USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 732 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 52 GLN : amide:sc= 0.0295 K(o=0.011,f=-0.66) USER MOD Set 1.2: A 71 ASN : amide:sc= -0.0188 K(o=0.011,f=-3!) USER MOD Set 2.1: A 37 TYR OH : rot 112:sc= 0.664 USER MOD Set 2.2: A 80 GLN :FLIP amide:sc= 0.604 F(o=-0.0095,f=1.3) USER MOD Single : A 18 SER OG : rot -175:sc= -0.853 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.173 USER MOD Single : A 22 THR OG1 : rot -120:sc= 0.159 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 34 GLN : amide:sc= -5.89! C(o=-5.9!,f=-7.4!) USER MOD Single : A 36 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.4!) USER MOD Single : A 39 THR OG1 : rot -31:sc= 1.29 USER MOD Single : A 41 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-1.7) USER MOD Single : A 44 SER OG : rot -47:sc= 1.28 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0194) USER MOD Single : A 50 MET CE :methyl -129:sc= -7.39! (180deg=-12.3!) USER MOD Single : A 51 THR OG1 : rot -125:sc= -1.43! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.23) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -128:sc= -2.41! (180deg=-4.58!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 138:sc= 1.05 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=-0.0022) USER MOD Single : A 87 THR OG1 : rot -26:sc= 0.944 USER MOD Single : A 88 GLN : amide:sc= -2.12! C(o=-2.1!,f=-12!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.62! C(o=-1.6!,f=-9.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -31:sc= 0.284 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 103 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.041) USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.711) USER MOD Single : A 111 SER OG : rot -119:sc= 0.421 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.045 F(o=-1.2!,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 -7.840 36.028 6.518 1.00 0.00 N ATOM 2 CA GLY A 17 -8.893 35.036 6.838 1.00 0.00 C ATOM 3 C GLY A 17 -9.777 34.748 5.647 1.00 0.00 C ATOM 4 O GLY A 17 -9.418 35.076 4.517 1.00 0.00 O ATOM 0 HA2 GLY A 17 -8.428 34.110 7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.503 35.407 7.662 1.00 0.00 H new ATOM 10 N SER A 18 -10.934 34.146 5.888 1.00 0.00 N ATOM 11 CA SER A 18 -11.857 33.828 4.810 1.00 0.00 C ATOM 12 C SER A 18 -12.463 35.105 4.230 1.00 0.00 C ATOM 13 O SER A 18 -12.698 35.194 3.026 1.00 0.00 O ATOM 14 CB SER A 18 -12.948 32.883 5.310 1.00 0.00 C ATOM 15 OG SER A 18 -12.376 31.712 5.871 1.00 0.00 O ATOM 0 H SER A 18 -11.254 33.870 6.816 1.00 0.00 H new ATOM 0 HA SER A 18 -11.307 33.325 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.560 33.389 6.057 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.608 32.613 4.486 1.00 0.00 H new ATOM 0 HG SER A 18 -13.088 31.085 6.115 1.00 0.00 H new ATOM 21 N HIS A 19 -12.709 36.093 5.093 1.00 0.00 N ATOM 22 CA HIS A 19 -13.143 37.412 4.632 1.00 0.00 C ATOM 23 C HIS A 19 -12.844 38.495 5.670 1.00 0.00 C ATOM 24 O HIS A 19 -13.450 39.566 5.651 1.00 0.00 O ATOM 25 CB HIS A 19 -14.633 37.423 4.251 1.00 0.00 C ATOM 26 CG HIS A 19 -15.578 37.064 5.355 1.00 0.00 C ATOM 27 ND1 HIS A 19 -16.272 38.003 6.077 1.00 0.00 N ATOM 28 CD2 HIS A 19 -15.971 35.860 5.832 1.00 0.00 C ATOM 29 CE1 HIS A 19 -17.047 37.398 6.953 1.00 0.00 C ATOM 30 NE2 HIS A 19 -16.889 36.093 6.827 1.00 0.00 N ATOM 0 H HIS A 19 -12.616 36.006 6.105 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.569 37.637 3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -14.890 38.417 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.785 36.729 3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -15.626 34.894 5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -17.703 37.888 7.658 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -17.368 35.379 7.376 1.00 0.00 H new ATOM 39 N MET A 20 -11.902 38.205 6.564 1.00 0.00 N ATOM 40 CA MET A 20 -11.433 39.173 7.557 1.00 0.00 C ATOM 41 C MET A 20 -10.370 38.522 8.429 1.00 0.00 C ATOM 42 O MET A 20 -9.174 38.686 8.195 1.00 0.00 O ATOM 43 CB MET A 20 -12.582 39.696 8.435 1.00 0.00 C ATOM 44 CG MET A 20 -12.264 41.002 9.163 1.00 0.00 C ATOM 45 SD MET A 20 -10.935 40.853 10.380 1.00 0.00 S ATOM 46 CE MET A 20 -10.779 42.551 10.930 1.00 0.00 C ATOM 0 H MET A 20 -11.442 37.296 6.622 1.00 0.00 H new ATOM 0 HA MET A 20 -11.013 40.027 7.026 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.463 39.845 7.811 1.00 0.00 H new ATOM 0 HB3 MET A 20 -12.838 38.935 9.172 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.989 41.759 8.429 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.165 41.357 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.995 42.619 11.685 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.522 43.186 10.082 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.725 42.883 11.358 1.00 0.00 H new ATOM 56 N SER A 21 -10.812 37.764 9.417 1.00 0.00 N ATOM 57 CA SER A 21 -9.906 37.048 10.298 1.00 0.00 C ATOM 58 C SER A 21 -10.205 35.557 10.238 1.00 0.00 C ATOM 59 O SER A 21 -9.403 34.776 9.729 1.00 0.00 O ATOM 60 CB SER A 21 -10.037 37.582 11.727 1.00 0.00 C ATOM 61 OG SER A 21 -11.399 37.692 12.108 1.00 0.00 O ATOM 0 H SER A 21 -11.800 37.628 9.630 1.00 0.00 H new ATOM 0 HA SER A 21 -8.878 37.205 9.972 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.516 36.917 12.416 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.556 38.557 11.800 1.00 0.00 H new ATOM 0 HG SER A 21 -11.456 38.034 13.025 1.00 0.00 H new ATOM 67 N THR A 22 -11.376 35.186 10.742 1.00 0.00 N ATOM 68 CA THR A 22 -11.892 33.828 10.627 1.00 0.00 C ATOM 69 C THR A 22 -10.978 32.820 11.329 1.00 0.00 C ATOM 70 O THR A 22 -10.042 32.281 10.732 1.00 0.00 O ATOM 71 CB THR A 22 -12.070 33.444 9.145 1.00 0.00 C ATOM 72 OG1 THR A 22 -12.541 34.585 8.402 1.00 0.00 O ATOM 73 CG2 THR A 22 -13.068 32.311 9.002 1.00 0.00 C ATOM 0 H THR A 22 -11.996 35.821 11.244 1.00 0.00 H new ATOM 0 HA THR A 22 -12.864 33.800 11.120 1.00 0.00 H new ATOM 0 HB THR A 22 -11.106 33.118 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.406 34.374 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.179 32.055 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.711 31.440 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.032 32.623 9.403 1.00 0.00 H new ATOM 81 N LEU A 23 -11.265 32.562 12.597 1.00 0.00 N ATOM 82 CA LEU A 23 -10.426 31.692 13.413 1.00 0.00 C ATOM 83 C LEU A 23 -10.779 30.224 13.189 1.00 0.00 C ATOM 84 O LEU A 23 -11.250 29.539 14.096 1.00 0.00 O ATOM 85 CB LEU A 23 -10.568 32.040 14.905 1.00 0.00 C ATOM 86 CG LEU A 23 -10.070 33.431 15.322 1.00 0.00 C ATOM 87 CD1 LEU A 23 -11.042 34.524 14.896 1.00 0.00 C ATOM 88 CD2 LEU A 23 -9.848 33.483 16.823 1.00 0.00 C ATOM 0 H LEU A 23 -12.075 32.944 13.085 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.391 31.852 13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.620 31.955 15.