 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.707 8.809 -0.306 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.944 5.873 2.607 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.785 5.631 1.279 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -4.253 7.279 1.762 1.00 0.51 H new ATOM 571 N ASN A 37 -6.345 5.194 -3.633 1.00 0.44 N ATOM 572 CA ASN A 37 -6.336 3.946 -4.377 1.00 0.46 C ATOM 573 C ASN A 37 -4.907 3.472 -4.599 1.00 0.42 C ATOM 574 O ASN A 37 -4.108 4.152 -5.244 1.00 0.50 O ATOM 575 CB ASN A 37 -7.051 4.131 -5.720 1.00 0.54 C ATOM 576 CG ASN A 37 -7.024 2.886 -6.593 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.036 3.088 -7.901 1.00 1.82 O flip ATOM 578 ND2 ASN A 37 -7.005 1.758 -6.100 1.00 0.98 N flip ATOM 0 H ASN A 37 -6.148 6.020 -4.199 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.865 3.188 -3.799 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.087 4.415 -5.536 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.586 4.955 -6.261 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.996 1.645 -5.086 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -6.998 0.937 -6.705 1.00 0.98 H new ATOM 585 N ILE A 38 -4.591 2.313 -4.044 1.00 0.36 N ATOM 586 CA ILE A 38 -3.264 1.737 -4.178 1.00 0.33 C ATOM 587 C ILE A 38 -3.184 0.930 -5.467 1.00 0.41 C ATOM 588 O ILE A 38 -3.908 -0.056 -5.641 1.00 0.53 O ATOM 589 CB ILE A 38 -2.910 0.838 -2.971 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.857 1.673 -1.692 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.579 0.136 -3.195 1.00 0.37 C ATOM 592 CD1 ILE A 38 -2.847 0.846 -0.426 1.00 0.69 C ATOM 0 H ILE A 38 -5.240 1.750 -3.494 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.542 2.553 -4.208 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.685 0.079 -2.867 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.965 2.299 -1.714 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.716 2.344 -1.671 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.349 -0.491 -2.334 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.641 -0.484 -4.089 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.792 0.880 -3.323 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -2.809 1.507 0.440 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -3.752 0.240 -0.380 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -1.973 0.194 -0.424 1.00 0.69 H new ATOM 604 N ASP A 39 -2.312 1.363 -6.368 1.00 0.52 N ATOM 605 CA ASP A 39 -2.146 0.696 -7.654 1.00 0.73 C ATOM 606 C ASP A 39 -1.357 -0.594 -7.508 1.00 0.50 C ATOM 607 O ASP A 39 -1.860 -1.674 -7.814 1.00 0.64 O ATOM 608 CB ASP A 39 -1.440 1.607 -8.662 1.00 1.08 C ATOM 609 CG ASP A 39 -2.342 2.678 -9.243 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.426 2.342 -9.769 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.955 3.861 -9.206 1.00 2.47 O ATOM 0 H ASP A 39 -1.708 2.174 -6.233 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.145 0.462 -8.022 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.589 2.084 -8.175 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -1.042 0.998 -9.474 1.00 1.08 H new ATOM 616 N HIS A 40 -0.121 -0.491 -7.032 1.00 0.37 N ATOM 617 CA HIS A 40 0.721 -1.670 -6.877 1.00 0.44 C ATOM 618 C HIS A 40 1.626 -1.567 -5.656 1.00 0.39 C ATOM 619 O HIS A 40 1.802 -0.492 -5.080 1.00 0.42 O ATOM 620 CB HIS A 40 1.565 -1.902 -8.145 1.00 0.72 C ATOM 621 CG HIS A 40 2.551 -0.808 -8.458 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.490 -0.047 -9.606 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.637 -0.365 -7.778 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.493 0.811 -9.616 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.199 0.638 -8.518 1.00 1.64 N ATOM 0 H HIS A 40 0.316 0.386 -6.750 1.00 0.37 H new ATOM 0 HA HIS A 40 0.059 -2.523 -6.727 1.00 0.44 H new ATOM 0 HB2 HIS A 40 2.108 -2.841 -8.036 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.893 -2.020 -8.995 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.992 -0.736 -6.828 1.00 0.92 H new ATOM 0 HE1 HIS A 40 3.700 1.532 -10.393 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.032 1.168 -8.261 1.00 1.64 H new ATOM 634 N THR A 41 2.197 -2.700 -5.282 1.00 0.41 N ATOM 635 CA THR A 41 3.111 -2.780 -4.158 1.00 0.45 C ATOM 636 C THR A 41 4.290 -3.670 -4.538 1.00 0.54 C ATOM 637 O THR A 41 4.254 -4.883 -4.339 1.00 0.73 O ATOM 638 CB THR A 41 2.415 -3.348 -2.903 1.00 0.48 C ATOM 639 OG1 THR A 41 1.073 -2.843 -2.815 1.00 0.48 O ATOM 640 CG2 THR A 41 3.184 -2.979 -1.640 1.00 0.55 C ATOM 0 H THR A 41 2.038 -3.592 -5.751 1.00 0.41 H new ATOM 0 HA THR A 41 3.457 -1.774 -3.921 1.00 0.45 H new ATOM 0 HB THR A 41 2.391 -4.434 -2.990 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.863 -2.635 -1.881 1.00 0.48 H new ATOM 0 HG21 THR A 41 2.673 -3.391 -0.770 1.00 0.55 H new ATOM 0 HG22 THR A 41 4.193 -3.388 -1.696 1.00 0.55 H new ATOM 0 HG23 THR A 41 3.237 -1.894 -1.550 1.00 0.55 H new ATOM 648 N GLY A 42 5.318 -3.066 -5.114 1.00 0.55 N ATOM 649 CA GLY A 42 6.479 -3.823 -5.535 1.00 0.66 C ATOM 650 C GLY A 42 7.574 -3.808 -4.500 1.00 0.64 C ATOM 651 O GLY A 42 8.289 -2.818 -4.354 1.00 0.70 O ATOM 0 H GLY A 42 5.369 -2.064 -5.298 1.00 0.55 H new ATOM 0 HA2 GLY A 42 6.186 -4.853 -5.736 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.859 -3.412 -6.470 1.00 0.66 H new ATOM 655 N VAL A 43 7.698 -4.902 -3.771 1.00 0.67 N ATOM 656 CA VAL A 43 8.707 -5.028 -2.731 1.00 0.71 C ATOM 657 C VAL A 43 9.602 -6.227 -3.006 1.00 0.74 C ATOM 658 O VAL A 43 9.113 -7.312 -3.312 1.00 0.82 O ATOM 659 CB VAL A 43 8.054 -5.194 -1.340 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.109 -5.220 -0.238 1.00 0.93 C ATOM 661 CG2 VAL A 43 7.028 -4.095 -1.093 1.00 0.80 C ATOM 0 H VAL A 43 7.106 -5.725 -3.881 1.00 0.67 H new ATOM 0 HA VAL A 43 9.303 -4.115 -2.736 1.00 0.71 H new ATOM 0 HB VAL A 43 7.534 -6.152 -1.322 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.621 -5.338 0.730 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.790 -6.055 -0.405 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.671 -4.286 -0.250 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.580 -4.230 -0.109 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.518 -3.123 -1.138 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.251 -4.145 -1.855 1.00 0.80 H new ATOM 671 N SER A 44 10.906 -6.028 -2.928 1.00 0.82 N ATOM 672 CA SER A 44 11.835 -7.118 -3.148 1.00 0.90 C ATOM 673 C SER A 44 11.848 -8.039 -1.942 1.00 1.01 C ATOM 674 O SER A 44 12.054 -7.607 -0.805 1.00 1.32 O ATOM 675 CB SER A 44 13.239 -6.595 -3.430 1.00 1.27 C ATOM 676 OG SER A 44 14.125 -7.644 -3.785 1.00 1.83 O ATOM 0 H SER A 44 11.341 -5.130 -2.716 1.00 0.82 H new ATOM 0 HA SER A 44 11.504 -7.679 -4.022 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.200 -5.862 -4.236 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.620 -6.079 -2.549 1.00 1.27 H new ATOM 0 HG SER A 44 15.016 -7.275 -3.961 1.00 1.83 H new ATOM 682 N ASP A 45 11.632 -9.305 -2.210 1.00 1.10 N ATOM 683 CA ASP A 45 11.600 -10.331 -1.175 1.00 1.45 C ATOM 684 C ASP A 45 11.832 -11.697 -1.796 1.00 1.27 C ATOM 685 O ASP A 45 10.982 -12.217 -2.521 1.00 1.73 O ATOM 686 CB ASP A 45 10.259 -10.325 -0.427 1.00 2.05 C ATOM 687 CG ASP A 45 10.284 -11.188 0.827 1.00 2.57 C ATOM 688 OD1 ASP A 45 11.265 -11.940 1.031 1.00 3.12 O ATOM 689 OD2 ASP A 45 9.329 -11.112 1.629 1.00 2.90 O ATOM 0 H ASP A 45 11.472 -9.661 -3.152 1.00 1.10 H new ATOM 0 HA ASP A 45 12.392 -10.113 -0.459 1.00 1.45 H new ATOM 0 HB2 ASP A 45 10.004 -9.301 -0.154 1.00 2.05 H new ATOM 0 HB3 ASP A 45 9.474 -10.682 -1.094 1.00 2.05 H new ATOM 694 N GLU A 46 12.988 -12.267 -1.515 1.00 1.36 N ATOM 695 CA GLU A 46 13.341 -13.574 -2.041 1.00 1.66 C ATOM 696 C GLU A 46 13.333 -14.615 -0.933 1.00 1.96 C ATOM 697 O GLU A 46 13.677 -15.777 -1.149 1.00 2.52 O ATOM 698 CB GLU A 46 14.716 -13.519 -2.702 1.00 2.19 C ATOM 699 CG GLU A 46 14.740 -12.682 -3.970 1.00 2.65 C ATOM 700 CD GLU A 46 13.795 -13.210 -5.028 1.00 3.34 C ATOM 701 OE1 GLU A 46 13.875 -14.410 -5.355 1.00 3.80 O ATOM 702 OE2 GLU A 46 12.966 -12.428 -5.542 1.00 3.79 O ATOM 0 H GLU A 46 13.703 -11.844 -0.923 1.00 1.36 H new ATOM 0 HA GLU A 46 12.600 -13.859 -2.788 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.437 -13.112 -1.993 1.00 2.19 H new ATOM 0 HB3 GLU A 46 15.039 -14.533 -2.938 1.00 2.19 H new ATOM 0 HG2 GLU A 46 14.472 -11.653 -3.728 1.00 2.65 H new ATOM 0 HG3 GLU A 46 15.754 -12.662 -4.370 1.00 2.65 H new ATOM 709 N LEU A 47 12.924 -14.197 0.256 1.00 2.08 N ATOM 710 CA LEU A 47 12.889 -15.093 1.401 1.00 2.74 C ATOM 711 C LEU A 47 11.455 -15.411 1.799 1.00 2.84 C ATOM 712 O LEU A 47 11.155 -16.520 2.239 1.00 3.61 O ATOM 713 CB LEU A 47 13.637 -14.473 2.580 1.00 3.16 C ATOM 714 