USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 0.849 K(o=2.9,f=-6.2!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= 0.0977 USER MOD Set 1.3: A 61 THR OG1 : rot 83:sc= 1.95 USER MOD Set 2.1: A 28 GLN : amide:sc= 1 K(o=2.3,f=-22!) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.507! C(o=2.3!,f=-21!) USER MOD Set 2.3: A 32 LYS NZ :NH3+ -106:sc= 1.76! (180deg=-2.57!) USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= -0.438 USER MOD Set 3.2: A 69 MET CE :methyl 180:sc= -0.52 (180deg=-0.0854) USER MOD Set 4.1: A 13 SER OG : rot 109:sc= 1.25 USER MOD Set 4.2: A 76 HIS : no HD1:sc= 0.966 K(o=2.2,f=-3.7!) USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 1.1 USER MOD Set 5.2: A 49 THR OG1 : rot 83:sc= 0.764 USER MOD Set 6.1: A 8 ASN : amide:sc= -2.9! C(o=-4.5!,f=-14!) USER MOD Set 6.2: A 52 TYR OH : rot 165:sc= -1.58! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.116 (180deg=-1.28) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -139:sc= -0.326 (180deg=-1.26) USER MOD Single : A 18 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 20 ASN : amide:sc= -2.92! C(o=-2.9!,f=-13!) USER MOD Single : A 34 ASN : amide:sc= 0.284 K(o=0.28,f=-1.2) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -2.44! F(o=-3.7,f=-2.4!) USER MOD Single : A 38 HIS : no HE2:sc= -3.08! C(o=-3.1!,f=-5.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 161:sc= 0.263 USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= 0.569 (180deg=-1.23!) USER MOD Single : A 47 ASN : amide:sc= -0.51 K(o=-0.51,f=-4.8!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0.71 (180deg=0.586) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= 0.464 (180deg=-0.497) USER MOD Single : A 63 GLN : amide:sc= -2.43! C(o=-2.4!,f=-9.2!) USER MOD Single : A 77 ASN : amide:sc= 0.0154! C(o=0.015!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.445 -14.211 -3.552 1.00 0.00 N ATOM 2 CA MET A 1 -5.315 -14.059 -2.580 1.00 0.00 C ATOM 3 C MET A 1 -4.164 -15.013 -2.943 1.00 0.00 C ATOM 4 O MET A 1 -3.498 -15.552 -2.078 1.00 0.00 O ATOM 5 CB MET A 1 -5.912 -14.413 -1.212 1.00 0.00 C ATOM 6 CG MET A 1 -6.689 -13.210 -0.664 1.00 0.00 C ATOM 7 SD MET A 1 -7.366 -13.617 0.963 1.00 0.00 S ATOM 8 CE MET A 1 -8.764 -12.466 0.917 1.00 0.00 C ATOM 0 H1 MET A 1 -7.350 -14.083 -3.055 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.357 -13.495 -4.302 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.414 -15.161 -3.975 1.00 0.00 H new ATOM 0 HA MET A 1 -4.897 -13.052 -2.587 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.573 -15.275 -1.304 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.119 -14.693 -0.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.032 -12.343 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.494 -12.942 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.334 -12.549 1.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.393 -11.447 0.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.408 -12.709 0.071 1.00 0.00 H new ATOM 20 N ASP A 2 -3.936 -15.236 -4.218 1.00 0.00 N ATOM 21 CA ASP A 2 -2.841 -16.168 -4.636 1.00 0.00 C ATOM 22 C ASP A 2 -2.030 -15.614 -5.826 1.00 0.00 C ATOM 23 O ASP A 2 -1.603 -16.374 -6.679 1.00 0.00 O ATOM 24 CB ASP A 2 -3.570 -17.470 -5.028 1.00 0.00 C ATOM 25 CG ASP A 2 -4.747 -17.738 -4.080 1.00 0.00 C ATOM 26 OD1 ASP A 2 -5.811 -17.176 -4.306 1.00 0.00 O ATOM 27 OD2 ASP A 2 -4.562 -18.496 -3.145 1.00 0.00 O ATOM 0 H ASP A 2 -4.460 -14.813 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.115 -16.315 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.932 -17.396 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.873 -18.307 -4.996 1.00 0.00 H new ATOM 32 N PRO A 3 -1.790 -14.315 -5.837 1.00 0.00 N ATOM 33 CA PRO A 3 -0.973 -13.722 -6.923 1.00 0.00 C ATOM 34 C PRO A 3 0.518 -14.014 -6.663 1.00 0.00 C ATOM 35 O PRO A 3 1.371 -13.697 -7.468 1.00 0.00 O ATOM 36 CB PRO A 3 -1.254 -12.229 -6.819 1.00 0.00 C ATOM 37 CG PRO A 3 -1.651 -12.007 -5.394 1.00 0.00 C ATOM 38 CD PRO A 3 -2.238 -13.296 -4.878 1.00 0.00 C ATOM 0 HA PRO A 3 -1.209 -14.120 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.373 -11.643 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.049 -11.929 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -0.787 -11.714 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.378 -11.199 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.886 -13.517 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.326 -13.246 -4.831 1.00 0.00 H new ATOM 46 N SER A 4 0.835 -14.608 -5.530 1.00 0.00 N ATOM 47 CA SER A 4 2.265 -14.917 -5.215 1.00 0.00 C ATOM 48 C SER A 4 2.405 -16.273 -4.493 1.00 0.00 C ATOM 49 O SER A 4 3.476 -16.611 -4.026 1.00 0.00 O ATOM 50 CB SER A 4 2.722 -13.774 -4.307 1.00 0.00 C ATOM 51 OG SER A 4 3.388 -12.787 -5.088 1.00 0.00 O ATOM 0 H SER A 4 0.164 -14.890 -4.815 1.00 0.00 H new ATOM 0 HA SER A 4 2.867 -14.996 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.864 -13.334 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.390 -14.154 -3.534 1.00 0.00 H new ATOM 0 HG SER A 4 3.680 -12.053 -4.508 1.00 0.00 H new ATOM 57 N MET A 5 1.339 -17.055 -4.408 1.00 0.00 N ATOM 58 CA MET A 5 1.400 -18.402 -3.729 1.00 0.00 C ATOM 59 C MET A 5 1.746 -18.285 -2.230 1.00 0.00 C ATOM 60 O MET A 5 0.970 -18.685 -1.385 1.00 0.00 O ATOM 61 CB MET A 5 2.477 -19.195 -4.485 1.00 0.00 C ATOM 62 CG MET A 5 2.131 -19.235 -5.977 1.00 0.00 C ATOM 63 SD MET A 5 2.310 -20.930 -6.592 1.00 0.00 S ATOM 64 CE MET A 5 3.442 -20.563 -7.955 1.00 0.00 C ATOM 0 H MET A 5 0.422 -16.813 -4.784 1.00 0.00 H new ATOM 0 HA MET A 5 0.430 -18.898 -3.762 1.00 0.00 H new ATOM 0 HB2 MET A 5 3.453 -18.732 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 5 2.542 -20.208 -4.089 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.111 -18.885 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 5 2.787 -18.564 -6.532 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.689 -21.485 -8.481 1.00 0.00 H new ATOM 0 HE2 MET A 5 2.966 -19.867 -8.646 1.00 0.00 H new ATOM 0 HE3 MET A 5 4.354 -20.115 -7.560 1.00 0.00 H new ATOM 74 N GLY A 6 2.896 -17.754 -1.895 1.00 0.00 N ATOM 75 CA GLY A 6 3.279 -17.627 -0.448 1.00 0.00 C ATOM 76 C GLY A 6 2.776 -16.293 0.118 1.00 0.00 C ATOM 77 O GLY A 6 2.370 -16.211 1.264 1.00 0.00 O ATOM 0 H GLY A 6 3.587 -17.402 -2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.856 -18.455 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.362 -17.689 -0.344 1.00 0.00 H new ATOM 81 N VAL A 7 2.800 -15.254 -0.676 1.00 0.00 N ATOM 82 CA VAL A 7 2.317 -13.915 -0.200 1.00 0.00 C ATOM 83 C VAL A 7 1.304 -13.331 -1.199 1.00 0.00 C ATOM 84 O VAL A 7 0.858 -14.004 -2.109 1.00 0.00 O ATOM 85 CB VAL A 7 3.565 -13.013 -0.105 1.00 0.00 C ATOM 86 CG1 VAL A 7 4.357 -13.348 1.159 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.470 -13.209 -1.327 1.00 0.00 C ATOM 0 H VAL A 7 3.134 -15.272 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 7 1.814 -13.992 0.764 1.00 0.00 H new ATOM 0 HB VAL A 7 3.232 -11.976 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.236 -12.707 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.730 -13.185 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.671 -14.391 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.344 -12.564 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.791 -14.249 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.919 -12.954 -2.232 1.00 0.00 H new ATOM 97 N ASN A 8 0.935 -12.087 -1.030 1.00 0.00 N ATOM 98 CA ASN A 8 -0.049 -11.448 -1.957 1.00 0.00 C ATOM 99 C ASN A 8 0.488 -10.100 -2.460 1.00 0.00 C ATOM 100 O ASN A 8 1.376 -9.518 -1.869 1.00 0.00 O ATOM 101 CB ASN A 8 -1.306 -11.237 -1.105 1.00 0.00 C ATOM 102 CG ASN A 8 -2.546 -11.609 -1.914 1.00 0.00 C ATOM 103 OD1 ASN A 8 -2.801 -12.768 -2.145 1.00 0.00 O ATOM 104 ND2 ASN A 8 -3.335 -10.674 -2.350 1.00 0.00 N ATOM 0 H ASN A 8 1.276 -11.481 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.244 -12.059 -2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.252 -11.847 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.368 -10.197 -0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.168 -10.918 -2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.122 -9.695 -2.156 1.00 0.00 H new ATOM 111 N SER A 9 -0.061 -9.594 -3.533 1.00 0.00 N ATOM 112 CA SER A 9 0.394 -8.273 -4.073 1.00 0.00 C ATOM 113 C SER A 9 -0.782 -7.297 -4.081 1.00 0.00 C ATOM 114 O SER A 9 -1.853 -7.612 -4.561 1.00 0.00 O ATOM 115 CB SER A 9 0.881 -8.560 -5.495 1.00 0.00 C ATOM 116 OG SER A 9 2.251 -8.195 -5.604 1.00 0.00 O ATOM 0 H SER A 9 -0.810 -10.040 -4.063 1.00 0.00 H new ATOM 0 HA SER A 9 1.184 -7.822 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.754 -9.617 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.285 -8.000 -6.216 1.00 0.00 H new ATOM 0 HG SER A 9 2.567 -8.379 -6.513 1.00 0.00 H new ATOM 122 N VAL A 10 -0.603 -6.127 -3.523 1.00 0.00 N ATOM 123 CA VAL A 10 -1.733 -5.152 -3.469 1.00 0.00 C ATOM 124 C VAL A 10 -1.392 -3.838 -4.173 1.00 0.00 C ATOM 125 O VAL A 10 -0.341 -3.253 -3.967 1.00 0.00 O ATOM 126 CB