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.026 31.293 15.485 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.122 33.610 14.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.657 35.495 15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.154 34.509 13.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.011 34.351 15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.495 34.475 17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.786 33.272 17.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.104 32.739 17.107 1.00 0.00 H new ATOM 100 N GLU A 24 -10.544 29.742 11.977 1.00 0.00 N ATOM 101 CA GLU A 24 -10.839 28.359 11.629 1.00 0.00 C ATOM 102 C GLU A 24 -9.669 27.447 11.980 1.00 0.00 C ATOM 103 O GLU A 24 -8.955 26.962 11.102 1.00 0.00 O ATOM 104 CB GLU A 24 -11.166 28.238 10.140 1.00 0.00 C ATOM 105 CG GLU A 24 -12.379 29.046 9.718 1.00 0.00 C ATOM 106 CD GLU A 24 -13.622 28.681 10.501 1.00 0.00 C ATOM 107 OE1 GLU A 24 -14.289 27.692 10.131 1.00 0.00 O ATOM 108 OE2 GLU A 24 -13.942 29.382 11.484 1.00 0.00 O ATOM 0 H GLU A 24 -10.148 30.291 11.214 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.708 28.046 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.303 28.563 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.336 27.189 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.169 30.107 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.564 28.889 8.655 1.00 0.00 H new ATOM 115 N ARG A 25 -9.468 27.224 13.269 1.00 0.00 N ATOM 116 CA ARG A 25 -8.390 26.365 13.723 1.00 0.00 C ATOM 117 C ARG A 25 -8.924 24.966 14.005 1.00 0.00 C ATOM 118 O ARG A 25 -9.426 24.685 15.095 1.00 0.00 O ATOM 119 CB ARG A 25 -7.726 26.949 14.972 1.00 0.00 C ATOM 120 CG ARG A 25 -7.302 28.400 14.807 1.00 0.00 C ATOM 121 CD ARG A 25 -6.370 28.833 15.922 1.00 0.00 C ATOM 122 NE ARG A 25 -5.068 28.173 15.828 1.00 0.00 N ATOM 123 CZ ARG A 25 -4.086 28.332 16.712 1.00 0.00 C ATOM 124 NH1 ARG A 25 -4.270 29.089 17.787 1.00 0.00 N ATOM 125 NH2 ARG A 25 -2.920 27.728 16.528 1.00 0.00 N ATOM 0 H ARG A 25 -10.036 27.625 14.016 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.637 26.302 12.937 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.417 26.873 15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.852 26.349 15.224 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.806 28.529 13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.184 29.040 14.799 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.233 29.914 15.883 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.825 28.604 16.886 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.902 27.552 15.036 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.167 29.551 17.938 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.515 29.208 18.462 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.774 27.140 15.707 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.169 27.851 17.207 1.00 0.00 H new ATOM 139 N VAL A 26 -8.839 24.103 13.004 1.00 0.00 N ATOM 140 CA VAL A 26 -9.329 22.738 13.122 1.00 0.00 C ATOM 141 C VAL A 26 -8.199 21.791 13.509 1.00 0.00 C ATOM 142 O VAL A 26 -7.059 22.219 13.705 1.00 0.00 O ATOM 143 CB VAL A 26 -9.980 22.254 11.808 1.00 0.00 C ATOM 144 CG1 VAL A 26 -11.219 23.081 11.494 1.00 0.00 C ATOM 145 CG2 VAL A 26 -8.986 22.315 10.657 1.00 0.00 C ATOM 0 H VAL A 26 -8.433 24.326 12.095 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.087 22.734 13.905 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.282 21.215 11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.666 22.728 10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.940 22.979 12.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.939 24.129 11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.467 21.969 9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.647 23.342 10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.131 21.677 10.881 1.00 0.00 H new ATOM 155 N VAL A 27 -8.517 20.508 13.617 1.00 0.00 N ATOM 156 CA VAL A 27 -7.545 19.512 14.029 1.00 0.00 C ATOM 157 C VAL A 27 -7.589 18.310 13.077 1.00 0.00 C ATOM 158 O VAL A 27 -8.389 18.298 12.139 1.00 0.00 O ATOM 159 CB VAL A 27 -7.804 19.065 15.495 1.00 0.00 C ATOM 160 CG1 VAL A 27 -8.893 18.002 15.563 1.00 0.00 C ATOM 161 CG2 VAL A 27 -6.525 18.590 16.176 1.00 0.00 C ATOM 0 H VAL A 27 -9.446 20.134 13.423 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.550 19.955 13.985 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.156 19.939 16.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.052 17.709 16.601 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.820 18.404 15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.588 17.131 14.983 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.749 18.286 17.199 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.114 17.743 15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.797 19.401 16.189 1.00 0.00 H new ATOM 171 N TYR A 28 -6.726 17.325 13.307 1.00 0.00 N ATOM 172 CA TYR A 28 -6.704 16.098 12.519 1.00 0.00 C ATOM 173 C TYR A 28 -8.096 15.479 12.375 1.00 0.00 C ATOM 174 O TYR A 28 -8.834 15.336 13.353 1.00 0.00 O ATOM 175 CB TYR A 28 -5.778 15.074 13.178 1.00 0.00 C ATOM 176 CG TYR A 28 -4.306 15.421 13.125 1.00 0.00 C ATOM 177 CD1 TYR A 28 -3.572 15.209 11.970 1.00 0.00 C ATOM 178 CD2 TYR A 28 -3.648 15.934 14.238 1.00 0.00 C ATOM 179 CE1 TYR A 28 -2.222 15.501 11.916 1.00 0.00 C ATOM 180 CE2 TYR A 28 -2.296 16.225 14.196 1.00 0.00 C ATOM 181 CZ TYR A 28 -1.589 16.007 13.032 1.00 0.00 C ATOM 182 OH TYR A 28 -0.239 16.283 12.987 1.00 0.00 O ATOM 0 H TYR A 28 -6.022 17.355 14.045 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.342 16.362 11.525 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.072 14.958 14.221 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.926 14.108 12.696 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.063 14.808 11.096 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.201 16.108 15.149 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.666 15.334 11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.798 16.620 15.069 1.00 0.00 H new ATOM 0 HH TYR A 28 0.052 16.634 13.854 1.00 0.00 H new ATOM 192 N ARG A 29 -8.460 15.148 11.144 1.00 0.00 N ATOM 193 CA ARG A 29 -9.656 14.372 10.881 1.00 0.00 C ATOM 194 C ARG A 29 -9.322 13.220 9.944 1.00 0.00 C ATOM 195 O ARG A 29 -8.803 13.440 8.849 1.00 0.00 O ATOM 196 CB ARG A 29 -10.766 15.229 10.268 1.00 0.00 C ATOM 197 CG ARG A 29 -12.055 14.447 10.066 1.00 0.00 C ATOM 198 CD ARG A 29 -13.162 15.285 9.453 1.00 0.00 C ATOM 199 NE ARG A 29 -14.417 14.537 9.402 1.00 0.00 N ATOM 200 CZ ARG A 29 -15.621 15.094 9.281 1.00 0.00 C ATOM 201 NH1 ARG A 29 -15.736 16.405 9.112 1.00 0.00 N ATOM 202 NH2 ARG A 29 -16.709 14.332 9.305 1.00 0.00 N ATOM 0 H ARG A 29 -7.937 15.409 10.308 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.020 13.986 11.