CG LEU A 47 15.055 -13.984 2.264 1.00 3.70 C ATOM 715 CD1 LEU A 47 15.599 -13.147 3.410 1.00 4.35 C ATOM 716 CD2 LEU A 47 15.982 -15.161 1.976 1.00 4.47 C ATOM 0 H LEU A 47 12.613 -13.246 0.452 1.00 2.08 H new ATOM 0 HA LEU A 47 13.380 -16.024 1.119 1.00 2.74 H new ATOM 0 HB2 LEU A 47 13.055 -13.633 2.958 1.00 3.16 H new ATOM 0 HB3 LEU A 47 13.693 -15.209 3.382 1.00 3.16 H new ATOM 0 HG LEU A 47 15.008 -13.360 1.372 1.00 3.70 H new ATOM 0 HD11 LEU A 47 16.606 -12.809 3.167 1.00 4.35 H new ATOM 0 HD12 LEU A 47 14.954 -12.282 3.567 1.00 4.35 H new ATOM 0 HD13 LEU A 47 15.627 -13.749 4.319 1.00 4.35 H new ATOM 0 HD21 LEU A 47 16.983 -14.790 1.754 1.00 4.47 H new ATOM 0 HD22 LEU A 47 16.022 -15.814 2.847 1.00 4.47 H new ATOM 0 HD23 LEU A 47 15.605 -15.720 1.120 1.00 4.47 H new ATOM 728 N GLY A 48 10.574 -14.436 1.643 1.00 2.46 N ATOM 729 CA GLY A 48 9.184 -14.632 1.990 1.00 3.19 C ATOM 730 C GLY A 48 8.890 -14.178 3.403 1.00 3.20 C ATOM 731 O GLY A 48 8.411 -14.957 4.231 1.00 3.86 O ATOM 0 H GLY A 48 10.798 -13.509 1.281 1.00 2.46 H new ATOM 0 HA2 GLY A 48 8.554 -14.081 1.292 1.00 3.19 H new ATOM 0 HA3 GLY A 48 8.928 -15.686 1.886 1.00 3.19 H new ATOM 735 N GLY A 49 9.178 -12.918 3.687 1.00 2.85 N ATOM 736 CA GLY A 49 8.938 -12.394 5.014 1.00 3.05 C ATOM 737 C GLY A 49 9.593 -11.049 5.250 1.00 2.17 C ATOM 738 O GLY A 49 9.861 -10.682 6.395 1.00 2.73 O ATOM 0 H GLY A 49 9.573 -12.250 3.024 1.00 2.85 H new ATOM 0 HA2 GLY A 49 7.864 -12.301 5.172 1.00 3.05 H new ATOM 0 HA3 GLY A 49 9.308 -13.106 5.752 1.00 3.05 H new ATOM 742 N GLN A 50 9.850 -10.307 4.181 1.00 1.42 N ATOM 743 CA GLN A 50 10.475 -9.000 4.309 1.00 1.52 C ATOM 744 C GLN A 50 9.477 -7.999 4.869 1.00 1.37 C ATOM 745 O GLN A 50 8.465 -7.692 4.235 1.00 2.20 O ATOM 746 CB GLN A 50 11.018 -8.515 2.961 1.00 2.43 C ATOM 747 CG GLN A 50 12.442 -8.983 2.655 1.00 2.96 C ATOM 748 CD GLN A 50 12.938 -10.051 3.611 1.00 3.04 C ATOM 749 OE1 GLN A 50 13.568 -9.748 4.626 1.00 3.39 O ATOM 750 NE2 GLN A 50 12.656 -11.306 3.301 1.00 3.44 N ATOM 0 H GLN A 50 9.637 -10.586 3.223 1.00 1.42 H new ATOM 0 HA GLN A 50 11.315 -9.088 4.998 1.00 1.52 H new ATOM 0 HB2 GLN A 50 10.355 -8.862 2.169 1.00 2.43 H new ATOM 0 HB3 GLN A 50 10.994 -7.425 2.943 1.00 2.43 H new ATOM 0 HG2 GLN A 50 12.479 -9.370 1.637 1.00 2.96 H new ATOM 0 HG3 GLN A 50 13.116 -8.127 2.696 1.00 2.96 H new ATOM 0 HE21 GLN A 50 12.132 -11.516 2.451 1.00 3.44 H new ATOM 0 HE22 GLN A 50 12.963 -12.063 3.912 1.00 3.44 H new ATOM 759 N GLY A 51 9.773 -7.495 6.061 1.00 1.01 N ATOM 760 CA GLY A 51 8.898 -6.542 6.713 1.00 1.11 C ATOM 761 C GLY A 51 8.842 -5.212 5.992 1.00 0.88 C ATOM 762 O GLY A 51 7.964 -4.397 6.264 1.00 0.86 O ATOM 0 H GLY A 51 10.612 -7.733 6.591 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.893 -6.960 6.774 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.239 -6.382 7.736 1.00 1.11 H new ATOM 766 N VAL A 52 9.774 -5.003 5.068 1.00 0.80 N ATOM 767 CA VAL A 52 9.844 -3.769 4.290 1.00 0.68 C ATOM 768 C VAL A 52 8.508 -3.471 3.607 1.00 0.58 C ATOM 769 O VAL A 52 8.036 -2.334 3.625 1.00 0.56 O ATOM 770 CB VAL A 52 10.957 -3.852 3.220 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.086 -2.537 2.464 1.00 0.91 C ATOM 772 CG2 VAL A 52 12.283 -4.235 3.856 1.00 1.14 C ATOM 0 H VAL A 52 10.500 -5.681 4.837 1.00 0.80 H new ATOM 0 HA VAL A 52 10.075 -2.962 4.985 1.00 0.68 H new ATOM 0 HB VAL A 52 10.681 -4.627 2.505 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.876 -2.622 1.718 1.00 0.91 H new ATOM 0 HG12 VAL A 52 10.142 -2.308 1.969 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.333 -1.738 3.163 1.00 0.91 H new ATOM 0 HG21 VAL A 52 13.054 -4.288 3.087 1.00 1.14 H new ATOM 0 HG22 VAL A 52 12.561 -3.485 4.597 1.00 1.14 H new ATOM 0 HG23 VAL A 52 12.187 -5.206 4.341 1.00 1.14 H new ATOM 782 N GLY A 53 7.895 -4.501 3.028 1.00 0.59 N ATOM 783 CA GLY A 53 6.622 -4.325 2.352 1.00 0.58 C ATOM 784 C GLY A 53 5.512 -3.933 3.304 1.00 0.51 C ATOM 785 O GLY A 53 4.694 -3.067 2.996 1.00 0.50 O ATOM 0 H GLY A 53 8.258 -5.454 3.015 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.725 -3.559 1.583 1.00 0.58 H new ATOM 0 HA3 GLY A 53 6.352 -5.251 1.845 1.00 0.58 H new ATOM 789 N LYS A 54 5.493 -4.567 4.464 1.00 0.52 N ATOM 790 CA LYS A 54 4.482 -4.285 5.475 1.00 0.50 C ATOM 791 C LYS A 54 4.694 -2.886 6.046 1.00 0.48 C ATOM 792 O LYS A 54 3.744 -2.150 6.304 1.00 0.48 O ATOM 793 CB LYS A 54 4.554 -5.323 6.598 1.00 0.59 C ATOM 794 CG LYS A 54 4.634 -6.765 6.110 1.00 0.75 C ATOM 795 CD LYS A 54 4.871 -7.727 7.263 1.00 1.08 C ATOM 796 CE LYS A 54 3.627 -7.885 8.124 1.00 1.49 C ATOM 797 NZ LYS A 54 3.969 -8.150 9.542 1.00 2.02 N ATOM 0 H LYS A 54 6.168 -5.283 4.732 1.00 0.52 H new ATOM 0 HA LYS A 54 3.497 -4.336 5.011 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.425 -5.112 7.218 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.676 -5.215 7.235 1.00 0.59 H new ATOM 0 HG2 LYS A 54 3.709 -7.029 5.598 1.00 0.75 H new ATOM 0 HG3 LYS A 54 5.440 -6.861 5.382 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.169 -8.699 6.871 1.00 1.08 H new ATOM 0 HD3 LYS A 54 5.696 -7.364 7.877 1.00 1.08 H new ATOM 0 HE2 LYS A 54 3.023 -6.980 8.059 1.00 1.49 H new ATOM 0 HE3 LYS A 54 3.019 -8.703 7.738 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 3.095 -8.252 10.097 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 4.524 -9.027 9.607 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 4.528 -7.358 9.918 1.00 2.02 H new ATOM 811 N LYS A 55 5.963 -2.535 6.221 1.00 0.51 N ATOM 812 CA LYS A 55 6.363 -1.239 6.754 1.00 0.54 C ATOM 813 C LYS A 55 5.841 -0.098 5.884 1.00 0.47 C ATOM 814 O LYS A 55 5.333 0.904 6.394 1.00 0.48 O ATOM 815 CB LYS A 55 7.890 -1.186 6.835 1.00 0.65 C ATOM 816 CG LYS A 55 8.443 0.093 7.435 1.00 1.28 C ATOM 817 CD LYS A 55 9.944 0.198 7.215 1.00 1.72 C ATOM 818 CE LYS A 55 10.688 -1.000 7.789 1.00 2.30 C ATOM 819 NZ LYS A 55 10.624 -1.036 9.274 1.00 2.57 N ATOM 0 H LYS A 55 6.748 -3.146 5.995 1.00 0.51 H new ATOM 0 HA LYS A 55 5.933 -1.118 7.748 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.240 -2.031 7.428 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.299 -1.309 5.832 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.946 0.953 6.987 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.226 0.121 8.503 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.150 0.275 6.147 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.316 1.112 7.678 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.262 -1.919 7.385 1.00 2.30 H new ATOM 0 HE3 LYS A 55 11.730 -0.966 7.472 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 11.185 -1.838 9.626 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 11.007 -0.149 9.660 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 9.635 -1.146 9.576 1.00 2.57 H new ATOM 833 N LEU A 56 5.969 -0.261 4.572 1.00 0.46 N ATOM 834 CA LEU A 56 5.510 0.750 3.626 1.00 0.45 C ATOM 835 C LEU A 56 4.006 0.964 3.747 1.00 0.38 C ATOM 836 O LEU A 56 3.536 2.099 3.834 1.00 0.37 O ATOM 837 CB LEU A 56 5.864 0.339 2.194 1.00 0.54 C ATOM 838 CG LEU A 56 7.349 0.423 1.838 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.604 -0.214 0.482 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.820 1.871 1.846 1.00 0.85 C ATOM 0 H LEU A 56 6.387 -1.084 4.139 1.00 0.46 H new ATOM 0 HA LEU A 56 6.014 1.687 3.863 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.526 -0.685 2.033 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.305 0.971 1.504 1.00 0.54 H new ATOM 0 HG LEU A 56 7.917 -0.125 2.590 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.665 -0.147 0.242 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.304 -1.262 0.510 1.00 0.86 H new ATOM 0 HD13 LEU A 56 7.026 0.309 -0.280 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.879 1.911 1.590 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.249 2.443 1.115 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.670 2.297 2.838 1.00 0.85 H new ATOM 852 N LEU A 57 3.256 -0.131 3.767 1.00 0.37 N ATOM 853 CA LEU A 57 1.806 -0.062 3.875 1.00 0.36 C ATOM 854 C LEU A 57 1.393 0.523 5.221 1.00 0.34 C ATOM 855 O LEU A 57 0.438 1.299 5.307 1.00 0.37 O ATOM 856 CB LEU A 57 1.190 -1.451 3.690 1.00 0.43 C ATOM 857 CG LEU A 57 -0.339 -1.483 3.614 1.00 0.72 C ATOM 858 CD1 LEU A 57 -0.839 -0.624 2.464 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.830 -2.912 3.456 1.00 0.71 C ATOM 0 H LEU A 57 3.630 -1.078 3.710 1.00 0.37 H new ATOM 0 HA LEU A 57 1.436 0.593 3.086 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.592 -1.890 2.777 1.00 0.43 H new ATOM 0 HB3 LEU A 57 1.510 -2.085 4.517 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.736 -1.076 4.544 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -1.928 -0.661 2.429 