VAL A 10 -1.998 -4.936 -1.965 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.113 -3.442 -1.632 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.313 -5.614 -1.595 1.00 0.00 C ATOM 0 H VAL A 10 0.271 -5.806 -3.105 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.613 -5.529 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.165 -5.359 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.300 -3.320 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.184 -2.937 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.937 -3.006 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.511 -5.468 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.124 -5.178 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.245 -6.681 -1.808 1.00 0.00 H new ATOM 138 N THR A 11 -2.302 -3.366 -4.982 1.00 0.00 N ATOM 139 CA THR A 11 -2.094 -2.083 -5.698 1.00 0.00 C ATOM 140 C THR A 11 -3.118 -1.058 -5.202 1.00 0.00 C ATOM 141 O THR A 11 -4.317 -1.273 -5.274 1.00 0.00 O ATOM 142 CB THR A 11 -2.296 -2.419 -7.174 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.199 -3.212 -7.620 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.359 -1.134 -7.993 1.00 0.00 C ATOM 0 H THR A 11 -3.192 -3.825 -5.177 1.00 0.00 H new ATOM 0 HA THR A 11 -1.109 -1.648 -5.530 1.00 0.00 H new ATOM 0 HB THR A 11 -3.229 -2.968 -7.300 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.320 -3.434 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.503 -1.380 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.191 -0.522 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.427 -0.581 -7.874 1.00 0.00 H new ATOM 152 N ILE A 12 -2.653 0.041 -4.680 1.00 0.00 N ATOM 153 CA ILE A 12 -3.593 1.073 -4.158 1.00 0.00 C ATOM 154 C ILE A 12 -3.444 2.396 -4.914 1.00 0.00 C ATOM 155 O ILE A 12 -2.353 2.902 -5.116 1.00 0.00 O ATOM 156 CB ILE A 12 -3.249 1.237 -2.663 1.00 0.00 C ATOM 157 CG1 ILE A 12 -4.128 2.336 -2.051 1.00 0.00 C ATOM 158 CG2 ILE A 12 -1.776 1.620 -2.486 1.00 0.00 C ATOM 159 CD1 ILE A 12 -4.076 2.253 -0.522 1.00 0.00 C ATOM 0 H ILE A 12 -1.663 0.270 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.631 0.770 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.432 0.287 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.784 3.316 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.156 2.225 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.554 1.731 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.144 0.840 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.581 2.562 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.702 3.036 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.441 1.278 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.048 2.386 -0.185 1.00 0.00 H new ATOM 171 N SER A 13 -4.550 2.962 -5.322 1.00 0.00 N ATOM 172 CA SER A 13 -4.507 4.271 -6.047 1.00 0.00 C ATOM 173 C SER A 13 -4.275 5.387 -5.022 1.00 0.00 C ATOM 174 O SER A 13 -5.031 5.529 -4.077 1.00 0.00 O ATOM 175 CB SER A 13 -5.879 4.410 -6.711 1.00 0.00 C ATOM 176 OG SER A 13 -6.086 3.311 -7.595 1.00 0.00 O ATOM 0 H SER A 13 -5.484 2.575 -5.185 1.00 0.00 H new ATOM 0 HA SER A 13 -3.710 4.328 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.662 4.435 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.937 5.350 -7.260 1.00 0.00 H new ATOM 0 HG SER A 13 -6.769 2.716 -7.222 1.00 0.00 H new ATOM 182 N VAL A 14 -3.222 6.153 -5.172 1.00 0.00 N ATOM 183 CA VAL A 14 -2.936 7.222 -4.173 1.00 0.00 C ATOM 184 C VAL A 14 -2.763 8.589 -4.842 1.00 0.00 C ATOM 185 O VAL A 14 -1.899 8.775 -5.675 1.00 0.00 O ATOM 186 CB VAL A 14 -1.631 6.817 -3.457 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.775 7.103 -1.964 1.00 0.00 C ATOM 188 CG2 VAL A 14 -1.331 5.323 -3.650 1.00 0.00 C ATOM 0 H VAL A 14 -2.553 6.083 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.768 7.317 -3.476 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.810 7.393 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.857 6.820 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.962 8.166 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.609 6.527 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.405 5.068 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.150 4.732 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.225 5.108 -4.713 1.00 0.00 H new ATOM 198 N GLU A 15 -3.567 9.549 -4.467 1.00 0.00 N ATOM 199 CA GLU A 15 -3.448 10.909 -5.067 1.00 0.00 C ATOM 200 C GLU A 15 -2.894 11.906 -4.038 1.00 0.00 C ATOM 201 O GLU A 15 -2.983 11.699 -2.842 1.00 0.00 O ATOM 202 CB GLU A 15 -4.875 11.292 -5.480 1.00 0.00 C ATOM 203 CG GLU A 15 -4.896 12.711 -6.079 1.00 0.00 C ATOM 204 CD GLU A 15 -3.960 12.800 -7.289 1.00 0.00 C ATOM 205 OE1 GLU A 15 -4.412 12.515 -8.386 1.00 0.00 O ATOM 206 OE2 GLU A 15 -2.809 13.161 -7.099 1.00 0.00 O ATOM 0 H GLU A 15 -4.303 9.448 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.763 10.923 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.254 10.576 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.536 11.245 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.912 12.970 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.592 13.435 -5.323 1.00 0.00 H new ATOM 213 N GLY A 16 -2.327 12.992 -4.506 1.00 0.00 N ATOM 214 CA GLY A 16 -1.768 14.027 -3.579 1.00 0.00 C ATOM 215 C GLY A 16 -0.272 13.792 -3.321 1.00 0.00 C ATOM 216 O GLY A 16 0.311 14.430 -2.460 1.00 0.00 O ATOM 0 H GLY A 16 -2.227 13.207 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.915 15.019 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.311 14.004 -2.634 1.00 0.00 H new ATOM 220 N MET A 17 0.365 12.901 -4.055 1.00 0.00 N ATOM 221 CA MET A 17 1.832 12.647 -3.838 1.00 0.00 C ATOM 222 C MET A 17 2.591 13.971 -3.707 1.00 0.00 C ATOM 223 O MET A 17 3.457 14.122 -2.871 1.00 0.00 O ATOM 224 CB MET A 17 2.297 11.872 -5.075 1.00 0.00 C ATOM 225 CG MET A 17 1.925 10.396 -4.922 1.00 0.00 C ATOM 226 SD MET A 17 2.880 9.670 -3.566 1.00 0.00 S ATOM 227 CE MET A 17 1.469 9.125 -2.576 1.00 0.00 C ATOM 0 H MET A 17 -0.066 12.342 -4.791 1.00 0.00 H new ATOM 0 HA MET A 17 2.018 12.089 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.833 12.284 -5.971 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.375 11.975 -5.198 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.858 10.298 -4.723 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.127 9.861 -5.850 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.666 9.323 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.576 9.667 -2.887 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.314 8.056 -2.721 1.00 0.00 H new ATOM 237 N THR A 18 2.251 14.926 -4.524 1.00 0.00 N ATOM 238 CA THR A 18 2.892 16.286 -4.487 1.00 0.00 C ATOM 239 C THR A 18 4.398 16.226 -4.770 1.00 0.00 C ATOM 240 O THR A 18 4.904 16.981 -5.574 1.00 0.00 O ATOM 241 CB THR A 18 2.625 16.833 -3.073 1.00 0.00 C ATOM 242 OG1 THR A 18 1.230 16.793 -2.800 1.00 0.00 O ATOM 243 CG2 THR A 18 3.101 18.283 -2.973 1.00 0.00 C ATOM 0 H THR A 18 1.533 14.825 -5.242 1.00 0.00 H new ATOM 0 HA THR A 18 2.474 16.929 -5.262 1.00 0.00 H new ATOM 0 HB THR A 18 3.165 16.218 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.985 15.900 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.908 18.661 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.170 18.330 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.565 18.893 -3.700 1.00 0.00 H new ATOM 251 N CYS A 19 5.120 15.347 -4.119 1.00 0.00 N ATOM 252 CA CYS A 19 6.594 15.265 -4.359 1.00 0.00 C ATOM 253 C CYS A 19 7.197 14.029 -3.682 1.00 0.00 C ATOM 254 O CYS A 19 6.687 13.556 -2.672 1.00 0.00 O ATOM 255 CB CYS A 19 7.170 16.552 -3.750 1.00 0.00 C ATOM 256 SG CYS A 19 7.221 16.427 -1.941 1.00 0.00 S ATOM 0 H CYS A 19 4.754 14.685 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 19 6.825 15.173 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.174 16.728 -4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 19 6.560 17.406 -4.045 1.00 0.00 H new ATOM 261 N ASN A 20 8.279 13.533 -4.244 1.00 0.00 N ATOM 262 CA ASN A 20 9.007 12.323 -3.707 1.00 0.00 C ATOM 263 C ASN A 20 8.858 12.177 -2.187 1.00 0.00 C ATOM 264 O ASN A 20 8.670 11.087 -1.684 1.00 0.00 O ATOM 265 CB ASN A 20 10.484 12.544 -4.084 1.00 0.00 C ATOM 266 CG ASN A 20 10.865 14.031 -3.969 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.494 14.700 -3.024 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.591 14.579 -4.898 1.00 0.00 N ATOM 0 H ASN A 20 8.704 13.929 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 20 8.597 11.406 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.123 11.949 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.659 12.198 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.846 15.564 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.906 14.024 -5.694 1.00 0.00 H new ATOM 275 N SER A 21 8.931 13.259 -1.455 1.00 0.00 N ATOM 276 CA SER A 21 8.779 13.182 0.038 1.00 0.00 C ATOM 277 C SER A 21 7.539 12.342 0.437 1.00 0.00 C ATOM 278 O SER A 21 7.471 11.789 1.520 1.00 0.00 O ATOM 279 CB SER A 21 8.599 14.635 0.493 1.00 0.00 C ATOM 280 OG SER A 21 