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.960 16.085 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.429 15.624 9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.857 13.589 9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.391 14.056 11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.300 16.195 10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.876 15.592 8.447 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.367 13.520 9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.901 16.990 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.659 16.828 9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.622 13.322 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.632 14.757 9.212 1.00 0.00 H new ATOM 216 N PRO A 30 -9.578 11.979 10.381 1.00 0.00 N ATOM 217 CA PRO A 30 -9.384 10.792 9.548 1.00 0.00 C ATOM 218 C PRO A 30 -10.112 10.899 8.208 1.00 0.00 C ATOM 219 O PRO A 30 -11.337 11.062 8.162 1.00 0.00 O ATOM 220 CB PRO A 30 -9.993 9.672 10.388 1.00 0.00 C ATOM 221 CG PRO A 30 -9.904 10.149 11.790 1.00 0.00 C ATOM 222 CD PRO A 30 -10.042 11.636 11.733 1.00 0.00 C ATOM 0 HA PRO A 30 -8.335 10.638 9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.027 9.482 10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.448 8.738 10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.691 9.708 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.953 9.863 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.074 11.949 11.893 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.439 12.124 12.499 1.00 0.00 H new ATOM 230 N ASP A 31 -9.345 10.780 7.133 1.00 0.00 N ATOM 231 CA ASP A 31 -9.868 10.861 5.773 1.00 0.00 C ATOM 232 C ASP A 31 -8.727 10.702 4.788 1.00 0.00 C ATOM 233 O ASP A 31 -7.987 11.648 4.516 1.00 0.00 O ATOM 234 CB ASP A 31 -10.547 12.203 5.522 1.00 0.00 C ATOM 235 CG ASP A 31 -11.147 12.314 4.132 1.00 0.00 C ATOM 236 OD1 ASP A 31 -12.163 11.642 3.858 1.00 0.00 O ATOM 237 OD2 ASP A 31 -10.603 13.075 3.303 1.00 0.00 O ATOM 0 H ASP A 31 -8.338 10.624 7.178 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.603 10.067 5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.332 12.351 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.821 13.003 5.663 1.00 0.00 H new ATOM 242 N ILE A 32 -8.558 9.501 4.292 1.00 0.00 N ATOM 243 CA ILE A 32 -7.503 9.225 3.335 1.00 0.00 C ATOM 244 C ILE A 32 -7.837 9.808 1.970 1.00 0.00 C ATOM 245 O ILE A 32 -8.977 9.753 1.516 1.00 0.00 O ATOM 246 CB ILE A 32 -7.229 7.721 3.195 1.00 0.00 C ATOM 247 CG1 ILE A 32 -6.861 7.134 4.553 1.00 0.00 C ATOM 248 CG2 ILE A 32 -6.108 7.485 2.195 1.00 0.00 C ATOM 249 CD1 ILE A 32 -5.529 7.621 5.076 1.00 0.00 C ATOM 0 H ILE A 32 -9.135 8.695 4.532 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.602 9.702 3.721 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.129 7.227 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.640 7.386 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.838 6.047 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.922 6.415 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.396 7.888 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.202 7.983 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.330 7.164 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.740 7.345 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.555 8.705 5.184 1.00 0.00 H new ATOM 261 N ASN A 33 -6.822 10.355 1.332 1.00 0.00 N ATOM 262 CA ASN A 33 -6.964 11.003 0.037 1.00 0.00 C ATOM 263 C ASN A 33 -6.531 10.052 -1.064 1.00 0.00 C ATOM 264 O ASN A 33 -6.716 10.316 -2.251 1.00 0.00 O ATOM 265 CB ASN A 33 -6.062 12.236 -0.013 1.00 0.00 C ATOM 266 CG ASN A 33 -6.099 13.043 1.267 1.00 0.00 C ATOM 267 OD1 ASN A 33 -6.927 13.934 1.437 1.00 0.00 O ATOM 268 ND2 ASN A 33 -5.178 12.741 2.172 1.00 0.00 N ATOM 0 H ASN A 33 -5.869 10.364 1.696 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.007 11.287 -0.104 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.037 11.923 -0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.367 12.870 -0.846 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.138 13.257 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.509 11.993 1.989 1.00 0.00 H new ATOM 275 N GLN A 34 -5.961 8.936 -0.652 1.00 0.00 N ATOM 276 CA GLN A 34 -5.225 8.078 -1.558 1.00 0.00 C ATOM 277 C GLN A 34 -5.700 6.637 -1.513 1.00 0.00 C ATOM 278 O GLN A 34 -4.900 5.705 -1.409 1.00 0.00 O ATOM 279 CB GLN A 34 -3.744 8.164 -1.234 1.00 0.00 C ATOM 280 CG GLN A 34 -3.463 8.123 0.256 1.00 0.00 C ATOM 281 CD GLN A 34 -2.031 8.440 0.602 1.00 0.00 C ATOM 282 OE1 GLN A 34 -1.662 9.602 0.762 1.00 0.00 O ATOM 283 NE2 GLN A 34 -1.220 7.411 0.759 1.00 0.00 N ATOM 0 H GLN A 34 -5.995 8.601 0.311 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.406 8.429 -2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.222 7.339 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.339 9.087 -1.650 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.117 8.833 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.711 7.133 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.566 6.462 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.247 7.564 1.023 1.00 0.00 H new ATOM 292 N GLY A 35 -6.998 6.466 -1.606 1.00 0.00 N ATOM 293 CA GLY A 35 -7.574 5.142 -1.734 1.00 0.00 C ATOM 294 C GLY A 35 -7.464 4.628 -3.157 1.00 0.00 C ATOM 295 O GLY A 35 -8.453 4.219 -3.762 1.00 0.00 O ATOM 0 H GLY A 35 -7.678 7.226 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.066 4.455 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.622 5.168 -1.435 1.00 0.00 H new ATOM 299 N ASN A 36 -6.252 4.673 -3.690 1.00 0.00 N ATOM 300 CA ASN A 36 -5.984 4.278 -5.067 1.00 0.00 C ATOM 301 C ASN A 36 -4.967 3.144 -5.070 1.00 0.00 C ATOM 302 O ASN A 36 -5.142 2.122 -5.736 1.00 0.00 O ATOM 303 CB ASN A 36 -5.454 5.485 -5.855 1.00 0.00 C ATOM 304 CG ASN A 36 -5.397 5.263 -7.352 1.00 0.00 C ATOM 305 OD1 ASN A 36 -5.234 4.142 -7.834 1.00 0.00 O ATOM 306 ND2 ASN A 36 -5.527 6.340 -8.100 1.00 0.00 N ATOM 0 H ASN A 36 -5.425 4.985 -3.180 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.902 3.932 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.088 6.348 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.455 5.731 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.494 6.262 -9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.661 7.252 -7.663 1.00 0.00 H new ATOM 313 N TYR A 37 -3.903 3.345 -4.313 1.00 0.00 N ATOM 314 CA TYR A 37 -2.907 2.317 -4.078 1.00 0.00 C ATOM 315 C TYR A 37 -3.055 1.809 -2.647 1.00 0.00 C ATOM 316 O TYR A 37 -4.098 2.023 -2.028 1.00 0.00 O ATOM 317 CB TYR A 37 -1.500 2.873 -4.344 1.00 0.00 