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.516 0.406 2.612 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.432 -1.000 1.525 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.919 -2.919 3.403 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.420 -3.339 2.541 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -0.504 -3.505 4.310 1.00 0.71 H new ATOM 871 N LYS A 58 2.128 0.151 6.262 1.00 0.36 N ATOM 872 CA LYS A 58 1.869 0.631 7.615 1.00 0.42 C ATOM 873 C LYS A 58 1.932 2.154 7.663 1.00 0.41 C ATOM 874 O LYS A 58 1.065 2.804 8.250 1.00 0.44 O ATOM 875 CB LYS A 58 2.894 0.030 8.586 1.00 0.50 C ATOM 876 CG LYS A 58 2.426 -0.037 10.036 1.00 0.74 C ATOM 877 CD LYS A 58 2.764 1.230 10.811 1.00 1.10 C ATOM 878 CE LYS A 58 4.265 1.484 10.861 1.00 1.13 C ATOM 879 NZ LYS A 58 4.630 2.460 11.918 1.00 1.39 N ATOM 0 H LYS A 58 2.918 -0.490 6.193 1.00 0.36 H new ATOM 0 HA LYS A 58 0.868 0.317 7.912 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.146 -0.976 8.252 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.809 0.620 8.540 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.348 -0.199 10.061 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.888 -0.894 10.526 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.267 2.082 10.347 1.00 1.10 H new ATOM 0 HD3 LYS A 58 2.376 1.149 11.826 1.00 1.10 H new ATOM 0 HE2 LYS A 58 4.786 0.544 11.041 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.602 1.855 9.893 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.158 3.249 11.494 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 3.766 2.824 12.368 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 5.222 1.992 12.633 1.00 1.39 H new ATOM 893 N ALA A 59 2.954 2.717 7.026 1.00 0.43 N ATOM 894 CA ALA A 59 3.133 4.165 6.992 1.00 0.48 C ATOM 895 C ALA A 59 1.973 4.844 6.273 1.00 0.44 C ATOM 896 O ALA A 59 1.566 5.951 6.637 1.00 0.47 O ATOM 897 CB ALA A 59 4.452 4.518 6.322 1.00 0.56 C ATOM 0 H ALA A 59 3.672 2.192 6.526 1.00 0.43 H new ATOM 0 HA ALA A 59 3.152 4.529 8.019 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.572 5.601 6.304 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.275 4.071 6.880 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.456 4.135 5.301 1.00 0.56 H new ATOM 903 N VAL A 60 1.447 4.178 5.254 1.00 0.39 N ATOM 904 CA VAL A 60 0.324 4.708 4.493 1.00 0.38 C ATOM 905 C VAL A 60 -0.938 4.708 5.344 1.00 0.37 C ATOM 906 O VAL A 60 -1.615 5.729 5.462 1.00 0.40 O ATOM 907 CB VAL A 60 0.067 3.891 3.208 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.072 4.497 2.398 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.328 3.801 2.366 1.00 0.41 C ATOM 0 H VAL A 60 1.781 3.268 4.935 1.00 0.39 H new ATOM 0 HA VAL A 60 0.580 5.728 4.208 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.222 2.882 3.503 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.234 3.904 1.498 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.982 4.502 2.998 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.816 5.519 2.118 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.124 3.221 1.466 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.651 4.804 2.086 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.115 3.313 2.941 1.00 0.41 H new ATOM 919 N VAL A 61 -1.234 3.559 5.949 1.00 0.36 N ATOM 920 CA VAL A 61 -2.417 3.412 6.794 1.00 0.40 C ATOM 921 C VAL A 61 -2.401 4.423 7.939 1.00 0.44 C ATOM 922 O VAL A 61 -3.425 5.036 8.254 1.00 0.49 O ATOM 923 CB VAL A 61 -2.526 1.984 7.375 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.744 1.855 8.278 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.581 0.955 6.257 1.00 0.43 C ATOM 0 H VAL A 61 -0.669 2.714 5.869 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.284 3.599 6.161 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.637 1.795 7.976 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.798 0.841 8.674 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.662 2.563 9.103 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.646 2.069 7.705 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.658 -0.044 6.686 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.450 1.148 5.628 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.675 1.023 5.655 1.00 0.43 H new ATOM 935 N GLU A 62 -1.232 4.605 8.543 1.00 0.47 N ATOM 936 CA GLU A 62 -1.077 5.545 9.646 1.00 0.54 C ATOM 937 C GLU A 62 -1.489 6.950 9.224 1.00 0.55 C ATOM 938 O GLU A 62 -2.363 7.560 9.842 1.00 0.61 O ATOM 939 CB GLU A 62 0.366 5.550 10.140 1.00 0.61 C ATOM 940 CG GLU A 62 0.589 4.665 11.352 1.00 1.05 C ATOM 941 CD GLU A 62 1.823 5.055 12.132 1.00 1.17 C ATOM 942 OE1 GLU A 62 1.970 6.247 12.466 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.661 4.169 12.410 1.00 1.76 O ATOM 0 H GLU A 62 -0.376 4.113 8.286 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.729 5.224 10.459 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.020 5.220 9.333 1.00 0.61 H new ATOM 0 HB3 GLU A 62 0.655 6.572 10.387 1.00 0.61 H new ATOM 0 HG2 GLU A 62 -0.282 4.721 12.004 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.679 3.628 11.029 1.00 1.05 H new ATOM 950 N HIS A 63 -0.872 7.444 8.155 1.00 0.54 N ATOM 951 CA HIS A 63 -1.172 8.779 7.645 1.00 0.61 C ATOM 952 C HIS A 63 -2.623 8.859 7.184 1.00 0.61 C ATOM 953 O HIS A 63 -3.278 9.893 7.334 1.00 0.69 O ATOM 954 CB HIS A 63 -0.227 9.143 6.492 1.00 0.67 C ATOM 955 CG HIS A 63 -0.400 10.548 5.990 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.209 11.639 6.573 1.00 0.85 N ATOM 957 CD2 HIS A 63 -1.119 11.036 4.950 1.00 0.97 C ATOM 958 CE1 HIS A 63 -0.133 12.733 5.920 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.937 12.394 4.930 1.00 1.04 N ATOM 0 H HIS A 63 -0.161 6.940 7.625 1.00 0.54 H new ATOM 0 HA HIS A 63 -1.022 9.495 8.453 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.803 9.009 6.822 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.390 8.449 5.667 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -1.723 10.461 4.264 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.190 13.736 6.156 1.00 0.97 H new ATOM 0 HE2 HIS A 63 -1.355 13.038 4.259 1.00 1.04 H new ATOM 968 N ALA A 64 -3.117 7.761 6.626 1.00 0.56 N ATOM 969 CA ALA A 64 -4.487 7.695 6.149 1.00 0.62 C ATOM 970 C ALA A 64 -5.466 7.918 7.291 1.00 0.70 C ATOM 971 O ALA A 64 -6.323 8.792 7.214 1.00 0.85 O ATOM 972 CB ALA A 64 -4.752 6.359 5.477 1.00 0.61 C ATOM 0 H ALA A 64 -2.584 6.902 6.494 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.631 8.488 5.415 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.783 6.327 5.126 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.076 6.237 4.631 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.587 5.553 6.192 1.00 0.61 H new ATOM 978 N ARG A 65 -5.300 7.157 8.367 1.00 0.69 N ATOM 979 CA ARG A 65 -6.179 7.263 9.527 1.00 0.82 C ATOM 980 C ARG A 65 -6.103 8.655 10.148 1.00 0.85 C ATOM 981 O ARG A 65 -7.089 9.158 10.684 1.00 0.96 O ATOM 982 CB ARG A 65 -5.825 6.198 10.565 1.00 0.89 C ATOM 983 CG ARG A 65 -7.013 5.768 11.411 1.00 1.36 C ATOM 984 CD ARG A 65 -6.690 4.547 12.256 1.00 1.44 C ATOM 985 NE ARG A 65 -7.901 3.946 12.812 1.00 2.20 N ATOM 986 CZ ARG A 65 -7.942 3.242 13.943 1.00 2.25 C ATOM 987 NH1 ARG A 65 -6.829 2.997 14.622 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.101 2.765 14.388 1.00 3.12 N ATOM 0 H ARG A 65 -4.563 6.458 8.461 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.202 7.098 9.190 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -5.415 5.326 10.056 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -5.042 6.583 11.219 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -7.314 6.590 12.060 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -7.861 5.547 10.762 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.163 3.811 11.648 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.018 4.831 13.066 1.00 1.44 H new ATOM 0 HE ARG A 65 -8.774 4.074 12.300 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -5.935 3.348 14.279 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -6.867 2.458 15.487 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -9.959 2.938 13.864 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -9.132 2.226 15.254 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.934 9.279 10.062 1.00 0.79 N ATOM 1003 CA GLU A 66 -4.740 10.617 10.610 1.00 0.88 C ATOM 1004 C GLU A 66 -5.529 11.659 9.821 1.00 0.89 C ATOM 1005 O GLU A 66 -5.920 12.696 10.358 1.00 1.00 O ATOM 1006 CB GLU A 66 -3.258 10.995 10.596 1.00 0.90 C ATOM 1007 CG GLU A 66 -2.403 10.175 11.544 1.00 1.05 C ATOM 1008 CD GLU A 66 -0.947 10.589 11.505 1.00 1.33 C ATOM 1009 OE1 GLU A 66 -0.666 11.797 11.653 1.00 1.38 O ATOM 1010 OE2 GLU A 66 -0.075 9.713 11.318 1.00 1.82 O ATOM 0 