7.209 14.979 0.474 1.00 0.00 O ATOM 0 H SER A 21 9.090 14.197 -1.824 1.00 0.00 H new ATOM 0 HA SER A 21 9.640 12.700 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.002 14.764 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.158 15.303 -0.162 1.00 0.00 H new ATOM 286 N CYS A 22 6.569 12.235 -0.442 1.00 0.00 N ATOM 287 CA CYS A 22 5.334 11.437 -0.133 1.00 0.00 C ATOM 288 C CYS A 22 5.536 9.985 -0.562 1.00 0.00 C ATOM 289 O CYS A 22 4.920 9.076 -0.043 1.00 0.00 O ATOM 290 CB CYS A 22 4.248 12.135 -0.933 1.00 0.00 C ATOM 291 SG CYS A 22 4.187 13.863 -0.385 1.00 0.00 S ATOM 0 H CYS A 22 6.579 12.668 -1.365 1.00 0.00 H new ATOM 0 HA CYS A 22 5.084 11.395 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.463 12.079 -2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.285 11.649 -0.776 1.00 0.00 H new ATOM 296 N VAL A 23 6.460 9.766 -1.452 1.00 0.00 N ATOM 297 CA VAL A 23 6.795 8.386 -1.873 1.00 0.00 C ATOM 298 C VAL A 23 7.815 7.878 -0.865 1.00 0.00 C ATOM 299 O VAL A 23 7.764 6.745 -0.428 1.00 0.00 O ATOM 300 CB VAL A 23 7.382 8.512 -3.293 1.00 0.00 C ATOM 301 CG1 VAL A 23 8.671 7.690 -3.430 1.00 0.00 C ATOM 302 CG2 VAL A 23 6.366 7.984 -4.300 1.00 0.00 C ATOM 0 H VAL A 23 7.003 10.497 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 23 5.954 7.693 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 23 7.608 9.562 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.065 7.796 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.410 8.049 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.455 6.640 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.774 8.070 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.149 6.938 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.447 8.567 -4.230 1.00 0.00 H new ATOM 312 N TRP A 24 8.712 8.742 -0.440 1.00 0.00 N ATOM 313 CA TRP A 24 9.701 8.313 0.593 1.00 0.00 C ATOM 314 C TRP A 24 8.956 7.978 1.878 1.00 0.00 C ATOM 315 O TRP A 24 9.346 7.111 2.622 1.00 0.00 O ATOM 316 CB TRP A 24 10.630 9.497 0.829 1.00 0.00 C ATOM 317 CG TRP A 24 11.734 9.517 -0.182 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.492 8.463 -0.580 1.00 0.00 C ATOM 319 CD2 TRP A 24 12.215 10.659 -0.914 1.00 0.00 C ATOM 320 NE1 TRP A 24 13.409 8.910 -1.524 1.00 0.00 N ATOM 321 CE2 TRP A 24 13.270 10.264 -1.761 1.00 0.00 C ATOM 322 CE3 TRP A 24 11.820 11.993 -0.916 1.00 0.00 C ATOM 323 CZ2 TRP A 24 13.918 11.184 -2.588 1.00 0.00 C ATOM 324 CZ3 TRP A 24 12.454 12.922 -1.734 1.00 0.00 C ATOM 325 CH2 TRP A 24 13.505 12.525 -2.576 1.00 0.00 C ATOM 0 H TRP A 24 8.798 9.707 -0.759 1.00 0.00 H new ATOM 0 HA TRP A 24 10.264 7.436 0.274 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.063 10.426 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.051 9.440 1.833 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.398 7.448 -0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.097 8.314 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 24 11.011 12.311 -0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 14.727 10.867 -3.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.136 13.954 -1.721 1.00 0.00 H new ATOM 0 HH2 TRP A 24 13.993 13.249 -3.212 1.00 0.00 H new ATOM 336 N THR A 25 7.874 8.665 2.136 1.00 0.00 N ATOM 337 CA THR A 25 7.089 8.382 3.388 1.00 0.00 C ATOM 338 C THR A 25 6.116 7.202 3.186 1.00 0.00 C ATOM 339 O THR A 25 5.746 6.532 4.128 1.00 0.00 O ATOM 340 CB THR A 25 6.331 9.682 3.703 1.00 0.00 C ATOM 341 OG1 THR A 25 6.213 9.815 5.109 1.00 0.00 O ATOM 342 CG2 THR A 25 4.929 9.663 3.086 1.00 0.00 C ATOM 0 H THR A 25 7.497 9.405 1.543 1.00 0.00 H new ATOM 0 HA THR A 25 7.742 8.090 4.211 1.00 0.00 H new ATOM 0 HB THR A 25 6.886 10.520 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.732 10.642 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.414 10.594 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.009 9.559 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.365 8.823 3.491 1.00 0.00 H new ATOM 350 N ILE A 26 5.715 6.937 1.968 1.00 0.00 N ATOM 351 CA ILE A 26 4.769 5.799 1.703 1.00 0.00 C ATOM 352 C ILE A 26 5.555 4.525 1.390 1.00 0.00 C ATOM 353 O ILE A 26 5.157 3.434 1.752 1.00 0.00 O ATOM 354 CB ILE A 26 3.929 6.242 0.493 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.887 7.273 0.941 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.207 5.034 -0.116 1.00 0.00 C ATOM 357 CD1 ILE A 26 1.819 6.589 1.797 1.00 0.00 C ATOM 0 H ILE A 26 6.001 7.459 1.140 1.00 0.00 H new ATOM 0 HA ILE A 26 4.139 5.575 2.564 1.00 0.00 H new ATOM 0 HB ILE A 26 4.590 6.683 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.369 8.068 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.425 7.739 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.615 5.358 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.941 4.297 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.551 4.588 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.080 7.325 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.328 5.810 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.287 6.144 2.675 1.00 0.00 H new ATOM 369 N GLU A 27 6.684 4.662 0.759 1.00 0.00 N ATOM 370 CA GLU A 27 7.519 3.470 0.459 1.00 0.00 C ATOM 371 C GLU A 27 8.246 3.093 1.742 1.00 0.00 C ATOM 372 O GLU A 27 8.420 1.930 2.059 1.00 0.00 O ATOM 373 CB GLU A 27 8.491 3.903 -0.648 1.00 0.00 C ATOM 374 CG GLU A 27 7.700 4.184 -1.935 1.00 0.00 C ATOM 375 CD GLU A 27 8.568 3.906 -3.162 1.00 0.00 C ATOM 376 OE1 GLU A 27 9.592 4.552 -3.295 1.00 0.00 O ATOM 377 OE2 GLU A 27 8.183 3.059 -3.951 1.00 0.00 O ATOM 0 H GLU A 27 7.066 5.551 0.437 1.00 0.00 H new ATOM 0 HA GLU A 27 6.950 2.603 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.037 4.795 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.231 3.122 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.806 3.560 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.365 5.221 -1.945 1.00 0.00 H new ATOM 384 N GLN A 28 8.610 4.085 2.520 1.00 0.00 N ATOM 385 CA GLN A 28 9.264 3.802 3.825 1.00 0.00 C ATOM 386 C GLN A 28 8.203 3.263 4.794 1.00 0.00 C ATOM 387 O GLN A 28 8.494 2.456 5.670 1.00 0.00 O ATOM 388 CB GLN A 28 9.815 5.150 4.291 1.00 0.00 C ATOM 389 CG GLN A 28 10.654 4.970 5.558 1.00 0.00 C ATOM 390 CD GLN A 28 10.194 5.969 6.618 1.00 0.00 C ATOM 391 OE1 GLN A 28 9.499 5.605 7.543 1.00 0.00 O ATOM 392 NE2 GLN A 28 10.542 7.220 6.527 1.00 0.00 N ATOM 0 H GLN A 28 8.481 5.073 2.304 1.00 0.00 H new ATOM 0 HA GLN A 28 10.059 3.059 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.424 5.594 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.993 5.839 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.552 3.952 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.710 5.122 5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.126 7.532 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.230 7.889 7.231 1.00 0.00 H new ATOM 401 N GLN A 29 6.962 3.683 4.638 1.00 0.00 N ATOM 402 CA GLN A 29 5.897 3.160 5.551 1.00 0.00 C ATOM 403 C GLN A 29 5.492 1.746 5.125 1.00 0.00 C ATOM 404 O GLN A 29 5.654 0.803 5.874 1.00 0.00 O ATOM 405 CB GLN A 29 4.713 4.128 5.447 1.00 0.00 C ATOM 406 CG GLN A 29 4.714 5.076 6.657 1.00 0.00 C ATOM 407 CD GLN A 29 4.837 4.277 7.959 1.00 0.00 C ATOM 408 OE1 GLN A 29 5.933 4.022 8.426 1.00 0.00 O ATOM 409 NE2 GLN A 29 3.763 3.865 8.567 1.00 0.00 N ATOM 0 H GLN A 29 6.650 4.351 3.933 1.00 0.00 H new ATOM 0 HA GLN A 29 6.248 3.098 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.780 4.702 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.777 3.571 5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.542 5.780 6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.796 5.663 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.844 4.077 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.840 3.330 9.432 1.00 0.00 H new ATOM 418 N ILE A 30 4.983 1.579 3.929 1.00 0.00 N ATOM 419 CA ILE A 30 4.589 0.207 3.477 1.00 0.00 C ATOM 420 C ILE A 30 5.810 -0.733 3.510 1.00 0.00 C ATOM 421 O ILE A 30 5.714 -1.859 3.960 1.00 0.00 O ATOM 422 CB ILE A 30 4.051 0.379 2.049 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.702 1.114 2.086 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.849 -0.993 1.404 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.707 0.347 2.966 1.00 0.00 C ATOM 0 H ILE A 30 4.824 2.325 3.252 1.00 0.00 H new ATOM 0 HA ILE A 30 3.836 -0.240 4.125 1.00 0.00 H new ATOM 0 HB ILE A 30 4.770 0.958 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.840 2.123 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.305 1.212 1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.467 -0.866 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.801 -1.522 1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.134 -1.570 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.755 0.877 2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.558 -0.653 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.101 0.272 3.980 1.00 0.00 H new ATOM 437 N GLY A 31 6.958 -0.274 3.059 1.00 0.00 N ATOM 438 CA GLY A 31 8.188 -1.135 3.081 1.00 0.00 C ATOM 439 C GLY A 31 8.366 -1.760 