C ATOM 318 CG TYR A 37 -1.320 4.306 -3.899 1.00 0.00 C ATOM 319 CD1 TYR A 37 -1.232 4.631 -2.555 1.00 0.00 C ATOM 320 CD2 TYR A 37 -1.248 5.335 -4.829 1.00 0.00 C ATOM 321 CE1 TYR A 37 -1.076 5.941 -2.148 1.00 0.00 C ATOM 322 CE2 TYR A 37 -1.097 6.647 -4.432 1.00 0.00 C ATOM 323 CZ TYR A 37 -1.010 6.945 -3.091 1.00 0.00 C ATOM 324 OH TYR A 37 -0.866 8.254 -2.691 1.00 0.00 O ATOM 0 H TYR A 37 -3.706 4.228 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.057 1.481 -4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.769 2.248 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.287 2.803 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.286 3.847 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.311 5.104 -5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.006 6.178 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.047 7.435 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 37 0.019 8.581 -2.954 1.00 0.00 H new ATOM 334 N LEU A 38 -2.046 1.141 -2.117 1.00 0.00 N ATOM 335 CA LEU A 38 -2.140 0.624 -0.761 1.00 0.00 C ATOM 336 C LEU A 38 -1.804 1.701 0.261 1.00 0.00 C ATOM 337 O LEU A 38 -1.052 2.636 -0.020 1.00 0.00 O ATOM 338 CB LEU A 38 -1.215 -0.572 -0.542 1.00 0.00 C ATOM 339 CG LEU A 38 -1.572 -1.415 0.679 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.554 -2.493 0.285 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.345 -2.019 1.332 1.00 0.00 C ATOM 0 H LEU A 38 -1.166 0.945 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.172 0.300 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.240 -1.206 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.191 -0.213 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.033 -0.759 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.806 -3.093 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.459 -2.033 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.107 -3.132 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.647 -2.610 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.170 -2.659 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.325 -1.222 1.654 1.00 0.00 H new ATOM 353 N THR A 39 -2.388 1.566 1.434 1.00 0.00 N ATOM 354 CA THR A 39 -2.097 2.440 2.551 1.00 0.00 C ATOM 355 C THR A 39 -1.734 1.627 3.789 1.00 0.00 C ATOM 356 O THR A 39 -1.669 0.397 3.738 1.00 0.00 O ATOM 357 CB THR A 39 -3.288 3.357 2.890 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.368 2.586 3.431 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.764 4.095 1.656 1.00 0.00 C ATOM 0 H THR A 39 -3.080 0.845 1.640 1.00 0.00 H new ATOM 0 HA THR A 39 -1.253 3.061 2.252 1.00 0.00 H new ATOM 0 HB THR A 39 -2.956 4.085 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.353 1.685 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.605 4.737 1.918 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.952 4.705 1.261 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.078 3.375 0.900 1.00 0.00 H new ATOM 367 N ALA A 40 -1.530 2.311 4.903 1.00 0.00 N ATOM 368 CA ALA A 40 -1.218 1.640 6.161 1.00 0.00 C ATOM 369 C ALA A 40 -2.432 0.889 6.692 1.00 0.00 C ATOM 370 O ALA A 40 -2.303 -0.155 7.333 1.00 0.00 O ATOM 371 CB ALA A 40 -0.738 2.644 7.188 1.00 0.00 C ATOM 0 H ALA A 40 -1.574 3.328 4.965 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.423 0.919 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.509 2.129 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.159 3.142 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.518 3.385 7.364 1.00 0.00 H new ATOM 377 N ASN A 41 -3.613 1.426 6.403 1.00 0.00 N ATOM 378 CA ASN A 41 -4.865 0.814 6.832 1.00 0.00 C ATOM 379 C ASN A 41 -4.981 -0.576 6.249 1.00 0.00 C ATOM 380 O ASN A 41 -5.392 -1.521 6.917 1.00 0.00 O ATOM 381 CB ASN A 41 -6.062 1.649 6.375 1.00 0.00 C ATOM 382 CG ASN A 41 -6.151 2.992 7.071 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.686 3.155 8.194 1.00 0.00 O ATOM 384 ND2 ASN A 41 -6.758 3.964 6.408 1.00 0.00 N ATOM 0 H ASN A 41 -3.729 2.288 5.871 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.864 0.763 7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.997 1.808 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.979 1.090 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.852 4.888 6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.132 3.789 5.475 1.00 0.00 H new ATOM 391 N ASP A 42 -4.590 -0.687 4.997 1.00 0.00 N ATOM 392 CA ASP A 42 -4.627 -1.956 4.293 1.00 0.00 C ATOM 393 C ASP A 42 -3.610 -2.929 4.874 1.00 0.00 C ATOM 394 O ASP A 42 -3.872 -4.122 4.970 1.00 0.00 O ATOM 395 CB ASP A 42 -4.351 -1.749 2.812 1.00 0.00 C ATOM 396 CG ASP A 42 -5.338 -0.813 2.155 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.396 -1.289 1.691 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.056 0.405 2.094 1.00 0.00 O ATOM 0 H ASP A 42 -4.240 0.092 4.440 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.624 -2.379 4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.343 -1.352 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.379 -2.713 2.304 1.00 0.00 H new ATOM 403 N VAL A 43 -2.453 -2.414 5.270 1.00 0.00 N ATOM 404 CA VAL A 43 -1.417 -3.245 5.872 1.00 0.00 C ATOM 405 C VAL A 43 -1.922 -3.915 7.146 1.00 0.00 C ATOM 406 O VAL A 43 -1.649 -5.087 7.390 1.00 0.00 O ATOM 407 CB VAL A 43 -0.141 -2.439 6.194 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.854 -3.306 6.935 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.499 -1.919 4.934 1.00 0.00 C ATOM 0 H VAL A 43 -2.208 -1.427 5.186 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.166 -4.008 5.135 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.429 -1.594 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.749 -2.725 7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.409 -3.655 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.121 -4.163 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.396 -1.354 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.767 -2.756 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.203 -1.269 4.411 1.00 0.00 H new ATOM 419 N SER A 44 -2.674 -3.172 7.946 1.00 0.00 N ATOM 420 CA SER A 44 -3.216 -3.704 9.190 1.00 0.00 C ATOM 421 C SER A 44 -4.206 -4.837 8.917 1.00 0.00 C ATOM 422 O SER A 44 -4.516 -5.638 9.803 1.00 0.00 O ATOM 423 CB SER A 44 -3.889 -2.598 9.996 1.00 0.00 C ATOM 424 OG SER A 44 -5.097 -2.166 9.392 1.00 0.00 O ATOM 0 H SER A 44 -2.923 -2.201 7.757 1.00 0.00 H new ATOM 0 HA SER A 44 -2.387 -4.108 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.095 -2.957 11.004 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.208 -1.752 10.092 1.00 0.00 H new ATOM 0 HG SER A 44 -4.948 -2.013 8.436 1.00 0.00 H new ATOM 430 N LYS A 45 -4.702 -4.889 7.685 1.00 0.00 N ATOM 431 CA LYS A 45 -5.677 -5.890 7.283 1.00 0.00 C ATOM 432 C LYS A 45 -5.031 -7.246 7.030 1.00 0.00 C ATOM 