H GLU A 66 -4.106 8.881 9.618 1.00 0.79 H new ATOM 0 HA GLU A 66 -5.104 10.603 11.637 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.873 10.878 9.583 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -3.160 12.049 10.854 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -2.783 10.284 12.560 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -2.486 9.120 11.285 1.00 1.05 H new ATOM 1017 N ASN A 67 -5.765 11.373 8.548 1.00 0.82 N ATOM 1018 CA ASN A 67 -6.484 12.297 7.677 1.00 0.87 C ATOM 1019 C ASN A 67 -7.854 11.753 7.288 1.00 0.89 C ATOM 1020 O ASN A 67 -8.502 12.287 6.389 1.00 0.97 O ATOM 1021 CB ASN A 67 -5.657 12.574 6.420 1.00 0.86 C ATOM 1022 CG ASN A 67 -4.542 13.573 6.659 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -4.680 14.758 6.363 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -3.427 13.101 7.197 1.00 1.09 N ATOM 0 H ASN A 67 -5.470 10.509 8.094 1.00 0.82 H new ATOM 0 HA ASN A 67 -6.638 13.225 8.227 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -5.229 11.639 6.058 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -6.313 12.949 5.634 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -2.644 13.728 7.380 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -3.352 12.110 7.428 1.00 1.09 H new ATOM 1031 N ASN A 68 -8.283 10.688 7.969 1.00 0.88 N ATOM 1032 CA ASN A 68 -9.584 10.054 7.706 1.00 0.94 C ATOM 1033 C ASN A 68 -9.682 9.601 6.245 1.00 0.87 C ATOM 1034 O ASN A 68 -10.757 9.581 5.645 1.00 0.94 O ATOM 1035 CB ASN A 68 -10.729 11.019 8.061 1.00 1.10 C ATOM 1036 CG ASN A 68 -12.092 10.342 8.136 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -12.907 10.451 7.220 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -12.351 9.646 9.231 1.00 2.18 N ATOM 0 H ASN A 68 -7.746 10.241 8.713 1.00 0.88 H new ATOM 0 HA ASN A 68 -9.673 9.169 8.337 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -10.513 11.490 9.020 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.767 11.814 7.317 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -13.251 9.178 9.337 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.651 9.578 9.970 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.545 9.228 5.677 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.497 8.781 4.296 1.00 0.73 C ATOM 1047 C LEU A 69 -8.909 7.326 4.198 1.00 0.70 C ATOM 1048 O LEU A 69 -8.391 6.472 4.917 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.092 8.942 3.712 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.484 10.340 3.820 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.012 10.304 3.443 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.241 11.316 2.934 1.00 0.77 C ATOM 0 H LEU A 69 -7.643 9.227 6.153 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.190 9.399 3.726 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.428 8.238 4.213 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.122 8.659 2.660 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.567 10.679 4.852 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.591 11.306 3.524 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.480 9.631 4.116 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.908 9.949 2.418 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.796 12.307 3.022 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.186 10.984 1.897 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.284 11.357 3.247 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.847 7.059 3.313 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.326 5.713 3.086 1.00 0.70 C ATOM 1066 C LYS A 70 -9.373 5.015 2.131 1.00 0.62 C ATOM 1067 O LYS A 70 -8.898 5.622 1.169 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.747 5.751 2.527 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.789 6.133 3.567 1.00 0.80 C ATOM 1070 CD LYS A 70 -14.154 6.344 2.938 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.246 7.690 2.235 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.239 7.668 1.128 1.00 3.05 N ATOM 0 H LYS A 70 -10.297 7.767 2.733 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.358 5.158 4.024 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.787 6.463 1.703 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.995 4.773 2.116 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.853 5.351 4.323 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.478 7.045 4.077 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -14.353 5.545 2.223 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -14.923 6.282 3.708 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.523 8.459 2.956 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.267 7.961 1.840 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -15.120 8.516 0.538 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.092 6.818 0.547 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.200 7.654 1.524 1.00 3.05 H new ATOM 1086 N ILE A 71 -9.091 3.752 2.387 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.140 3.021 1.564 1.00 0.57 C ATOM 1088 C ILE A 71 -8.802 1.975 0.679 1.00 0.56 C ATOM 1089 O ILE A 71 -9.574 1.129 1.143 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.053 2.338 2.425 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.343 3.371 3.306 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.044 1.615 1.541 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.223 2.791 4.145 1.00 0.86 C ATOM 0 H ILE A 71 -9.501 3.213 3.150 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.680 3.769 0.918 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.537 1.603 3.069 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.938 4.159 2.671 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -7.075 3.837 3.966 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.287 1.141 2.166 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.556 0.855 0.951 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.566 2.332 0.873 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.768 3.582 4.741 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.624 2.023 4.806 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.470 2.350 3.492 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.486 2.055 -0.603 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.985 1.119 -1.593 1.00 0.54 C ATOM 1107 C ILE A 72 -7.813 0.612 -2.428 1.00 0.50 C ATOM 1108 O ILE A 72 -7.270 1.333 -3.256 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.047 1.754 -2.518 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.782 3.251 -2.706 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.441 1.528 -1.956 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.565 3.876 -3.837 1.00 0.99 C ATOM 0 H ILE A 72 -7.873 2.775 -0.986 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.468 0.296 -1.066 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.982 1.272 -3.494 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -10.024 3.772 -1.779 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.718 3.401 -2.888 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.178 1.981 -2.619 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.633 0.458 -1.878 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.513 1.983 -0.968 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.322 4.936 -3.905 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.306 3.383 -4.774 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.632 3.760 -3.649 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.399 -0.618 -2.181 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.278 -1.190 -2.904 1.00 0.43 C ATOM 1126 C ALA A 73 -6.743 -2.023 -4.087 1.00 0.43 C ATOM 1127 O ALA A 73 -7.677 -2.814 -3.974 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.426 -2.035 -1.975 1.00 0.50 C ATOM 0 H ALA A 73 -7.820 -1.237 -1.489 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.678 -0.365 -3.289 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.589 -2.457 -2.532 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.046 -1.414 -1.164 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.030 -2.842 -1.561 1.00 0.50 H new ATOM 1134 N SER A 74 -6.089 -1.834 -5.222 1.00 0.48 N ATOM 1135 CA SER A 74 -6.420 -2.584 -6.420 1.00 0.53 C ATOM 1136 C SER A 74 -5.637 -3.893 -6.444 1.00 0.46 C ATOM 1137 O SER A 74 -6.034 -4.859 -7.098 1.00 0.55 O ATOM 1138 CB SER A 74 -6.114 -1.758 -7.670 1.00 0.69 C ATOM 1139 OG SER A 74 -6.826 -0.529 -7.660 1.00 0.94 O ATOM 0 H SER A 74 -5.326 -1.167 -5.337 1.00 0.48 H new ATOM 0 HA SER A 74 -7.486 -2.809 -6.411 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.043 -1.561 -7.726 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.380 -2.328 -8.560 1.00 0.69 H new ATOM 0 HG SER A 74 -6.611 -0.020 -8.469 