4.469 1.00 0.00 C ATOM 440 O GLY A 31 8.490 -2.963 4.603 1.00 0.00 O ATOM 0 H GLY A 31 7.095 0.661 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.107 -1.919 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.064 -0.538 2.827 1.00 0.00 H new ATOM 444 N LYS A 32 8.371 -0.955 5.506 1.00 0.00 N ATOM 445 CA LYS A 32 8.531 -1.520 6.886 1.00 0.00 C ATOM 446 C LYS A 32 7.179 -1.535 7.636 1.00 0.00 C ATOM 447 O LYS A 32 7.140 -1.504 8.853 1.00 0.00 O ATOM 448 CB LYS A 32 9.536 -0.577 7.578 1.00 0.00 C ATOM 449 CG LYS A 32 8.788 0.573 8.267 1.00 0.00 C ATOM 450 CD LYS A 32 9.747 1.733 8.540 1.00 0.00 C ATOM 451 CE LYS A 32 8.966 2.909 9.140 1.00 0.00 C ATOM 452 NZ LYS A 32 8.302 3.576 7.981 1.00 0.00 N ATOM 0 H LYS A 32 8.272 0.059 5.459 1.00 0.00 H new ATOM 0 HA LYS A 32 8.879 -2.553 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.122 -1.131 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.237 -0.178 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.965 0.911 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.351 0.224 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.533 1.416 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.236 2.041 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.232 2.563 9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.631 3.597 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.791 4.469 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.344 2.952 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.308 3.773 8.216 1.00 0.00 H new ATOM 466 N VAL A 33 6.072 -1.566 6.929 1.00 0.00 N ATOM 467 CA VAL A 33 4.740 -1.546 7.622 1.00 0.00 C ATOM 468 C VAL A 33 4.520 -2.801 8.480 1.00 0.00 C ATOM 469 O VAL A 33 4.056 -2.709 9.600 1.00 0.00 O ATOM 470 CB VAL A 33 3.683 -1.439 6.508 1.00 0.00 C ATOM 471 CG1 VAL A 33 3.570 -2.751 5.727 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.328 -1.118 7.133 1.00 0.00 C ATOM 0 H VAL A 33 6.032 -1.604 5.910 1.00 0.00 H new ATOM 0 HA VAL A 33 4.677 -0.706 8.314 1.00 0.00 H new ATOM 0 HB VAL A 33 3.986 -0.649 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.816 -2.646 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.532 -2.988 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.281 -3.554 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.575 -1.041 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.050 -1.912 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.390 -0.172 7.671 1.00 0.00 H new ATOM 482 N ASN A 34 4.834 -3.965 7.970 1.00 0.00 N ATOM 483 CA ASN A 34 4.622 -5.216 8.768 1.00 0.00 C ATOM 484 C ASN A 34 5.072 -6.443 7.967 1.00 0.00 C ATOM 485 O ASN A 34 5.871 -7.237 8.425 1.00 0.00 O ATOM 486 CB ASN A 34 3.109 -5.267 9.024 1.00 0.00 C ATOM 487 CG ASN A 34 2.837 -5.339 10.526 1.00 0.00 C ATOM 488 OD1 ASN A 34 2.802 -6.407 11.092 1.00 0.00 O ATOM 489 ND2 ASN A 34 2.646 -4.242 11.200 1.00 0.00 N ATOM 0 H ASN A 34 5.227 -4.105 7.039 1.00 0.00 H new ATOM 0 HA ASN A 34 5.196 -5.217 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.630 -4.384 8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.676 -6.134 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.467 -4.284 12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.675 -3.340 10.725 1.00 0.00 H new ATOM 496 N GLY A 35 4.565 -6.595 6.770 1.00 0.00 N ATOM 497 CA GLY A 35 4.955 -7.761 5.929 1.00 0.00 C ATOM 498 C GLY A 35 4.892 -7.361 4.459 1.00 0.00 C ATOM 499 O GLY A 35 3.933 -7.644 3.776 1.00 0.00 O ATOM 0 H GLY A 35 3.895 -5.958 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.962 -8.090 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.287 -8.601 6.119 1.00 0.00 H new ATOM 503 N VAL A 36 5.914 -6.710 3.971 1.00 0.00 N ATOM 504 CA VAL A 36 5.943 -6.292 2.548 1.00 0.00 C ATOM 505 C VAL A 36 7.289 -6.681 1.949 1.00 0.00 C ATOM 506 O VAL A 36 8.281 -5.992 2.082 1.00 0.00 O ATOM 507 CB VAL A 36 5.750 -4.771 2.543 1.00 0.00 C ATOM 508 CG1 VAL A 36 6.126 -4.205 1.169 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.285 -4.446 2.828 1.00 0.00 C ATOM 0 H VAL A 36 6.740 -6.449 4.510 1.00 0.00 H new ATOM 0 HA VAL A 36 5.165 -6.772 1.954 1.00 0.00 H new ATOM 0 HB VAL A 36 6.387 -4.327 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.987 -3.124 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.169 -4.437 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.490 -4.651 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.145 -3.365 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.656 -4.895 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.007 -4.845 3.803 1.00 0.00 H new ATOM 519 N HIS A 37 7.311 -7.798 1.300 1.00 0.00 N ATOM 520 CA HIS A 37 8.583 -8.294 0.667 1.00 0.00 C ATOM 521 C HIS A 37 9.017 -7.363 -0.483 1.00 0.00 C ATOM 522 O HIS A 37 10.123 -7.452 -0.979 1.00 0.00 O ATOM 523 CB HIS A 37 8.251 -9.692 0.123 1.00 0.00 C ATOM 524 CG HIS A 37 7.776 -10.586 1.240 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.564 -10.693 1.883 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.599 -11.534 1.823 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.633 -11.691 2.848 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.880 -12.165 2.772 1.00 0.00 N flip ATOM 0 H HIS A 37 6.502 -8.406 1.171 1.00 0.00 H new ATOM 0 HA HIS A 37 9.405 -8.319 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.482 -9.618 -0.645 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.133 -10.125 -0.349 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.629 -11.732 1.565 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.848 -12.014 3.516 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.244 -12.914 3.361 1.00 0.00 H new ATOM 536 N HIS A 38 8.149 -6.476 -0.904 1.00 0.00 N ATOM 537 CA HIS A 38 8.474 -5.529 -2.011 1.00 0.00 C ATOM 538 C HIS A 38 7.365 -4.469 -2.113 1.00 0.00 C ATOM 539 O HIS A 38 6.199 -4.780 -2.285 1.00 0.00 O ATOM 540 CB HIS A 38 8.556 -6.397 -3.278 1.00 0.00 C ATOM 541 CG HIS A 38 8.609 -5.523 -4.498 1.00 0.00 C ATOM 542 ND1 HIS A 38 9.718 -5.462 -5.324 1.00 0.00 N ATOM 543 CD2 HIS A 38 7.686 -4.676 -5.043 1.00 0.00 C ATOM 544 CE1 HIS A 38 9.434 -4.598 -6.319 1.00 0.00 C ATOM 545 NE2 HIS A 38 8.206 -4.090 -6.195 1.00 0.00 N ATOM 0 H HIS A 38 7.211 -6.368 -0.518 1.00 0.00 H new ATOM 0 HA HIS A 38 9.409 -4.991 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 38 9.441 -7.032 -3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.691 -7.059 -3.332 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.590 -5.977 -5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.701 -4.489 -4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 38 10.116 -4.348 -7.118 1.00 0.00 H new ATOM 553 N ILE A 39 7.728 -3.221 -2.005 1.00 0.00 N ATOM 554 CA ILE A 39 6.716 -2.122 -2.094 1.00 0.00 C ATOM 555 C ILE A 39 7.062 -1.219 -3.295 1.00 0.00 C ATOM 556 O ILE A 39 8.218 -0.952 -3.557 1.00 0.00 O ATOM 557 CB ILE A 39 6.794 -1.357 -0.743 1.00 0.00 C ATOM 558 CG1 ILE A 39 6.409 0.118 -0.945 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.203 -1.436 -0.134 1.00 0.00 C ATOM 560 CD1 ILE A 39 7.637 0.934 -1.356 1.00 0.00 C ATOM 0 H ILE A 39 8.688 -2.910 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 39 5.702 -2.488 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 39 6.093 -1.830 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.637 0.198 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.987 0.521 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.223 -0.891 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.464 -2.479 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.923 -0.994 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.351 1.976 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.396 0.867 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.040 0.540 -2.289 1.00 0.00 H new ATOM 572 N LYS A 40 6.082 -0.766 -4.039 1.00 0.00 N ATOM 573 CA LYS A 40 6.377 0.099 -5.225 1.00 0.00 C ATOM 574 C LYS A 40 5.333 1.218 -5.354 1.00 0.00 C ATOM 575 O LYS A 40 4.162 0.964 -5.582 1.00 0.00 O ATOM 576 CB LYS A 40 6.310 -0.852 -6.424 1.00 0.00 C ATOM 577 CG LYS A 40 7.308 -0.403 -7.494 1.00 0.00 C ATOM 578 CD LYS A 40 7.649 -1.584 -8.407 1.00 0.00 C ATOM 579 CE LYS A 40 6.604 -1.700 -9.521 1.00 0.00 C ATOM 580 NZ LYS A 40 7.365 -1.470 -10.785 1.00 0.00 N ATOM 0 H LYS A 40 5.093 -0.957 -3.877 1.00 0.00 H new ATOM 0 HA LYS A 40 7.345 0.593 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.536 -1.870 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.301 -0.863 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.885 0.413 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.214 -0.021 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.640 -1.447 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.679 -2.506 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.130 -2.682 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.811 -0.963 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.718 -1.533 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.799 -0.525 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.109 -2.191 -10.878 1.00 0.00 H new