433 O LYS A 45 -5.679 -8.280 7.178 1.00 0.00 O ATOM 434 CB LYS A 45 -6.409 -5.424 6.034 1.00 0.00 C ATOM 435 CG LYS A 45 -7.222 -4.160 6.258 1.00 0.00 C ATOM 436 CD LYS A 45 -7.882 -3.706 4.977 1.00 0.00 C ATOM 437 CE LYS A 45 -8.866 -4.747 4.487 1.00 0.00 C ATOM 438 NZ LYS A 45 -10.109 -4.763 5.302 1.00 0.00 N ATOM 0 H LYS A 45 -4.440 -4.241 6.942 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.385 -6.011 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.684 -5.247 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.071 -6.219 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.982 -4.342 7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.575 -3.370 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.397 -2.760 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.124 -3.527 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.118 -4.547 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.399 -5.731 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.783 -5.441 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.881 -5.046 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.533 -3.813 5.307 1.00 0.00 H new ATOM 452 N ILE A 46 -3.764 -7.256 6.630 1.00 0.00 N ATOM 453 CA ILE A 46 -3.087 -8.507 6.392 1.00 0.00 C ATOM 454 C ILE A 46 -2.411 -9.025 7.638 1.00 0.00 C ATOM 455 O ILE A 46 -2.360 -8.359 8.672 1.00 0.00 O ATOM 456 CB ILE A 46 -2.048 -8.448 5.260 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.954 -7.404 5.507 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.742 -8.205 3.941 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.186 -7.527 4.522 1.00 0.00 C ATOM 0 H ILE A 46 -3.200 -6.422 6.468 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.880 -9.189 6.084 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.542 -9.413 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.385 -6.405 5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.570 -7.516 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.001 -8.164 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.443 -9.016 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.283 -7.260 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.936 -6.766 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.636 -8.516 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.192 -7.388 3.509 1.00 0.00 H new ATOM 471 N ARG A 47 -1.882 -10.222 7.511 1.00 0.00 N ATOM 472 CA ARG A 47 -1.263 -10.911 8.624 1.00 0.00 C ATOM 473 C ARG A 47 -0.405 -12.044 8.109 1.00 0.00 C ATOM 474 O ARG A 47 -0.746 -12.702 7.123 1.00 0.00 O ATOM 475 CB ARG A 47 -2.325 -11.455 9.595 1.00 0.00 C ATOM 476 CG ARG A 47 -3.264 -12.492 8.985 1.00 0.00 C ATOM 477 CD ARG A 47 -4.408 -11.858 8.202 1.00 0.00 C ATOM 478 NE ARG A 47 -5.271 -11.039 9.053 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.565 -10.813 8.817 1.00 0.00 C ATOM 480 NH1 ARG A 47 -7.172 -11.365 7.770 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.259 -10.038 9.638 1.00 0.00 N ATOM 0 H ARG A 47 -1.868 -10.745 6.635 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.639 -10.200 9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.821 -11.899 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.918 -10.621 9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.696 -13.147 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.674 -13.117 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.000 -11.242 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.002 -12.641 7.731 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.856 -10.612 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.648 -11.969 7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.161 -11.184 7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.804 -9.616 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.248 -9.863 9.460 1.00 0.00 H new ATOM 495 N VAL A 48 0.714 -12.257 8.773 1.00 0.00 N ATOM 496 CA VAL A 48 1.639 -13.297 8.390 1.00 0.00 C ATOM 497 C VAL A 48 1.023 -14.655 8.680 1.00 0.00 C ATOM 498 O VAL A 48 0.335 -14.828 9.685 1.00 0.00 O ATOM 499 CB VAL A 48 2.964 -13.165 9.147 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.116 -13.668 8.301 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.191 -11.728 9.561 1.00 0.00 C ATOM 0 H VAL A 48 1.003 -11.716 9.588 1.00 0.00 H new ATOM 0 HA VAL A 48 1.842 -13.199 7.324 1.00 0.00 H new ATOM 0 HB VAL A 48 2.912 -13.779 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.048 -13.565 8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.955 -14.717 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.175 -13.084 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.136 -11.649 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.223 -11.095 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.377 -11.403 10.209 1.00 0.00 H new ATOM 511 N GLY A 49 1.264 -15.608 7.808 1.00 0.00 N ATOM 512 CA GLY A 49 0.648 -16.904 7.952 1.00 0.00 C ATOM 513 C GLY A 49 -0.205 -17.257 6.757 1.00 0.00 C ATOM 514 O GLY A 49 -0.345 -18.431 6.416 1.00 0.00 O ATOM 0 H GLY A 49 1.877 -15.510 6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.421 -17.661 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.034 -16.916 8.853 1.00 0.00 H new ATOM 518 N MET A 50 -0.786 -16.247 6.113 1.00 0.00 N ATOM 519 CA MET A 50 -1.560 -16.495 4.908 1.00 0.00 C ATOM 520 C MET A 50 -0.665 -16.486 3.680 1.00 0.00 C ATOM 521 O MET A 50 0.532 -16.205 3.769 1.00 0.00 O ATOM 522 CB MET A 50 -2.735 -15.521 4.735 1.00 0.00 C ATOM 523 CG MET A 50 -2.399 -14.043 4.802 1.00 0.00 C ATOM 524 SD MET A 50 -3.869 -13.018 4.553 1.00 0.00 S ATOM 525 CE MET A 50 -3.169 -11.377 4.508 1.00 0.00 C ATOM 0 H MET A 50 -0.736 -15.270 6.401 1.00 0.00 H new ATOM 0 HA MET A 50 -1.996 -17.487 5.020 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.206 -15.721 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.476 -15.739 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.954 -13.813 5.770 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.654 -13.803 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.708 -10.732 5.202 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.118 -11.422 4.795 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.252 -10.973 3.499 1.00 0.00 H new ATOM 535 N THR A 51 -1.253 -16.801 2.542 1.00 0.00 N ATOM 536 CA THR A 51 -0.495 -17.019 1.326 1.00 0.00 C ATOM 537 C THR A 51 -0.379 -15.755 0.500 1.00 0.00 C ATOM 538 O THR A 51 -0.739 -14.663 0.950 1.00 0.00 O ATOM 539 CB THR A 51 -1.151 -18.096 0.450 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.348 -17.594 -0.146 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.498 -19.300 1.273 1.00 0.00 C ATOM 0 H THR A 51 -2.261 -16.912 2.435 1.00 0.00 H new ATOM 0 HA THR A 51 0.498 -17.341 1.641 1.00 0.00 H new ATOM 0 HB THR A 51 -0.439 -18.373 