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.524 -3.916 -5.719 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.678 -5.099 -5.643 1.00 0.48 C ATOM 1147 C CYS A 75 -4.253 -6.109 -4.658 1.00 0.45 C ATOM 1148 O CYS A 75 -4.629 -5.750 -3.542 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.266 -4.700 -5.215 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.048 -2.915 -5.047 1.00 1.31 S ATOM 0 H CYS A 75 -4.186 -3.123 -5.173 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.639 -5.562 -6.629 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.033 -5.179 -4.264 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.552 -5.079 -5.946 1.00 0.59 H new ATOM 0 HG CYS A 75 -2.176 -2.351 -6.211 1.00 1.31 H new ATOM 1156 N SER A 76 -4.311 -7.363 -5.077 1.00 0.57 N ATOM 1157 CA SER A 76 -4.841 -8.435 -4.248 1.00 0.64 C ATOM 1158 C SER A 76 -4.045 -8.580 -2.950 1.00 0.61 C ATOM 1159 O SER A 76 -4.623 -8.738 -1.875 1.00 0.61 O ATOM 1160 CB SER A 76 -4.812 -9.747 -5.032 1.00 0.82 C ATOM 1161 OG SER A 76 -4.085 -9.592 -6.244 1.00 1.12 O ATOM 0 H SER A 76 -3.993 -7.666 -5.998 1.00 0.57 H new ATOM 0 HA SER A 76 -5.869 -8.189 -3.982 1.00 0.64 H new ATOM 0 HB2 SER A 76 -4.355 -10.529 -4.425 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.830 -10.068 -5.251 1.00 0.82 H new ATOM 0 HG SER A 76 -4.076 -10.442 -6.731 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.721 -8.512 -3.054 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.856 -8.642 -1.886 1.00 0.62 C ATOM 1169 C PHE A 77 -2.115 -7.521 -0.883 1.00 0.55 C ATOM 1170 O PHE A 77 -2.376 -7.778 0.294 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.381 -8.639 -2.298 1.00 0.68 C ATOM 1172 CG PHE A 77 0.552 -8.838 -1.134 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.802 -10.108 -0.644 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.168 -7.755 -0.526 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.648 -10.296 0.429 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.016 -7.939 0.547 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.254 -9.210 1.026 1.00 0.95 C ATOM 0 H PHE A 77 -2.225 -8.368 -3.933 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.088 -9.595 -1.410 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.212 -9.427 -3.032 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.147 -7.693 -2.787 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.329 -10.962 -1.107 1.00 0.83 H new ATOM 0 HD2 PHE A 77 0.982 -6.757 -0.896 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.836 -11.292 0.801 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.493 -7.088 1.011 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.914 -9.355 1.868 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.041 -6.283 -1.358 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.260 -5.119 -0.511 1.00 0.46 C ATOM 1189 C ALA A 78 -3.654 -5.144 0.107 1.00 0.44 C ATOM 1190 O ALA A 78 -3.822 -4.869 1.294 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.052 -3.839 -1.305 1.00 0.47 C ATOM 0 H ALA A 78 -1.830 -6.060 -2.331 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.532 -5.149 0.300 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.219 -2.978 -0.658 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.033 -3.811 -1.690 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.755 -3.809 -2.138 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.644 -5.497 -0.703 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.026 -5.566 -0.244 1.00 0.47 C ATOM 1199 C LYS A 79 -6.170 -6.615 0.856 1.00 0.52 C ATOM 1200 O LYS A 79 -6.883 -6.410 1.838 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.948 -5.901 -1.415 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.299 -5.213 -1.346 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.202 -5.634 -2.496 1.00 0.87 C ATOM 1204 CE LYS A 79 -9.740 -7.044 -2.301 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.717 -7.115 -1.182 1.00 1.27 N ATOM 0 H LYS A 79 -4.515 -5.741 -1.685 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.309 -4.595 0.164 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.455 -5.620 -2.346 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -7.101 -6.980 -1.448 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.781 -5.451 -0.398 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.159 -4.132 -1.369 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -10.034 -4.935 -2.580 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.647 -5.582 -3.433 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.217 -7.381 -3.221 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -8.912 -7.725 -2.104 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -10.520 -7.956 -0.602 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -10.634 -6.261 -0.594 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.681 -7.178 -1.567 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.479 -7.735 0.681 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.510 -8.823 1.652 1.00 0.64 C ATOM 1221 C HIS A 80 -4.890 -8.384 2.974 1.00 0.60 C ATOM 1222 O HIS A 80 -5.358 -8.759 4.045 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.771 -10.047 1.107 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.761 -11.208 2.053 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.908 -11.840 2.480 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.731 -11.852 2.657 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -5.589 -12.818 3.302 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -4.277 -12.848 3.426 1.00 1.13 N ATOM 0 H HIS A 80 -4.887 -7.914 -0.130 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.552 -9.091 1.829 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.236 -10.355 0.171 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.743 -9.768 0.876 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -6.857 -11.589 2.203 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -2.681 -11.624 2.552 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -6.285 -13.483 3.792 1.00 1.21 H new ATOM 1237 N MET A 81 -3.829 -7.597 2.887 1.00 0.58 N ATOM 1238 CA MET A 81 -3.149 -7.097 4.073 1.00 0.59 C ATOM 1239 C MET A 81 -4.075 -6.181 4.859 1.00 0.54 C ATOM 1240 O MET A 81 -4.107 -6.209 6.090 1.00 0.58 O ATOM 1241 CB MET A 81 -1.884 -6.333 3.684 1.00 0.64 C ATOM 1242 CG MET A 81 -0.756 -7.220 3.194 1.00 1.25 C ATOM 1243 SD MET A 81 0.021 -8.150 4.528 1.00 1.51 S ATOM 1244 CE MET A 81 0.705 -6.823 5.521 1.00 1.09 C ATOM 0 H MET A 81 -3.419 -7.290 2.005 1.00 0.58 H new ATOM 0 HA MET A 81 -2.871 -7.949 4.694 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.132 -5.613 2.904 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.536 -5.763 4.545 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.142 -7.915 2.448 1.00 1.25 H new ATOM 0 HG3 MET A 81 -0.004 -6.606 2.698 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.494 -7.217 6.161 1.00 1.09 H new ATOM 0 HE2 MET A 81 1.118 -6.055 4.867 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.081 -6.389 6.139 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.842 -5.388 4.128 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.775 -4.449 4.725 1.00 0.51 C ATOM 1256 C LEU A 82 -6.935 -5.172 5.404 1.00 0.56 C ATOM 1257 O LEU A 82 -7.406 -4.748 6.457 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.304 -3.498 3.655 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.253 -2.594 3.009 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.784 -2.000 1.716 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.833 -1.491 3.964 1.00 0.49 C ATOM 0 H LEU A 82 -4.835 -5.378 3.108 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.244 -3.880 5.488 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.783 -4.087 2.873 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.076 -2.870 4.100 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.377 -3.201 2.779 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.023 -1.360 1.270 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.034 -2.803 1.023 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.677 -1.411 1.926 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.085 -0.860 3.484 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.702 -0.888 4.228 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.410 -1.933 4.867 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.386 -6.270 4.803 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.493 -7.043 5.358 1.00 0.70 C ATOM 1275 C GLU A 83 -8.014 -7.923 6.515 1.00 0.68 C ATOM 1276 O GLU A 83 -8.818 -8.406 7.316 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.159 -7.900 4.268 1.00 0.85 C ATOM 1278 CG GLU A 83 -8.464 -9.228 4.005 1.00 1.15 C ATOM 1279 CD