ATOM 594 N VAL A 41 5.753 2.451 -5.211 1.00 0.00 N ATOM 595 CA VAL A 41 4.797 3.595 -5.318 1.00 0.00 C ATOM 596 C VAL A 41 5.021 4.372 -6.625 1.00 0.00 C ATOM 597 O VAL A 41 6.049 4.259 -7.264 1.00 0.00 O ATOM 598 CB VAL A 41 5.073 4.469 -4.086 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.196 5.722 -4.123 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.742 3.679 -2.819 1.00 0.00 C ATOM 0 H VAL A 41 6.720 2.715 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 41 3.759 3.262 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 41 6.124 4.758 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.400 6.335 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.417 6.294 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.146 5.431 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.937 4.298 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.691 3.392 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.362 2.784 -2.776 1.00 0.00 H new ATOM 610 N SER A 42 4.045 5.142 -7.035 1.00 0.00 N ATOM 611 CA SER A 42 4.156 5.911 -8.300 1.00 0.00 C ATOM 612 C SER A 42 3.782 7.382 -8.070 1.00 0.00 C ATOM 613 O SER A 42 2.705 7.825 -8.414 1.00 0.00 O ATOM 614 CB SER A 42 3.164 5.226 -9.242 1.00 0.00 C ATOM 615 OG SER A 42 3.775 5.024 -10.509 1.00 0.00 O ATOM 0 H SER A 42 3.165 5.269 -6.535 1.00 0.00 H new ATOM 0 HA SER A 42 5.168 5.919 -8.704 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.848 4.271 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.269 5.838 -9.352 1.00 0.00 H new ATOM 0 HG SER A 42 3.282 4.337 -11.004 1.00 0.00 H new ATOM 621 N LEU A 43 4.681 8.123 -7.473 1.00 0.00 N ATOM 622 CA LEU A 43 4.457 9.578 -7.172 1.00 0.00 C ATOM 623 C LEU A 43 3.614 10.295 -8.249 1.00 0.00 C ATOM 624 O LEU A 43 2.606 10.906 -7.944 1.00 0.00 O ATOM 625 CB LEU A 43 5.875 10.155 -7.131 1.00 0.00 C ATOM 626 CG LEU A 43 5.900 11.466 -6.350 1.00 0.00 C ATOM 627 CD1 LEU A 43 5.781 11.175 -4.853 1.00 0.00 C ATOM 628 CD2 LEU A 43 7.225 12.170 -6.631 1.00 0.00 C ATOM 0 H LEU A 43 5.590 7.772 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 43 3.895 9.713 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.552 9.437 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.234 10.323 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 43 5.067 12.099 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.799 12.113 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.843 10.655 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.616 10.550 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.261 13.110 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.050 11.532 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.311 12.371 -7.699 1.00 0.00 H new ATOM 640 N GLU A 44 4.024 10.255 -9.493 1.00 0.00 N ATOM 641 CA GLU A 44 3.240 10.972 -10.557 1.00 0.00 C ATOM 642 C GLU A 44 2.096 10.122 -11.094 1.00 0.00 C ATOM 643 O GLU A 44 1.056 10.636 -11.470 1.00 0.00 O ATOM 644 CB GLU A 44 4.248 11.297 -11.664 1.00 0.00 C ATOM 645 CG GLU A 44 4.974 12.611 -11.338 1.00 0.00 C ATOM 646 CD GLU A 44 5.770 12.458 -10.039 1.00 0.00 C ATOM 647 OE1 GLU A 44 6.627 11.590 -9.989 1.00 0.00 O ATOM 648 OE2 GLU A 44 5.505 13.210 -9.117 1.00 0.00 O ATOM 0 H GLU A 44 4.857 9.764 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 44 2.772 11.871 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.970 10.486 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.735 11.382 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.643 12.879 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.251 13.421 -11.239 1.00 0.00 H new ATOM 655 N GLU A 45 2.254 8.836 -11.110 1.00 0.00 N ATOM 656 CA GLU A 45 1.149 7.958 -11.599 1.00 0.00 C ATOM 657 C GLU A 45 0.051 7.847 -10.521 1.00 0.00 C ATOM 658 O GLU A 45 -0.979 7.237 -10.739 1.00 0.00 O ATOM 659 CB GLU A 45 1.804 6.602 -11.858 1.00 0.00 C ATOM 660 CG GLU A 45 0.974 5.799 -12.868 1.00 0.00 C ATOM 661 CD GLU A 45 0.822 4.350 -12.389 1.00 0.00 C ATOM 662 OE1 GLU A 45 1.723 3.858 -11.720 1.00 0.00 O ATOM 663 OE2 GLU A 45 -0.195 3.755 -12.695 1.00 0.00 O ATOM 0 H GLU A 45 3.097 8.348 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 45 0.670 8.348 -12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.815 6.745 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.891 6.047 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.008 6.256 -12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.457 5.819 -13.845 1.00 0.00 H new ATOM 670 N LYS A 46 0.260 8.450 -9.362 1.00 0.00 N ATOM 671 CA LYS A 46 -0.768 8.399 -8.265 1.00 0.00 C ATOM 672 C LYS A 46 -1.194 6.953 -7.955 1.00 0.00 C ATOM 673 O LYS A 46 -2.368 6.627 -7.945 1.00 0.00 O ATOM 674 CB LYS A 46 -1.951 9.211 -8.801 1.00 0.00 C ATOM 675 CG LYS A 46 -1.783 10.675 -8.396 1.00 0.00 C ATOM 676 CD LYS A 46 -1.006 11.429 -9.477 1.00 0.00 C ATOM 677 CE LYS A 46 -1.936 11.744 -10.656 1.00 0.00 C ATOM 678 NZ LYS A 46 -1.223 11.247 -11.876 1.00 0.00 N ATOM 0 H LYS A 46 1.103 8.976 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.378 8.799 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.004 9.126 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.887 8.817 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.760 11.135 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.255 10.740 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.597 12.352 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.162 10.829 -9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.900 11.250 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.132 12.814 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.326 11.940 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.214 11.117 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.634 10.339 -12.172 1.00 0.00 H new ATOM 692 N ASN A 47 -0.254 6.080 -7.699 1.00 0.00 N ATOM 693 CA ASN A 47 -0.624 4.663 -7.397 1.00 0.00 C ATOM 694 C ASN A 47 0.502 3.953 -6.636 1.00 0.00 C ATOM 695 O ASN A 47 1.669 4.235 -6.822 1.00 0.00 O ATOM 696 CB ASN A 47 -0.848 4.032 -8.782 1.00 0.00 C ATOM 697 CG ASN A 47 -0.596 2.521 -8.747 1.00 0.00 C ATOM 698 OD1 ASN A 47 -1.115 1.819 -7.902 1.00 0.00 O ATOM 699 ND2 ASN A 47 0.187 1.986 -9.637 1.00 0.00 N ATOM 0 H ASN A 47 0.745 6.283 -7.686 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.504 4.585 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.868 4.226 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.183 4.498 -9.509 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.363 0.981 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.625 2.571 -10.348 1.00 0.00 H new ATOM 706 N ALA A 48 0.149 3.021 -5.791 1.00 0.00 N ATOM 707 CA ALA A 48 1.179 2.265 -5.022 1.00 0.00 C ATOM 708 C ALA A 48 0.885 0.765 -5.110 1.00 0.00 C ATOM 709 O ALA A 48 -0.210 0.322 -4.828 1.00 0.00 O ATOM 710 CB ALA A 48 1.066 2.765 -3.579 1.00 0.00 C ATOM 0 H ALA A 48 -0.815 2.750 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 48 2.186 2.419 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.797 2.249 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.257 3.838 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.063 2.565 -3.202 1.00 0.00 H new ATOM 716 N THR A 49 1.854 -0.017 -5.491 1.00 0.00 N ATOM 717 CA THR A 49 1.639 -1.485 -5.591 1.00 0.00 C ATOM 718 C THR A 49 2.724 -2.215 -4.792 1.00 0.00 C ATOM 719 O THR A 49 3.907 -2.045 -5.026 1.00 0.00 O ATOM 720 CB THR A 49 1.686 -1.807 -7.096 1.00 0.00 C ATOM 721 OG1 THR A 49 1.167 -3.109 -7.316 1.00 0.00 O ATOM 722 CG2 THR A 49 3.119 -1.741 -7.619 1.00 0.00 C ATOM 0 H THR A 49 2.791 0.300 -5.739 1.00 0.00 H new ATOM 0 HA THR A 49 0.687 -1.810 -5.172 1.00 0.00 H new ATOM 0 HB THR A 49 1.085 -1.069 -7.628 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.188 -3.070 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.129 -1.972 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.518 -0.739 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.735 -2.465 -7.085 1.00 0.00 H new ATOM 730 N ILE A 50 2.331 -2.996 -3.817 1.00 0.00 N ATOM 731 CA ILE A 50 3.341 -3.707 -2.967 1.00 0.00 C ATOM 732 C ILE A 50 2.928 -5.168 -2.722 1.00 0.00 C ATOM 733 O ILE A 50 1.796 -5.553 -2.954 1.00 0.00 O ATOM 734 CB ILE A 50 3.355 -2.935 -1.631 1.00 0.00 C ATOM 735 CG1 ILE A 50 2.049 -3.190 -0.869 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.495 -1.429 -1.875 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.336 -4.047 0.365 1.00 0.00 C ATOM 0 H ILE A 50 1.357 -3.173 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 50 4.319 -3.733 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 50 4.206 -3.285 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.599 -2.243 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.331 -3.694 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.503 -0.905 -0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.427 -1.231 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.655 -1.078 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.407 -4.228 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.767 -4.999 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.039 -3.526 1.015 1.00 0.00 H new ATOM 749 N ILE A 51 3.827 -5.975 -2.219 1.00 0.00 N ATOM 750 CA ILE A 51 3.489 -7.390 -1.922 1.00 0.00 C ATOM 751 C ILE A 51 3.445 -7.563 -0.410 1.00 0.00 C ATOM 752 O ILE A 51 4.073 -6.826 0.324 1.00 0.00 O ATOM 753 CB ILE A 51 4.614 -8.228 -2.551 1.00 0.00 C ATOM 754 CG1 ILE A 51 4.456 -9.698 -2.159 1.00 0.00 C ATOM 755 CG2 ILE A 51 5.973 -7.732 -2.070 1.00 0.00 C ATOM 756 CD1 ILE A 51 5.012 -9.908 -0.750 1.00 0.00 C ATOM 0 H ILE A 51 4.787 -5.707 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 51 2.522 -7.696 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 51 4.552 -8.128 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.405 -9.985 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.984 -10.334 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.761 -8.334 -2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.102 -6.689 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.029 -7.818 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.901 -10.955 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.068 -9.637 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.464 -9.282 -0.046 1.00 0.00 H new ATOM 768 N TYR A 52 2.685 -8.500 0.062 1.00 0.00 N ATOM 769 CA TYR A 52 2.572 -8.688 1.529 1.00 0.00 C ATOM 770 C TYR A 52 1.988 -10.060 1.849 1.00 0.00 C ATOM 771 O TYR A 52 1.491 -10.757 0.986 1.00 0.00 O ATOM 772 CB TYR A 52 1.589 -7.588 1.970 1.00 0.00 C ATOM 773 CG TYR A 52 0.280 -7.780 1.227 1.00 0.00 C ATOM 774 CD1 TYR A 52 0.202 -7.471 -0.137 1.00 0.00 C ATOM 775 CD2 TYR A 52 -0.836 -8.314 1.883 1.00 0.00 C ATOM 776 CE1 TYR A 52 -0.974 -7.695 -0.835 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.028 -8.528 1.176 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.094 -8.221 -0.188 1.00 0.00 C ATOM 779 OH TYR A 52 -3.253 -8.446 -0.907 1.00 0.00 O ATOM 0 H TYR A 52 2.135 -9.146 -0.504 1.00 0.00 H new ATOM 0 HA TYR A 52 3.537 -8.628 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.424 -7.638 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.004 -6.603 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.060 -7.057 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.779 -8.561 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.025 -7.461 -1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.893 -8.929 1.683 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.851 -9.025 -0.390 1.00 0.00 H new ATOM 789 N ASP A 53 2.016 -10.430 3.088 1.00 0.00 N ATOM 790 CA ASP A 53 1.421 -11.729 3.482 1.00 0.00 C ATOM 791 C ASP A 53 -0.091 -11.534 3.643 1.00 0.00 C ATOM 792 O ASP A 53 -0.515 -10.770 4.486 1.00 0.00 O ATOM 793 CB ASP A 53 2.086 -12.073 4.821 1.00 0.00 C ATOM 794 CG ASP A 53 2.346 -13.577 4.914 1.00 0.00 C ATOM 795 OD1 ASP A 53 1.949 -14.297 4.006 1.00 0.00 O ATOM 796 OD2 ASP A 53 2.928 -13.994 5.897 1.00 0.00 O ATOM 0 H ASP A 53 2.426 -9.889 3.850 1.00 0.00 H new ATOM 0 HA ASP A 53 1.576 -12.526 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.025 -11.528 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.446 -11.756 5.645 1.00 0.00 H new ATOM 801 N PRO A 54 -0.866 -12.227 2.838 1.00 0.00 N ATOM 802 CA PRO A 54 -2.349 -12.097 2.923 1.00 0.00 C ATOM 803 C PRO A 54 -2.831 -12.601 4.287 1.00 0.00 C ATOM 804 O PRO A 54 -3.881 -12.224 4.769 1.00 0.00 O ATOM 805 CB PRO A 54 -2.854 -12.967 1.771 1.00 0.00 C ATOM 806 CG PRO A 54 -1.743 -13.936 1.519 1.00 0.00 C ATOM 807 CD PRO A 54 -0.462 -13.197 1.813 1.00 0.00 C ATOM 0 HA PRO A 54 -2.713 -11.073 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.777 -13.482 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.067 -12.368 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.841 -14.814 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.761 -14.288 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.316 -13.868 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.068 -12.704 0.924 1.00 0.00 H new ATOM 815 N LYS A 55 -2.036 -13.423 4.918 1.00 0.00 N ATOM 816 CA LYS A 55 -2.386 -13.946 6.272 1.00 0.00 C ATOM 817 C LYS A 55 -1.947 -12.935 7.353 1.00 0.00 C ATOM 818 O LYS A 55 -2.472 -12.929 8.450 1.00 0.00 O ATOM 819 CB LYS A 55 -1.632 -15.284 6.413 1.00 0.00 C ATOM 820 CG LYS A 55 -0.170 -15.142 5.958 1.00 0.00 C ATOM 821 CD LYS A 55 0.597 -16.425 6.285 1.00 0.00 C ATOM 822 CE LYS A 55 0.768 -17.251 5.005 1.00 0.00 C ATOM 823 NZ LYS A 55 2.004 -16.718 4.359 1.00 0.00 N ATOM 0 H LYS A 55 -1.147 -13.759 4.548 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.459 -14.093 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.663 -15.616 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.129 -16.050 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.130 -14.945 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.295 -14.291 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.572 -16.182 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.059 -17.003 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.868 -18.312 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.096 -17.145 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.290 -17.349 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.816 -15.768 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.768 -16.666 5.062 1.00 0.00 H new ATOM 837 N LEU A 56 -1.002 -12.070 7.048 1.00 0.00 N ATOM 838 CA LEU A 56 -0.547 -11.052 8.052 1.00 0.00 C ATOM 839 C LEU A 56 -1.048 -9.650 7.658 1.00 0.00 C ATOM 840 O LEU A 56 -1.446 -8.866 8.498 1.00 0.00 O ATOM 841 CB LEU A 56 0.986 -11.106 8.012 1.00 0.00 C ATOM 842 CG LEU A 56 1.565 -10.216 9.119 1.00 0.00 C ATOM 843 CD1 LEU A 56 2.271 -11.087 10.158 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.573 -9.234 8.515 1.00 0.00 C ATOM 0 H LEU A 56 -0.527 -12.027 6.146 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.936 -11.258 9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.327 -12.133 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.346 -10.772 7.039 1.00 0.00 H new ATOM 0 HG LEU A 56 0.756 -9.662 9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.682 -10.454 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.557 -11.787 10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.078 -11.642 9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.983 -8.603 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.381 -9.789 8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.074 -8.610 7.773 1.00 0.00 H new ATOM 856 N GLN A 57 -1.029 -9.333 6.388 1.00 0.00 N ATOM 857 CA GLN A 57 -1.499 -7.991 5.928 1.00 0.00 C ATOM 858 C GLN A 57 -2.531 -8.131 4.803 1.00 0.00 C ATOM 859 O GLN A 57 -2.634 -9.154 4.153 1.00 0.00 O ATOM 860 CB GLN A 57 -0.243 -7.291 5.410 1.00 0.00 C ATOM 861 CG GLN A 57 0.391 -6.481 6.540 1.00 0.00 C ATOM 862 CD GLN A 57 -0.358 -5.161 6.739 1.00 0.00 C ATOM 863 OE1 GLN A 57 -0.996 -4.656 5.834 1.00 0.00 O ATOM 864 NE2 GLN A 57 -0.319 -4.578 7.899 1.00 0.00 N ATOM 0 H GLN A 57 -0.705 -9.952 5.644 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.984 -7.434 6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.467 -8.027 5.033 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.496 -6.636 4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.373 -7.059 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.437 -6.281 6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.214 -4.996 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.821 -3.703 8.047 1.00 0.00 H new ATOM 873 N THR A 58 -3.293 -7.100 4.569 1.00 0.00 N ATOM 874 CA THR A 58 -4.331 -7.153 3.483 1.00 0.00 C ATOM 875 C THR A 58 -4.478 -5.775 2.817 1.00 0.00 C ATOM 876 O THR A 58 -3.965 -4.793 3.318 1.00 0.00 O ATOM 877 CB THR A 58 -5.649 -7.527 4.189 1.00 0.00 C ATOM 878 OG1 THR A 58 -6.148 -6.390 4.884 1.00 0.00 O ATOM 879 CG2 THR A 58 -5.422 -8.669 5.186 1.00 0.00 C ATOM 0 H THR A 58 -3.247 -6.218 5.080 1.00 0.00 H new ATOM 0 HA THR A 58 -4.061 -7.869 2.707 1.00 0.00 H new ATOM 0 HB THR A 58 -6.369 -7.854 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.987 -6.623 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.364 -8.918 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.044 -9.544 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.696 -8.358 5.937 1.00 0.00 H new ATOM 887 N PRO A 59 -5.214 -5.729 1.723 1.00 0.00 N ATOM 888 CA PRO A 59 -5.445 -4.433 1.025 1.00 0.00 C ATOM 889 C PRO A 59 -6.237 -3.473 1.934 1.00 0.00 C ATOM 890 O PRO A 59 -6.314 -2.287 1.682 1.00 0.00 O ATOM 891 CB PRO A 59 -6.246 -4.832 -0.217 1.00 0.00 C ATOM 892 CG PRO A 59 -6.886 -6.129 0.151 1.00 0.00 C ATOM 893 CD PRO A 59 -5.904 -6.838 1.044 1.00 0.00 C ATOM 0 HA PRO A 59 -4.527 -3.905 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.992 -4.078 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.600 -4.941 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.833 -5.965 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.104 -6.722 -0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.406 -7.496 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.211 -7.455 0.472 1.00 0.00 H new ATOM 901 N LYS A 60 -6.791 -3.979 3.013 1.00 0.00 