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.096 -18.188 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.962 -20.054 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.592 -19.709 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.193 -19.013 2.062 1.00 0.00 H new ATOM 549 N GLN A 52 0.116 -15.917 -0.714 1.00 0.00 N ATOM 550 CA GLN A 52 0.156 -14.835 -1.662 1.00 0.00 C ATOM 551 C GLN A 52 -1.251 -14.444 -2.088 1.00 0.00 C ATOM 552 O GLN A 52 -1.596 -13.261 -2.093 1.00 0.00 O ATOM 553 CB GLN A 52 0.976 -15.225 -2.884 1.00 0.00 C ATOM 554 CG GLN A 52 2.457 -15.384 -2.596 1.00 0.00 C ATOM 555 CD GLN A 52 3.268 -15.685 -3.840 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.783 -16.310 -4.781 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.513 -15.238 -3.852 1.00 0.00 N ATOM 0 H GLN A 52 0.497 -16.797 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 52 0.628 -13.979 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.590 -16.162 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.844 -14.468 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.833 -14.471 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.598 -16.187 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.878 -14.723 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.108 -15.408 -4.663 1.00 0.00 H new ATOM 566 N GLN A 53 -2.077 -15.438 -2.410 1.00 0.00 N ATOM 567 CA GLN A 53 -3.417 -15.153 -2.907 1.00 0.00 C ATOM 568 C GLN A 53 -4.209 -14.413 -1.852 1.00 0.00 C ATOM 569 O GLN A 53 -4.948 -13.483 -2.152 1.00 0.00 O ATOM 570 CB GLN A 53 -4.161 -16.426 -3.322 1.00 0.00 C ATOM 571 CG GLN A 53 -4.438 -17.395 -2.201 1.00 0.00 C ATOM 572 CD GLN A 53 -5.494 -18.415 -2.565 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.192 -19.478 -3.107 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.743 -18.098 -2.271 1.00 0.00 N ATOM 0 H GLN A 53 -1.846 -16.429 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.313 -14.531 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.109 -16.142 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.577 -16.937 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.516 -17.911 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.760 -16.842 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.951 -17.206 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.499 -18.745 -2.494 1.00 0.00 H new ATOM 583 N GLN A 54 -4.010 -14.820 -0.614 1.00 0.00 N ATOM 584 CA GLN A 54 -4.694 -14.203 0.507 1.00 0.00 C ATOM 585 C GLN A 54 -4.360 -12.720 0.578 1.00 0.00 C ATOM 586 O GLN A 54 -5.243 -11.875 0.734 1.00 0.00 O ATOM 587 CB GLN A 54 -4.280 -14.863 1.815 1.00 0.00 C ATOM 588 CG GLN A 54 -4.452 -16.369 1.849 1.00 0.00 C ATOM 589 CD GLN A 54 -5.631 -16.803 2.692 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.659 -16.131 2.746 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.456 -17.895 3.413 1.00 0.00 N ATOM 0 H GLN A 54 -3.378 -15.578 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.766 -14.332 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.234 -14.626 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.862 -14.426 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.582 -16.739 0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.543 -16.826 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.586 -18.423 3.337 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.190 -18.211 4.046 1.00 0.00 H new ATOM 600 N VAL A 55 -3.077 -12.409 0.450 1.00 0.00 N ATOM 601 CA VAL A 55 -2.619 -11.047 0.579 1.00 0.00 C ATOM 602 C VAL A 55 -2.998 -10.208 -0.626 1.00 0.00 C ATOM 603 O VAL A 55 -3.447 -9.085 -0.469 1.00 0.00 O ATOM 604 CB VAL A 55 -1.105 -10.979 0.791 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.626 -9.543 0.699 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.749 -11.564 2.134 1.00 0.00 C ATOM 0 H VAL A 55 -2.340 -13.088 0.257 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.117 -10.638 1.458 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.612 -11.559 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.453 -9.509 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.866 -9.142 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.120 -8.945 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.330 -11.513 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.248 -10.999 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.071 -12.604 2.175 1.00 0.00 H new ATOM 616 N ALA A 56 -2.833 -10.745 -1.828 1.00 0.00 N ATOM 617 CA ALA A 56 -3.176 -9.984 -3.028 1.00 0.00 C ATOM 618 C ALA A 56 -4.665 -9.675 -3.048 1.00 0.00 C ATOM 619 O ALA A 56 -5.108 -8.725 -3.681 1.00 0.00 O ATOM 620 CB ALA A 56 -2.772 -10.714 -4.300 1.00 0.00 C ATOM 0 H ALA A 56 -2.472 -11.683 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.615 -9.050 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.046 -10.113 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.695 -10.879 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.286 -11.674 -4.347 1.00 0.00 H new ATOM 626 N TYR A 57 -5.436 -10.491 -2.349 1.00 0.00 N ATOM 627 CA TYR A 57 -6.863 -10.270 -2.244 1.00 0.00 C ATOM 628 C TYR A 57 -7.170 -9.198 -1.199 1.00 0.00 C ATOM 629 O TYR A 57 -8.049 -8.358 -1.391 1.00 0.00 O ATOM 630 CB TYR A 57 -7.559 -11.584 -1.924 1.00 0.00 C ATOM 631 CG TYR A 57 -7.701 -12.486 -3.134 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.851 -12.343 -4.229 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.675 -13.471 -3.187 1.00 0.00 C ATOM 634 CE1 TYR A 57 -6.969 -13.154 -5.333 1.00 0.00 C ATOM 635 CE2 TYR A 57 -8.798 -14.291 -4.294 1.00 0.00 C ATOM 636 CZ TYR A 57 -7.942 -14.127 -5.366 1.00 0.00 C ATOM 637 OH TYR A 57 -8.054 -14.944 -6.470 1.00 0.00 O ATOM 0 H TYR A 57 -5.095 -11.311 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.243 -9.904 -3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.997 -12.108 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.547 -11.376 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.086 -11.581 -4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.347 -13.600 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.300 -13.028 -6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.560 -15.056 -4.320 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.789 -15.578 -6.335 1.00 0.00 H new ATOM 647 N ALA A 58 -6.427 -9.231 -0.095 1.00 0.00 N ATOM 648 CA ALA A 58 -6.576 -8.253 0.982 1.00 0.00 C ATOM 649 C ALA A 58 -5.957 -6.904 0.620 1.00 0.00 C ATOM 650 O ALA A 58 -6.544 -5.847 0.856 1.00 0.00 O ATOM 651 CB ALA A 58 -5.933 -8.787 2.255 1.00 0.00 C ATOM 0 H ALA A 58 -5.708 -9.933 0.079 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.643 -8.096 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.046 -8.055 3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.419 -9.719 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.873 -8.970 2.078 1.00 0.00 H new ATOM 657 N LEU A 59 -4.768 -6.960 0.045 1.00 0.00 N ATOM 658 CA LEU A 59 -3.963 -5.777 -0.223 1.00 0.00 C ATOM 659 C LEU A 59 -4.202 -5.232 -1.627 1.00 0.00 C ATOM 660 O LEU A 59 -3.766 -4.132 -1.962 1.00 0.00 O ATOM 661 CB LEU A 59 -2.486 -6.141 -0.036 1.00 0.00 C ATOM 662 CG LEU A 59 -1.767 -5.396 1.077 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.694 -5.226 2.259 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.529 -6.158 1.483 1.00 0.00 C ATOM 0 H LEU A 59 -4.330 -7.832 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.251 -4.991 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.415 -7.211 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.962 -5.954 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.470 -4.410 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.175 -4.692 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.573 -4.658 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.004 -6.206 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.016 -5.621 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.812 -7.150 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.136 -6.255 0.625 1.00 0.00 H new ATOM 676 N GLY A 60 -4.910 -5.995 -2.439 1.00 0.00 N ATOM 677 CA GLY A 60 -5.070 -5.631 -3.827 1.00 0.00 C ATOM 678 C GLY A 60 -3.883 -6.099 -4.639 1.00 0.00 C ATOM 679 O GLY A 60 -2.739 -5.857 -4.260 1.00 0.00 O ATOM 0 H GLY A 60 -5.376 -6.859 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.985 -6.073 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.175 -4.550 -3.915 1.00 0.00 H new ATOM 683 N THR A 61 -4.147 -6.793 -5.735 1.00 0.00 N ATOM 684 CA THR A 61 -3.100 -7.358 -6.545 1.00 0.00 C ATOM 685 C THR A 61 -2.103 -6.296 -7.007 1.00 0.00 C ATOM 686 O THR A 61 -2.469 -5.222 -7.494 1.00 0.00 O ATOM 687 CB THR A 61 -3.680 -8.108 -7.748 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.555 -7.244 -8.486 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.442 -9.344 -7.285 1.00 0.00 C ATOM 0 H THR A 61 -5.090 -6.975 -6.079 1.00 0.00 H new ATOM 0 HA THR A 61 -2.560 -8.070 -5.920 1.00 0.00 H new ATOM 0 HB THR A 61 -2.860 -8.423 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.921 -7.729 -9.255 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.848 -9.867 -8.151 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.766 -10.007 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.257 -9.043 -6.627 1.00 0.00 H new ATOM 697 N PRO A 62 -0.828 -6.629 -6.815 1.00 0.00 N ATOM 698 CA PRO A 62 0.336 -5.772 -7.094 1.00 0.00 C ATOM 699 C PRO A 62 0.368 -5.141 -8.486 1.00 0.00 C ATOM 700 O PRO A 62 -0.350 -5.560 -9.392 1.00 0.00 O ATOM 701 CB PRO A 62 1.506 -6.737 -6.961 1.00 0.00 C ATOM 702 CG PRO A 62 1.043 -7.791 -6.020 1.00 0.00 C ATOM 703 CD PRO A 62 -0.440 -7.915 -6.231 1.00 0.00 C ATOM 0 HA PRO A 62 0.337 -4.916 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.775 -7.164 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.392 -6.230 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.545 -8.738 -6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.269 -7.519 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.680 -8.744 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.962 -8.100 -5.292 1.00 0.00 H new ATOM 711 N LEU A 63 1.243 -4.153 -8.640 1.00 0.00 N ATOM 712 CA LEU A 63 1.383 -3.384 -9.877 1.00 0.00 C ATOM 713 C LEU A 63 1.556 -4.294 -11.089 1.00 0.00 C ATOM 714 O LEU A 63 0.859 -4.148 -12.099 1.00 0.00 O ATOM 715 CB LEU A 63 2.603 -2.484 -9.749 1.00 0.00 C ATOM 716 CG LEU A 63 2.756 -1.801 -8.391 1.00 0.00 C ATOM 717 CD1 LEU A 63 4.176 -1.294 -8.224 1.00 0.00 C ATOM 718 CD2 LEU A 63 1.759 -0.660 -8.249 1.00 0.00 C ATOM 0 H LEU A 63 1.883 -3.858 -7.903 1.00 0.00 H new ATOM 0 HA LEU A 63 0.477 -2.797 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.496 -3.077 -9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.554 -1.717 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 63 2.549 -2.529 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.277 -0.808 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.871 -2.132 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.402 -0.577 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.884 -0.187 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.933 0.075 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.745 -1.050 -8.335 1.00 0.00 H new ATOM 730 N MET A 64 2.480 -5.243 -10.958 1.00 0.00 N ATOM 731 CA MET A 64 2.781 -6.218 -12.013 1.00 0.00 C ATOM 732 C MET A 64 1.543 -6.976 -12.497 1.00 0.00 C ATOM 733 O MET A 64 1.600 -7.656 -13.516 1.00 0.00 O ATOM 734 CB MET A 64 3.838 -7.223 -11.533 1.00 0.00 C ATOM 735 CG MET A 64 3.687 -7.658 -10.078 1.00 0.00 C ATOM 736 SD MET A 64 4.396 -6.470 -8.924 1.00 0.00 S ATOM 737 CE MET A 64 4.769 -7.564 -7.561 1.00 0.00 C ATOM 0 H MET A 64 3.045 -5.361 -10.117 1.00 0.00 H new ATOM 0 HA MET A 64 3.165 -5.645 -12.857 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.795 -8.107 -12.169 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.826 -6.782 -11.666 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.630 -7.793 -9.851 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.169 -8.626 -9.940 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.340 -7.161 -6.643 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.345 -8.549 -7.758 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.850 -7.650 -7.449 1.00 0.00 H new ATOM 747 N SER A 65 0.443 -6.880 -11.747 1.00 0.00 N ATOM 748 CA SER A 65 -0.841 -7.476 -12.121 1.00 0.00 C ATOM 749 C SER A 65 -0.859 -8.985 -11.898 1.00 0.00 C ATOM 750 O SER A 65 -1.922 -9.601 -11.829 1.00 0.00 O ATOM 751 CB SER A 65 -1.203 -7.121 -13.567 1.00 0.00 C ATOM 752 OG SER A 65 -2.550 -7.442 -13.865 1.00 0.00 O ATOM 0 H SER A 65 0.418 -6.383 -10.857 1.00 0.00 H new ATOM 0 HA SER A 65 -1.602 -7.052 -11.