GLU A 83 -9.084 -10.000 2.860 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -10.318 -9.914 2.677 1.00 1.45 O ATOM 1281 OE2 GLU A 83 -8.340 -10.694 2.130 1.00 1.46 O ATOM 0 H GLU A 83 -7.003 -6.643 3.934 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.234 -6.343 5.744 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -10.192 -8.095 4.556 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.189 -7.329 3.340 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -7.412 -9.045 3.786 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.500 -9.837 4.909 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.704 -8.128 6.591 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.115 -8.946 7.642 1.00 0.69 C ATOM 1290 C LYS A 84 -5.991 -8.155 8.936 1.00 0.68 C ATOM 1291 O LYS A 84 -6.500 -8.570 9.980 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.739 -9.470 7.210 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.964 -10.164 8.321 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.754 -9.345 8.750 1.00 1.43 C ATOM 1295 CE LYS A 84 -2.051 -9.967 9.946 1.00 1.94 C ATOM 1296 NZ LYS A 84 -2.779 -9.724 11.221 1.00 2.33 N ATOM 0 H LYS A 84 -6.028 -7.737 5.934 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.774 -9.796 7.818 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.871 -10.167 6.383 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.146 -8.637 6.833 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.619 -10.325 9.178 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -3.638 -11.147 7.980 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.055 -9.265 7.918 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -3.070 -8.332 8.999 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -1.950 -11.041 9.787 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -1.043 -9.560 10.023 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -2.464 -10.409 11.937 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -2.582 -8.759 11.555 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.801 -9.833 11.063 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.326 -7.013 8.865 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.128 -6.184 10.041 1.00 0.96 C ATOM 1312 C GLU A 85 -6.406 -5.439 10.406 1.00 0.93 C ATOM 1313 O GLU A 85 -7.028 -4.799 9.559 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.986 -5.197 9.813 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.058 -5.068 11.006 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.437 -6.394 11.395 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -3.120 -7.206 12.048 1.00 1.60 O ATOM 1318 OE2 GLU A 85 -1.258 -6.627 11.061 1.00 1.49 O ATOM 0 H GLU A 85 -4.916 -6.641 8.008 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.865 -6.837 10.873 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.408 -5.514 8.945 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.403 -4.218 9.578 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.268 -4.353 10.774 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.613 -4.666 11.854 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.786 -5.524 11.672 1.00 1.07 N ATOM 1326 CA ASP A 86 -7.993 -4.870 12.163 1.00 1.10 C ATOM 1327 C ASP A 86 -7.866 -3.355 12.058 1.00 1.02 C ATOM 1328 O ASP A 86 -8.810 -2.671 11.658 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.262 -5.281 13.612 1.00 1.36 C ATOM 1330 CG ASP A 86 -9.467 -4.580 14.200 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -10.596 -5.071 14.008 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -9.291 -3.538 14.864 1.00 2.27 O ATOM 0 H ASP A 86 -6.272 -6.043 12.384 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.833 -5.186 11.545 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.415 -6.359 13.658 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -7.384 -5.058 14.218 1.00 1.36 H new ATOM 1337 N SER A 87 -6.690 -2.840 12.399 1.00 1.05 N ATOM 1338 CA SER A 87 -6.429 -1.408 12.339 1.00 1.08 C ATOM 1339 C SER A 87 -6.520 -0.897 10.902 1.00 0.93 C ATOM 1340 O SER A 87 -6.889 0.250 10.659 1.00 0.97 O ATOM 1341 CB SER A 87 -5.043 -1.110 12.908 1.00 1.27 C ATOM 1342 OG SER A 87 -4.691 -2.058 13.903 1.00 1.46 O ATOM 0 H SER A 87 -5.899 -3.397 12.721 1.00 1.05 H new ATOM 0 HA SER A 87 -7.185 -0.896 12.934 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.305 -1.127 12.106 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.028 -0.107 13.334 1.00 1.27 H new ATOM 0 HG SER A 87 -3.800 -1.850 14.253 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.195 -1.764 9.950 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.233 -1.394 8.542 1.00 0.88 C ATOM 1350 C TYR A 88 -7.671 -1.385 8.038 1.00 0.89 C ATOM 1351 O TYR A 88 -8.042 -0.549 7.217 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.390 -2.360 7.700 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.894 -2.302 7.972 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.379 -1.604 9.060 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.994 -2.962 7.139 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.022 -1.563 9.307 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.635 -2.925 7.384 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.157 -2.226 8.466 1.00 0.93 C ATOM 1359 OH TYR A 88 0.194 -2.190 8.715 1.00 1.00 O ATOM 0 H TYR A 88 -5.903 -2.725 10.128 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.813 -0.393 8.443 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.739 -3.377 7.880 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.562 -2.146 6.645 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.054 -1.084 9.724 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.365 -3.512 6.287 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.641 -1.014 10.155 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.951 -3.443 6.728 1.00 0.97 H new ATOM 0 HH TYR A 88 0.667 -2.708 8.030 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.481 -2.304 8.560 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.890 -2.418 8.171 1.00 1.18 C ATOM 1371 C GLN A 89 -10.688 -1.179 8.572 1.00 1.16 C ATOM 1372 O GLN A 89 -11.799 -0.960 8.085 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.521 -3.660 8.802 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.111 -4.961 8.130 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.551 -6.177 8.916 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -9.693 -6.651 9.802 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -11.654 -6.690 8.726 1.00 2.33 N flip ATOM 0 H GLN A 89 -8.185 -2.986 9.258 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.920 -2.507 7.085 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.244 -3.702 9.855 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.606 -3.566 8.761 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.542 -5.002 7.130 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.028 -4.980 8.011 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.288 -6.294 8.032 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -11.934 -7.511 9.262 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.127 -0.375 9.465 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.784 0.841 9.918 1.00 1.17 C ATOM 1388 C ASP A 90 -10.916 1.830 8.765 1.00 1.09 C ATOM 1389 O ASP A 90 -11.992 2.372 8.519 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.997 1.476 11.064 1.00 1.18 C ATOM 1391 CG ASP A 90 -10.605 2.784 11.535 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -11.629 2.747 12.242 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -10.048 3.854 11.217 1.00 2.03 O ATOM 0 H ASP A 90 -9.216 -0.545 9.890 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.780 0.583 10.278 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -9.953 0.778 11.900 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -8.971 1.652 10.741 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.823 2.037 8.045 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.816 2.960 6.916 1.00 0.79 C ATOM 1400 C VAL A 91 -10.070 2.229 5.600 1.00 0.73 C ATOM 1401 O VAL A 91 -10.561 2.816 4.634 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.488 3.741 6.826 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.466 4.866 7.849 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.297 2.816 7.030 1.00 0.78 C ATOM 0 H VAL A 91 -8.929 1.579 8.221 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.625 3.671 7.087 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.415 4.173 5.828 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.523 5.408 7.774 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -9.294 5.549 7.657 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.565 4.449 8.851 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.374 