N ATOM 902 CA LYS A 60 -7.542 -3.108 3.964 1.00 0.00 C ATOM 903 C LYS A 60 -6.561 -2.537 5.002 1.00 0.00 C ATOM 904 O LYS A 60 -6.733 -1.435 5.495 1.00 0.00 O ATOM 905 CB LYS A 60 -8.602 -4.036 4.598 1.00 0.00 C ATOM 906 CG LYS A 60 -8.506 -4.034 6.131 1.00 0.00 C ATOM 907 CD LYS A 60 -9.295 -2.847 6.693 1.00 0.00 C ATOM 908 CE LYS A 60 -8.678 -2.402 8.025 1.00 0.00 C ATOM 909 NZ LYS A 60 -7.877 -1.186 7.703 1.00 0.00 N ATOM 0 H LYS A 60 -6.752 -4.964 3.273 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.022 -2.251 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.598 -3.714 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.468 -5.051 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.900 -4.968 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.463 -3.970 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.284 -2.021 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.338 -3.128 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.451 -2.180 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.050 -3.186 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.977 -1.215 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.685 -1.157 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.409 -0.336 7.980 1.00 0.00 H new ATOM 923 N THR A 61 -5.512 -3.263 5.299 1.00 0.00 N ATOM 924 CA THR A 61 -4.487 -2.759 6.263 1.00 0.00 C ATOM 925 C THR A 61 -3.419 -2.010 5.464 1.00 0.00 C ATOM 926 O THR A 61 -2.773 -1.107 5.954 1.00 0.00 O ATOM 927 CB THR A 61 -3.893 -3.991 6.963 1.00 0.00 C ATOM 928 OG1 THR A 61 -3.428 -4.919 5.995 1.00 0.00 O ATOM 929 CG2 THR A 61 -4.954 -4.653 7.845 1.00 0.00 C ATOM 0 H THR A 61 -5.321 -4.188 4.913 1.00 0.00 H new ATOM 0 HA THR A 61 -4.904 -2.080 7.007 1.00 0.00 H new ATOM 0 HB THR A 61 -3.057 -3.675 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.533 -4.657 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.525 -5.526 8.338 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.296 -3.943 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.798 -4.963 7.229 1.00 0.00 H new ATOM 937 N LEU A 62 -3.282 -2.349 4.204 1.00 0.00 N ATOM 938 CA LEU A 62 -2.310 -1.633 3.326 1.00 0.00 C ATOM 939 C LEU A 62 -2.942 -0.291 2.956 1.00 0.00 C ATOM 940 O LEU A 62 -2.273 0.708 2.775 1.00 0.00 O ATOM 941 CB LEU A 62 -2.141 -2.512 2.078 1.00 0.00 C ATOM 942 CG LEU A 62 -1.423 -3.817 2.440 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.701 -4.868 1.364 1.00 0.00 C ATOM 944 CD2 LEU A 62 0.084 -3.568 2.520 1.00 0.00 C ATOM 0 H LEU A 62 -3.806 -3.095 3.746 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.344 -1.457 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.117 -2.734 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.572 -1.974 1.320 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.787 -4.172 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.190 -5.796 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.774 -5.049 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.337 -4.508 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.593 -4.497 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.446 -3.211 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.289 -2.818 3.284 1.00 0.00 H new ATOM 956 N GLN A 63 -4.253 -0.265 2.908 1.00 0.00 N ATOM 957 CA GLN A 63 -4.977 1.003 2.615 1.00 0.00 C ATOM 958 C GLN A 63 -5.024 1.817 3.903 1.00 0.00 C ATOM 959 O GLN A 63 -4.996 3.029 3.892 1.00 0.00 O ATOM 960 CB GLN A 63 -6.391 0.590 2.190 1.00 0.00 C ATOM 961 CG GLN A 63 -7.280 1.841 2.086 1.00 0.00 C ATOM 962 CD GLN A 63 -8.409 1.609 1.077 1.00 0.00 C ATOM 963 OE1 GLN A 63 -8.248 1.852 -0.104 1.00 0.00 O ATOM 964 NE2 GLN A 63 -9.555 1.154 1.489 1.00 0.00 N ATOM 0 H GLN A 63 -4.852 -1.076 3.061 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.502 1.600 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.358 0.073 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.811 -0.109 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.700 2.079 3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.680 2.698 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.696 0.948 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.313 1.003 0.823 1.00 0.00 H new ATOM 973 N GLU A 64 -5.044 1.134 5.019 1.00 0.00 N ATOM 974 CA GLU A 64 -5.050 1.834 6.334 1.00 0.00 C ATOM 975 C GLU A 64 -3.633 2.299 6.643 1.00 0.00 C ATOM 976 O GLU A 64 -3.421 3.245 7.366 1.00 0.00 O ATOM 977 CB GLU A 64 -5.556 0.796 7.346 1.00 0.00 C ATOM 978 CG GLU A 64 -4.422 0.320 8.269 1.00 0.00 C ATOM 979 CD GLU A 64 -4.816 -0.989 8.958 1.00 0.00 C ATOM 980 OE1 GLU A 64 -5.984 -1.133 9.303 1.00 0.00 O ATOM 981 OE2 GLU A 64 -3.954 -1.834 9.116 1.00 0.00 O ATOM 0 H GLU A 64 -5.056 0.116 5.074 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.687 2.719 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.358 1.229 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.979 -0.057 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.509 0.175 7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.208 1.083 9.017 1.00 0.00 H new ATOM 988 N ALA A 65 -2.670 1.667 6.033 1.00 0.00 N ATOM 989 CA ALA A 65 -1.253 2.093 6.218 1.00 0.00 C ATOM 990 C ALA A 65 -1.026 3.297 5.304 1.00 0.00 C ATOM 991 O ALA A 65 -0.239 4.184 5.585 1.00 0.00 O ATOM 992 CB ALA A 65 -0.404 0.893 5.787 1.00 0.00 C ATOM 0 H ALA A 65 -2.803 0.870 5.411 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.001 2.379 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.653 1.137 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.645 0.033 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.614 0.654 4.744 1.00 0.00 H new ATOM 998 N ILE A 66 -1.785 3.352 4.237 1.00 0.00 N ATOM 999 CA ILE A 66 -1.700 4.516 3.308 1.00 0.00 C ATOM 1000 C ILE A 66 -2.577 5.621 3.893 1.00 0.00 C ATOM 1001 O ILE A 66 -2.247 6.793 3.843 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.255 4.021 1.963 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -1.251 3.053 1.311 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -2.503 5.215 1.032 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.093 3.829 0.667 1.00 0.00 C ATOM 0 H ILE A 66 -2.462 2.637 3.971 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.689 4.902 3.175 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.197 3.500 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.862 2.364 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.756 2.450 0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.896 4.859 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.223 5.891 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.566 5.745 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.606 3.128 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.485 4.499 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.423 4.412 1.430 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.679 5.233 4.493 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.569 6.239 5.135 1.00 0.00 C ATOM 1019 C ASP A 67 -3.881 6.742 6.410 1.00 0.00 C ATOM 1020 O ASP A 67 -4.005 7.895 6.780 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.876 5.496 5.453 1.00 0.00 C ATOM 1022 CG ASP A 67 -6.749 5.377 4.191 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -6.608 6.207 3.304 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.551 4.457 4.139 1.00 0.00 O ATOM 0 H ASP A 67 -3.995 4.266 4.563 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.773 7.104 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.651 4.503 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.423 6.027 6.232 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.117 5.889 7.061 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.382 6.334 8.285 1.00 0.00 C ATOM 1031 C ASP A 68 -1.295 7.338 7.871 1.00 0.00 C ATOM 1032 O ASP A 68 -1.037 8.309 8.557 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.774 5.060 8.885 1.00 0.00 C ATOM 1034 CG ASP A 68 -1.137 5.375 10.239 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -1.876 5.617 11.177 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.080 5.361 10.318 1.00 0.00 O ATOM 0 H ASP A 68 -2.974 4.914 6.797 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.023 6.831 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.546 4.300 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.025 4.650 8.207 1.00 0.00 H new ATOM 1041 N MET A 69 -0.677 7.119 6.730 1.00 0.00 N ATOM 1042 CA MET A 69 0.369 8.069 6.243 1.00 0.00 C ATOM 1043 C MET A 69 -0.266 9.441 5.942 1.00 0.00 C ATOM 1044 O MET A 69 0.233 10.465 6.365 1.00 0.00 O ATOM 1045 CB MET A 69 0.926 7.434 4.964 1.00 0.00 C ATOM 1046 CG MET A 69 2.456 7.502 4.974 1.00 0.00 C ATOM 1047 SD MET A 69 2.995 9.108 5.613 1.00 0.00 S ATOM 1048 CE MET A 69 4.237 8.484 6.769 1.00 0.00 C ATOM 0 H MET A 69 -0.855 6.322 6.118 1.00 0.00 H new ATOM 0 HA MET A 69 1.154 8.237 6.981 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.600 6.397 4.890 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.536 7.954 4.089 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.861 6.700 5.592 