3.391 6.962 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.362 2.350 8.013 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.301 2.043 6.261 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.733 0.949 5.564 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.940 0.140 4.373 1.00 0.71 C ATOM 1416 C TYR A 92 -11.406 -0.244 4.260 1.00 0.80 C ATOM 1417 O TYR A 92 -11.955 -0.905 5.141 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.058 -1.115 4.418 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.505 -2.230 3.492 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.440 -2.089 2.109 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.987 -3.431 4.003 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.841 -3.109 1.268 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.390 -4.453 3.167 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.315 -4.288 1.802 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.719 -5.305 0.968 1.00 1.14 O ATOM 0 H TYR A 92 -9.314 0.447 6.347 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.659 0.723 3.496 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.036 -0.835 4.162 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.039 -1.494 5.440 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -9.070 -1.167 1.686 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.047 -3.566 5.073 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.783 -2.983 0.197 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.763 -5.378 3.582 1.00 1.02 H new ATOM 0 HH TYR A 92 -11.025 -6.066 1.504 1.00 1.14 H new ATOM 1435 N LEU A 93 -12.040 0.196 3.191 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.446 -0.104 2.963 1.00 0.84 C ATOM 1437 C LEU A 93 -13.601 -1.113 1.832 1.00 1.05 C ATOM 1438 O LEU A 93 -14.484 -1.970 1.867 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.236 1.176 2.652 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.927 1.859 1.311 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -15.003 2.874 0.974 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -12.568 2.537 1.350 1.00 1.42 C ATOM 0 H LEU A 93 -11.606 0.764 2.463 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.851 -0.541 3.876 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -15.299 0.936 2.677 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.053 1.894 3.452 1.00 0.87 H new ATOM 0 HG LEU A 93 -13.909 1.092 0.537 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.769 3.349 0.021 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -15.968 2.371 0.902 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.046 3.632 1.756 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -12.371 3.014 0.390 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -12.560 3.291 2.137 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -11.796 1.794 1.551 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.721 -1.021 0.842 1.00 1.78 N ATOM 1455 CA GLY A 94 -12.782 -1.924 -0.287 1.00 2.31 C ATOM 1456 C GLY A 94 -13.937 -1.593 -1.208 1.00 3.01 C ATOM 1457 O GLY A 94 -13.894 -0.599 -1.932 1.00 3.64 O ATOM 0 H GLY A 94 -11.966 -0.336 0.803 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -11.847 -1.873 -0.844 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -12.885 -2.948 0.072 1.00 2.31 H new ATOM 1461 N LEU A 95 -14.973 -2.410 -1.170 1.00 3.25 N ATOM 1462 CA LEU A 95 -16.140 -2.194 -2.003 1.00 3.98 C ATOM 1463 C LEU A 95 -17.367 -1.974 -1.129 1.00 3.60 C ATOM 1464 O LEU A 95 -17.544 -2.647 -0.112 1.00 3.99 O ATOM 1465 CB LEU A 95 -16.358 -3.387 -2.939 1.00 4.97 C ATOM 1466 CG LEU A 95 -16.298 -3.064 -4.436 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -14.943 -2.483 -4.814 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -16.584 -4.307 -5.262 1.00 6.50 C ATOM 0 H LEU A 95 -15.030 -3.232 -0.569 1.00 3.25 H new ATOM 0 HA LEU A 95 -15.977 -1.305 -2.613 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -15.606 -4.144 -2.717 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -17.330 -3.828 -2.718 1.00 4.97 H new ATOM 0 HG LEU A 95 -17.063 -2.317 -4.649 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -14.927 -2.263 -5.881 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -14.771 -1.566 -4.251 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -14.160 -3.204 -4.580 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -16.537 -4.058 -6.322 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -15.842 -5.073 -5.036 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -17.578 -4.683 -5.021 1.00 6.50 H new ATOM 1480 N GLU A 96 -18.200 -1.020 -1.515 1.00 3.30 N ATOM 1481 CA GLU A 96 -19.411 -0.707 -0.766 1.00 3.30 C ATOM 1482 C GLU A 96 -20.555 -1.599 -1.226 1.00 3.83 C ATOM 1483 O GLU A 96 -21.586 -1.713 -0.559 1.00 4.33 O ATOM 1484 CB GLU A 96 -19.784 0.762 -0.958 1.00 3.38 C ATOM 1485 CG GLU A 96 -18.653 1.724 -0.642 1.00 3.76 C ATOM 1486 CD GLU A 96 -18.948 3.131 -1.113 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.912 3.371 -2.337 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -19.222 4.003 -0.264 1.00 5.15 O ATOM 0 H GLU A 96 -18.060 -0.446 -2.346 1.00 3.30 H new ATOM 0 HA GLU A 96 -19.225 -0.888 0.293 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -20.102 0.915 -1.989 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -20.638 0.997 -0.322 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -18.476 1.733 0.434 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -17.736 1.370 -1.113 1.00 3.76 H new ATOM 1495 N HIS A 97 -20.369 -2.215 -2.382 1.00 4.10 N ATOM 1496 CA HIS A 97 -21.362 -3.109 -2.946 1.00 4.81 C ATOM 1497 C HIS A 97 -20.690 -4.098 -3.891 1.00 4.91 C ATOM 1498 O HIS A 97 -19.699 -3.761 -4.534 1.00 5.78 O ATOM 1499 CB HIS A 97 -22.431 -2.306 -3.691 1.00 5.50 C ATOM 1500 CG HIS A 97 -23.585 -3.133 -4.158 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -23.660 -3.674 -5.421 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -24.710 -3.523 -3.517 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -24.780 -4.358 -5.539 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -25.436 -4.281 -4.398 1.00 5.53 N ATOM 0 H HIS A 97 -19.530 -2.109 -2.952 1.00 4.10 H new ATOM 0 HA HIS A 97 -21.842 -3.662 -2.139 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -22.802 -1.517 -3.037 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -21.973 -1.818 -4.551 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -24.985 -3.282 -2.501 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -25.105 -4.891 -6.420 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -26.338 -4.715 -4.203 1.00 5.53 H new ATOM 1513 N HIS A 98 -21.216 -5.315 -3.952 1.00 4.24 N ATOM 1514 CA HIS A 98 -20.672 -6.344 -4.828 1.00 4.57 C ATOM 1515 C HIS A 98 -20.755 -5.891 -6.279 1.00 5.57 C ATOM 1516 O HIS A 98 -21.839 -5.594 -6.786 1.00 6.29 O ATOM 1517 CB HIS A 98 -21.437 -7.656 -4.642 1.00 4.01 C ATOM 1518 CG HIS A 98 -20.664 -8.867 -5.061 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -20.908 -9.552 -6.232 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -19.649 -9.521 -4.451 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -20.074 -10.572 -6.324 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -19.301 -10.575 -5.257 1.00 5.02 N ATOM 0 H HIS A 98 -22.022 -5.614 -3.403 1.00 4.24 H new ATOM 0 HA HIS A 98 -19.626 -6.509 -4.569 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -21.716 -7.758 -3.593 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -22.363 -7.611 -5.215 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -19.197 -9.262 -3.505 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -20.033 -11.283 -7.136 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -18.563 -11.252 -5.062 1.00 5.02 H new ATOM 1531 N HIS A 99 -19.610 -5.820 -6.936 1.00 5.88 N ATOM 1532 CA HIS A 99 -19.557 -5.389 -8.323 1.00 7.00 C ATOM 1533 C HIS A 99 -18.804 -6.407 -9.170 1.00 7.19 C ATOM 1534 O HIS A 99 -17.690 -6.804 -8.832 1.00 6.84 O ATOM 1535 CB HIS A 99 -18.880 -4.019 -8.416 1.00 7.91 C ATOM 1536 CG HIS A 99 -18.949 -3.393 -9.776 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -17.864 -2.812 -10.394 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -19.984 -3.261 -10.639 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -18.228 -2.346 -11.574 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -19.508 -2.607 -11.747 1.00 10.32 N ATOM 0 H HIS A 99 -18.704 -6.055 -6.531 1.00 5.88 H new ATOM 0 HA HIS A 99 -20.575 -5.310 -8.705 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -19.344 -3.347 -7.694 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -17.834 -4.122 -8.128 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -20.996 -3.606 -10.484 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -17.586 -1.837 -12.278 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -20.056 -2.362 -12.572 1.00 10.32 H new ATOM 1549 N HIS A 100 -19.428 -6.839 -10.254 1.00 7.91 N ATOM 1550 CA HIS A 100 -18.814 -7.811 -11.148 1.00 8.32 C ATOM 1551 C HIS A 100 -17.679 -7.165 -11.935 1.00 8.49 C ATOM 1552 O HIS A 100 -17.814 -6.042 -12.426 1.00 8.85 O ATOM 1553 CB HIS A 100 -19.862 -8.396 -12.102 1.00 8.84 C ATOM 1554 CG HIS A 100 -19.569 -9.801 -12.528 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -20.174 -10.906 -11.963 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -18.734 -10.282 -13.479 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -19.722 -11.999 -12.545 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -18.850 -11.646 -13.468 1.00 10.32 N ATOM 0 H HIS A 100 -20.359 -6.533 -10.537 1.00 7.91 H new ATOM 0 HA HIS A 100 -18.401 -8.622 -10.548 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -20.838 -8.369 -11.617 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -19.928 -7.763 -12.987 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -18.095 -9.698 -14.126 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -20.016 -13.010 -12.306 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -18.342 -12.287 -14.077 1.00 10.32 H new ATOM 1567 N HIS A 101 -16.561 -7.873 -12.037 1.00 8.41 N ATOM 1568 CA HIS A 101 -15.399 -7.374 -12.762 1.00 8.73 C ATOM 1569 C HIS A 101 -15.707 -7.226 -14.248 1.00 9.24 C ATOM 1570 O HIS A 101 -16.640 -7.846 -14.764 1.00 9.03 O ATOM 1571 CB HIS A 101 -14.179 -8.287 -12.546 1.00 8.88 C ATOM 1572 CG HIS A 101 -14.316 -9.680 -13.100 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -14.672 -10.771 -12.334 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -14.126 -10.155 -14.355 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -14.688 -11.854 -13.092 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -14.361 -11.504 -14.321 1.00 9.49 N ATOM 0 H HIS A 101 -16.434 -8.798 -11.625 1.00 8.41 H new ATOM 0 HA HIS A 101 -15.156 -6.388 -12.366 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -13.308 -7.816 -13.001 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -13.982 -8.356 -11.476 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -13.842 -9.577 -15.222 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -14.928 -12.854 -12.762 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -14.294 -12.137 -15.118 1.00 9.49 H new ATOM 1585 N HIS A 102 -14.921 -6.403 -14.924 1.00 10.03 N ATOM 1586 CA HIS A 102 -15.105 -6.164 -16.349 1.00 10.75 C ATOM 1587 C HIS A 102 -14.550 -7.330 -17.159 1.00 11.48 C ATOM 1588 O HIS A 102 -15.349 -8.157 -17.641 1.00 11.72 O ATOM 1589 CB HIS A 102 -14.422 -4.861 -16.775 1.00 11.25 C ATOM 1590 CG HIS A 102 -15.039 -3.629 -16.192 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -16.395 -3.463 -16.027 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -14.468 -2.490 -15.737 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -16.630 -2.279 -15.495 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -15.477 -1.665 -15.309 1.00 12.14 N ATOM 1595 OXT HIS A 102 -13.311 -7.429 -17.291 1.00 11.93 O ATOM 0 H HIS A 102 -14.146 -5.887 -14.508 1.00 10.03 H new ATOM 0 HA HIS A 102 -16.174 -6.075 -16.542 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -13.372 -4.901 -16.484 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -14.448 -4.788 -17.862 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -13.411 -2.270 -15.715 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -17.603 -1.879 -15.252 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -15.356 -0.733 -14.913 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -1.862 -13.819 -1.051 1.00 1.26 N HETATM 1606 C2A ACO A 103 -1.894 -12.538 -0.506 1.00 1.17 C HETATM 1607 N3A ACO A 103 -1.139 -12.275 0.634 1.00 1.07 N HETATM 1608 C4A ACO A 103 -0.396 -13.258 1.179 1.00 1.07 C HETATM 1609 C5A ACO A 103 -0.381 -14.484 0.640 1.00 1.24 C HETATM 1610 C6A ACO A 103 -1.102 -14.755 -0.459 1.00 1.33 C HETATM 1611 N6A ACO A 103 -1.027 -15.998 -0.933 1.00 1.58 N HETATM 1612 N7A ACO A 103 0.427 -15.244 1.378 1.00 1.38 N HETATM 1613 C8A ACO A 103 0.907 -14.497 2.368 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.402 -13.276 2.241 1.00 1.07 N HETATM 1615 C1B ACO A 103 0.699 -12.119 3.113 1.00 1.03 C HETATM 1616 C2B ACO A 103 0.491 -12.413 4.585 1.00 1.11 C HETATM 1617 O2B ACO A 103 -0.838 -12.038 4.988 1.00 1.48 O HETATM 1618 C3B ACO A 103 1.519 -11.533 5.273 1.00 1.01 C HETATM 1619 O3B ACO A 103 0.866 -10.514 6.041 1.00 1.23 O HETATM 1620 P3B ACO A 103 0.983 -10.510 7.645 1.00 1.16 P HETATM 1621 O7A ACO A 103 -0.201 -11.469 8.167 1.00 1.71 O HETATM 1622 O8A ACO A 103 0.647 -9.022 8.148 1.00 1.81 O HETATM 1623 O9A ACO A 103 2.309 -10.965 8.112 1.00 2.04 O HETATM 1624 C4B ACO A 103 2.298 -10.902 4.130 1.00 1.04 C HETATM 1625 O4B ACO A 103 2.088 -11.775 3.014 1.00 1.04 O HETATM 1626 C5B ACO A 103 3.774 -10.812 4.478 1.00 1.18 C HETATM 1627 O5B ACO A 103 4.541 -10.601 3.289 1.00 1.28 O HETATM 1628 P1A ACO A 103 6.129 -10.862 3.301 1.00 1.52 P HETATM 1629 O1A ACO A 103 6.729 -10.186 4.471 1.00 2.30 O HETATM 1630 O2A ACO A 103 6.399 -12.314 3.148 1.00 2.20 O HETATM 1631 O3A ACO A 103 6.641 -10.137 1.963 1.00 1.44 O HETATM 1632 P2A ACO A 103 6.294 -8.587 1.708 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.447 -7.908 1.056 1.00 2.35 O HETATM 1634 O5A ACO A 103 5.765 -7.977 2.949 1.00 2.24 O HETATM 1635 O6A ACO A 103 5.110 -8.650 0.621 1.00 1.29 O HETATM 1636 CBP ACO A 103 5.307 -8.592 -1.812 1.00 0.94 C HETATM 1637 CCP ACO A 103 5.245 -9.465 -0.546 1.00 1.05 C HETATM 1638 CDP ACO A 103 4.184 -9.010 -2.772 1.00 1.01 C HETATM 1639 CEP ACO A 103 5.123 -7.114 -1.430 1.00 0.88 C HETATM 1640 CAP ACO A 103 6.674 -8.785 -2.491 1.00 0.97 C HETATM 1641 OAP ACO A 103 6.994 -10.182 -2.540 1.00 1.11 O HETATM 1642 C9P ACO A 103 6.641 -8.214 -3.917 1.00 0.94 C HETATM 1643 O9P ACO A 103 6.034 -7.177 -4.174 1.00 0.99 O HETATM 1644 N8P ACO A 103 7.323 -8.917 -4.830 1.00 1.53 N HETATM 1645 C7P ACO A 103 7.639 -8.366 -6.154 1.00 1.93 C HETATM 1646 C6P ACO A 103 6.491 -8.654 -7.124 1.00 2.42 C HETATM 1647 C5P ACO A 103 5.462 -7.522 -7.069 1.00 2.41 C HETATM 1648 O5P ACO A 103 5.565 -6.535 -7.798 1.00 3.30 O HETATM 1649 N4P ACO A 103 4.468 -7.696 -6.184 1.00 1.79 N HETATM 1650 C3P ACO A 103 3.708 -8.953 -6.096 1.00 2.18 C HETATM 1651 C2P ACO A 103 2.298 -8.675 -5.575 1.00 2.07 C HETATM 1652 S1P ACO A 103 1.216 -8.020 -6.894 1.00 2.13 S HETATM 1653 C ACO A 103 1.660 -6.297 -6.830 1.00 1.95 C HETATM 1654 O ACO A 103 1.126 -5.458 -5.805 1.00 1.49 O HETATM 1655 CH3 ACO A 103 2.611 -5.715 -7.873 1.00 3.07 C HETATM 0 HO2A ACO A 103 -0.812 -11.163 5.428 1.00 1.48 H new HETATM 0 HH33 ACO A 103 3.568 -6.235 -7.824 1.00 3.07 H new HETATM 0 HH32 ACO A 103 2.181 -5.839 -8.867 1.00 3.07 H new HETATM 0 HH31 ACO A 103 2.764 -4.654 -7.674 1.00 3.07 H new HETATM 0 H62A ACO A 103 -0.442 -16.689 -0.463 1.00 1.58 H new HETATM 0 H61A ACO A 103 -1.555 -16.259 -1.766 1.00 1.58 H new HETATM 0 H52A ACO A 103 3.942 -9.995 5.180 1.00 1.18 H new HETATM 0 H51A ACO A 103 4.097 -11.728 4.972 1.00 1.18 H new HETATM 0 H143 ACO A 103 4.155 -6.981 -0.946 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.916 -6.814 -0.745 1.00 0.88 H new HETATM 0 H141 ACO A 103 5.167 -6.498 -2.328 1.00 0.88 H new HETATM 0 H133 ACO A 103 4.310 -10.058 -3.045 1.00 1.01 H new HETATM 0 H132 ACO A 103 3.219 -8.876 -2.283 1.00 1.01 H new HETATM 0 H131 ACO A 103 4.225 -8.394 -3.670 1.00 1.01 H new HETATM 0 H122 ACO A 103 6.148 -10.071 -0.471 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.404 -10.155 -0.614 1.00 1.05 H new HETATM 0 HO1 ACO A 103 7.959 -10.292 -2.668 1.00 1.11 H new HETATM 0 HN8 ACO A 103 7.632 -9.861 -4.599 1.00 1.53 H new HETATM 0 HN4 ACO A 103 4.232 -6.932 -5.551 1.00 1.79 H new HETATM 0 H8A ACO A 103 1.594 -14.829 3.146 1.00 1.26 H new HETATM 0 H72 ACO A 103 7.804 -7.291 -6.081 1.00 1.93 H new HETATM 0 H71 ACO A 103 8.563 -8.805 -6.530 1.00 1.93 H new HETATM 0 H62 ACO A 103 6.878 -8.756 -8.138 1.00 2.42 H new HETATM 0 H61 ACO A 103 6.016 -9.601 -6.867 1.00 2.42 H new HETATM 0 H4B ACO A 103 1.969 -9.885 3.917 1.00 1.04 H new HETATM 0 H3B ACO A 103 2.155 -12.093 5.959 1.00 1.01 H new HETATM 0 H32 ACO A 103 3.656 -9.426 -7.077 1.00 2.18 H new HETATM 0 H31 ACO A 103 4.219 -9.651 -5.433 1.00 2.18 H new HETATM 0 H2B ACO A 103 0.603 -13.470 4.828 1.00 1.11 H new HETATM 0 H2A ACO A 103 -2.499 -11.755 -0.964 1.00 1.17 H new HETATM 0 H22 ACO A 103 1.869 -9.593 -5.173 1.00 2.07 H new HETATM 0 H21 ACO A 103 2.346 -7.960 -4.754 1.00 2.07 H new HETATM 0 H1B ACO A 103 0.025 -11.331 2.778 1.00 1.03 H new HETATM 0 H10 ACO A 103 7.434 -8.257 -1.915 1.00 0.97 H new