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.842 7.353 3.966 1.00 0.00 H new ATOM 0 HE1 MET A 69 4.707 9.321 7.285 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.759 7.830 7.499 1.00 0.00 H new ATOM 0 HE3 MET A 69 4.995 7.924 6.221 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.374 9.463 5.229 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.051 10.769 4.925 1.00 0.00 C ATOM 1060 C GLY A 70 -2.136 11.015 3.413 1.00 0.00 C ATOM 1061 O GLY A 70 -1.822 12.089 2.941 1.00 0.00 O ATOM 0 H GLY A 70 -1.835 8.637 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.054 10.769 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.503 11.584 5.398 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.570 10.041 2.654 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.689 10.228 1.170 1.00 0.00 C ATOM 1067 C PHE A 71 -4.010 9.614 0.678 1.00 0.00 C ATOM 1068 O PHE A 71 -4.431 8.588 1.172 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.497 9.463 0.573 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.192 10.176 0.873 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.199 11.288 0.115 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.638 9.708 1.904 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.413 11.932 0.391 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.851 10.352 2.178 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.237 11.463 1.422 1.00 0.00 C ATOM 0 H PHE A 71 -2.848 9.121 2.996 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.685 11.279 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.467 8.453 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.624 9.367 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.435 11.649 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.340 8.849 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.713 12.790 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.488 9.991 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.172 11.960 1.633 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.665 10.220 -0.291 1.00 0.00 N ATOM 1086 CA ASP A 72 -5.953 9.637 -0.802 1.00 0.00 C ATOM 1087 C ASP A 72 -5.716 8.186 -1.237 1.00 0.00 C ATOM 1088 O ASP A 72 -5.018 7.932 -2.197 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.344 10.500 -2.006 1.00 0.00 C ATOM 1090 CG ASP A 72 -6.696 11.911 -1.539 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -7.782 12.086 -1.014 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -5.869 12.790 -1.716 1.00 0.00 O ATOM 0 H ASP A 72 -4.367 11.083 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.737 9.632 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.521 10.538 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.194 10.055 -2.523 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.257 7.232 -0.521 1.00 0.00 N ATOM 1098 CA ALA A 73 -6.014 5.805 -0.888 1.00 0.00 C ATOM 1099 C ALA A 73 -7.271 5.133 -1.449 1.00 0.00 C ATOM 1100 O ALA A 73 -8.325 5.126 -0.839 1.00 0.00 O ATOM 1101 CB ALA A 73 -5.593 5.134 0.420 1.00 0.00 C ATOM 0 H ALA A 73 -6.851 7.378 0.295 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.260 5.722 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.394 4.078 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.691 5.613 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.393 5.232 1.153 1.00 0.00 H new ATOM 1107 N VAL A 74 -7.137 4.537 -2.602 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.273 3.812 -3.237 1.00 0.00 C ATOM 1109 C VAL A 74 -7.723 2.499 -3.806 1.00 0.00 C ATOM 1110 O VAL A 74 -7.401 2.392 -4.979 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.794 4.742 -4.345 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.843 4.010 -5.188 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -9.440 5.980 -3.714 1.00 0.00 C ATOM 0 H VAL A 74 -6.271 4.522 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.082 3.569 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.959 5.041 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.208 4.674 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.393 3.127 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.675 3.708 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.809 6.639 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.271 5.673 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.701 6.510 -3.114 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.562 1.513 -2.962 1.00 0.00 N ATOM 1124 CA ILE A 75 -6.997 0.218 -3.405 1.00 0.00 C ATOM 1125 C ILE A 75 -7.809 -0.397 -4.538 1.00 0.00 C ATOM 1126 O ILE A 75 -9.025 -0.363 -4.561 1.00 0.00 O ATOM 1127 CB ILE A 75 -7.021 -0.698 -2.181 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -8.450 -0.837 -1.641 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -6.104 -0.144 -1.087 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -8.505 -1.970 -0.614 1.00 0.00 C ATOM 0 H ILE A 75 -7.804 1.558 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.987 0.357 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.662 -1.682 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.768 0.099 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.140 -1.041 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.130 -0.805 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.084 -0.081 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.445 0.849 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.521 -2.066 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.205 -2.905 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.828 -1.747 0.210 1.00 0.00 H new ATOM 1142 N HIS A 76 -7.119 -0.974 -5.465 1.00 0.00 N ATOM 1143 CA HIS A 76 -7.790 -1.636 -6.620 1.00 0.00 C ATOM 1144 C HIS A 76 -7.509 -3.146 -6.569 1.00 0.00 C ATOM 1145 O HIS A 76 -7.336 -3.797 -7.582 1.00 0.00 O ATOM 1146 CB HIS A 76 -7.160 -0.987 -7.857 1.00 0.00 C ATOM 1147 CG HIS A 76 -8.029 0.149 -8.323 1.00 0.00 C ATOM 1148 ND1 HIS A 76 -8.098 1.360 -7.647 1.00 0.00 N ATOM 1149 CD2 HIS A 76 -8.877 0.271 -9.395 1.00 0.00 C ATOM 1150 CE1 HIS A 76 -8.962 2.147 -8.313 1.00 0.00 C ATOM 1151 NE2 HIS A 76 -9.466 1.531 -9.385 1.00 0.00 N ATOM 0 H HIS A 76 -6.100 -1.020 -5.479 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.873 -1.517 -6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.161 -0.622 -7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.050 -1.725 -8.652 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -9.059 -0.495 -10.134 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.217 3.154 -8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -10.139 1.905 -10.054 1.00 0.00 H new ATOM 1159 N ASN A 77 -7.458 -3.698 -5.379 1.00 0.00 N ATOM 1160 CA ASN A 77 -7.178 -5.157 -5.223 1.00 0.00 C ATOM 1161 C ASN A 77 -8.424 -5.912 -4.729 1.00 0.00 C ATOM 1162 O ASN A 77 -8.994 -5.565 -3.714 1.00 0.00 O ATOM 1163 CB ASN A 77 -6.080 -5.220 -4.154 1.00 0.00 C ATOM 1164 CG ASN A 77 -4.848 -5.927 -4.711 1.00 0.00 C ATOM 1165 OD1 ASN A 77 -4.113 -5.358 -5.492 1.00 0.00 O ATOM 1166 ND2 ASN A 77 -4.577 -7.142 -4.331 1.00 0.00 N ATOM 0 H ASN A 77 -7.600 -3.194 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.887 -5.617 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.817 -4.213 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.447 -5.750 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.748 -7.615 -4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.194 -7.621 -3.675 1.00 0.00 H new ATOM 1173 N PRO A 78 -8.791 -6.944 -5.449 1.00 0.00 N ATOM 1174 CA PRO A 78 -9.955 -7.775 -5.044 1.00 0.00 C ATOM 1175 C PRO A 78 -9.542 -8.758 -3.929 1.00 0.00 C ATOM 1176 O PRO A 78 -10.371 -9.426 -3.338 1.00 0.00 O ATOM 1177 CB PRO A 78 -10.313 -8.528 -6.322 1.00 0.00 C ATOM 1178 CG PRO A 78 -9.045 -8.585 -7.121 1.00 0.00 C ATOM 1179 CD PRO A 78 -8.171 -7.432 -6.690 1.00 0.00 C ATOM 0 HA PRO A 78 -10.787 -7.192 -4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.681 -9.529 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -11.101 -8.014 -6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.533 -9.533 -6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.263 -8.521 -8.187 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.144 -7.754 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.139 -6.652 -7.451 1.00 0.00 H new ATOM 1187 N ASP A 79 -8.259 -8.851 -3.657 1.00 0.00 N ATOM 1188 CA ASP A 79 -7.751 -9.776 -2.609 1.00 0.00 C ATOM 1189 C ASP A 79 -6.486 -9.186 -1.942 1.00 0.00 C ATOM 1190 O ASP A 79 -6.073 -8.106 -2.340 1.00 0.00 O ATOM 1191 CB ASP A 79 -7.438 -11.078 -3.369 1.00 0.00 C ATOM 1192 CG ASP A 79 -6.260 -10.873 -4.331 1.00 0.00 C ATOM 1193 OD1 ASP A 79 -6.379 -10.062 -5.236 1.00 0.00 O ATOM 1194 OD2 ASP A 79 -5.265 -11.559 -4.158 1.00 0.00 O ATOM 1195 OXT ASP A 79 -5.957 -9.820 -1.041 1.00 0.00 O ATOM 0 H ASP A 79 -7.535 -8.311 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.465 -9.942 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.201 -11.871 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.318 -11.400 -3.926 1.00 0.00 H new TER 1200 ASP A 79 HETATM 1201 CU CU1 A 85 5.952 14.894 -1.098 1.00 0.00 CU