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.038 -6.056 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.542 -7.656 -14.249 1.00 0.00 H new ATOM 0 HG SER A 65 -2.746 -7.201 -14.794 1.00 0.00 H new ATOM 758 N ASP A 66 0.313 -9.570 -11.772 1.00 0.00 N ATOM 759 CA ASP A 66 0.427 -10.978 -11.434 1.00 0.00 C ATOM 760 C ASP A 66 1.247 -11.139 -10.154 1.00 0.00 C ATOM 761 O ASP A 66 2.475 -11.172 -10.168 1.00 0.00 O ATOM 762 CB ASP A 66 1.002 -11.810 -12.602 1.00 0.00 C ATOM 763 CG ASP A 66 2.431 -11.471 -12.993 1.00 0.00 C ATOM 764 OD1 ASP A 66 2.631 -10.513 -13.770 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.359 -12.187 -12.558 1.00 0.00 O ATOM 0 H ASP A 66 1.205 -9.092 -11.899 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.573 -11.370 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.956 -12.865 -12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.362 -11.675 -13.474 1.00 0.00 H new ATOM 770 N PRO A 67 0.558 -11.188 -9.007 1.00 0.00 N ATOM 771 CA PRO A 67 1.205 -11.340 -7.705 1.00 0.00 C ATOM 772 C PRO A 67 1.920 -12.678 -7.562 1.00 0.00 C ATOM 773 O PRO A 67 2.944 -12.775 -6.888 1.00 0.00 O ATOM 774 CB PRO A 67 0.041 -11.253 -6.709 1.00 0.00 C ATOM 775 CG PRO A 67 -1.182 -11.578 -7.499 1.00 0.00 C ATOM 776 CD PRO A 67 -0.908 -11.078 -8.890 1.00 0.00 C ATOM 0 HA PRO A 67 1.975 -10.585 -7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.175 -11.955 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.027 -10.257 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.375 -12.651 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.063 -11.095 -7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.418 -11.680 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.246 -10.050 -9.022 1.00 0.00 H new ATOM 784 N PHE A 68 1.397 -13.696 -8.232 1.00 0.00 N ATOM 785 CA PHE A 68 1.898 -15.050 -8.083 1.00 0.00 C ATOM 786 C PHE A 68 3.147 -15.287 -8.930 1.00 0.00 C ATOM 787 O PHE A 68 3.568 -16.430 -9.126 1.00 0.00 O ATOM 788 CB PHE A 68 0.804 -16.045 -8.472 1.00 0.00 C ATOM 789 CG PHE A 68 -0.519 -15.780 -7.807 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.584 -15.426 -6.469 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.698 -15.867 -8.528 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.797 -15.171 -5.864 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.915 -15.611 -7.930 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.965 -15.262 -6.596 1.00 0.00 C ATOM 0 H PHE A 68 0.621 -13.605 -8.888 1.00 0.00 H new ATOM 0 HA PHE A 68 2.176 -15.195 -7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.669 -16.018 -9.553 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.134 -17.052 -8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.326 -15.349 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.665 -16.139 -9.573 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.834 -14.900 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.826 -15.684 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.916 -15.060 -6.125 1.00 0.00 H new ATOM 804 N GLY A 69 3.742 -14.209 -9.424 1.00 0.00 N ATOM 805 CA GLY A 69 4.939 -14.331 -10.231 1.00 0.00 C ATOM 806 C GLY A 69 6.188 -13.975 -9.454 1.00 0.00 C ATOM 807 O GLY A 69 7.283 -14.436 -9.771 1.00 0.00 O ATOM 0 H GLY A 69 3.417 -13.253 -9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.023 -15.352 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.857 -13.681 -11.102 1.00 0.00 H new ATOM 811 N THR A 70 6.022 -13.158 -8.431 1.00 0.00 N ATOM 812 CA THR A 70 7.136 -12.721 -7.610 1.00 0.00 C ATOM 813 C THR A 70 6.869 -13.060 -6.145 1.00 0.00 C ATOM 814 O THR A 70 5.752 -13.435 -5.781 1.00 0.00 O ATOM 815 CB THR A 70 7.363 -11.199 -7.753 1.00 0.00 C ATOM 816 OG1 THR A 70 8.647 -10.831 -7.226 1.00 0.00 O ATOM 817 CG2 THR A 70 6.286 -10.438 -7.016 1.00 0.00 C ATOM 0 H THR A 70 5.118 -12.781 -8.147 1.00 0.00 H new ATOM 0 HA THR A 70 8.032 -13.241 -7.949 1.00 0.00 H new ATOM 0 HB THR A 70 7.324 -10.948 -8.813 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.777 -9.865 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.458 -9.367 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.311 -10.693 -7.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.311 -10.704 -5.959 1.00 0.00 H new ATOM 825 N ASN A 71 7.888 -12.921 -5.312 1.00 0.00 N ATOM 826 CA ASN A 71 7.749 -13.186 -3.884 1.00 0.00 C ATOM 827 C ASN A 71 8.081 -11.943 -3.073 1.00 0.00 C ATOM 828 O ASN A 71 8.065 -11.973 -1.842 1.00 0.00 O ATOM 829 CB ASN A 71 8.642 -14.349 -3.439 1.00 0.00 C ATOM 830 CG ASN A 71 8.058 -15.714 -3.764 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.355 -15.893 -4.759 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.340 -16.689 -2.914 1.00 0.00 N ATOM 0 H ASN A 71 8.822 -12.626 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 71 6.710 -13.464 -3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.616 -14.255 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.809 -14.279 -2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.971 -17.627 -3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.926 -16.503 -2.100 1.00 0.00 H new ATOM 839 N THR A 72 8.395 -10.858 -3.767 1.00 0.00 N ATOM 840 CA THR A 72 8.663 -9.591 -3.121 1.00 0.00 C ATOM 841 C THR A 72 7.646 -8.550 -3.575 1.00 0.00 C ATOM 842 O THR A 72 7.665 -8.111 -4.725 1.00 0.00 O ATOM 843 CB THR A 72 10.076 -9.091 -3.449 1.00 0.00 C ATOM 844 OG1 THR A 72 11.028 -10.157 -3.302 1.00 0.00 O ATOM 845 CG2 THR A 72 10.452 -7.953 -2.523 1.00 0.00 C ATOM 0 H THR A 72 8.469 -10.835 -4.784 1.00 0.00 H new ATOM 0 HA THR A 72 8.586 -9.741 -2.044 1.00 0.00 H new ATOM 0 HB THR A 72 10.087 -8.739 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.925 -9.826 -3.516 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.457 -7.605 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.744 -7.133 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.426 -8.301 -1.490 1.00 0.00 H new ATOM 853 N TRP A 73 6.751 -8.173 -2.679 1.00 0.00 N ATOM 854 CA TRP A 73 5.682 -7.242 -3.015 1.00 0.00 C ATOM 855 C TRP A 73 5.944 -5.874 -2.394 1.00 0.00 C ATOM 856 O TRP A 73 6.311 -5.786 -1.225 1.00 0.00 O ATOM 857 CB TRP A 73 4.337 -7.805 -2.545 1.00 0.00 C ATOM 858 CG TRP A 73 3.933 -9.064 -3.262 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.603 -9.684 -4.278 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.766 -9.852 -3.022 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.921 -10.806 -4.680 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.794 -10.929 -3.925 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.696 -9.751 -2.134 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.798 -11.895 -3.962 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.709 -10.713 -2.173 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.768 -11.771 -3.081 1.00 0.00 C ATOM 0 H TRP A 73 6.741 -8.496 -1.712 1.00 0.00 H new ATOM 0 HA TRP A 73 5.650 -7.117 -4.097 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.390 -8.006 -1.475 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.565 -7.050 -2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.535 -9.341 -4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.211 -11.443 -5.422 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.641 -8.935 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.839 -12.715 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.124 -10.647 -1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.021 -12.508 -3.085 1.00 0.00 H new ATOM 877 N PHE A 74 5.765 -4.816 -3.183 1.00 0.00 N ATOM 878 CA PHE A 74 6.041 -3.455 -2.723 1.00 0.00 C ATOM 879 C PHE A 74 4.752 -2.645 -2.635 1.00 0.00 C ATOM 880 O PHE A 74 4.001 -2.556 -3.607 1.00 0.00 O ATOM 881 CB PHE A 74 7.011 -2.750 -3.677 1.00 0.00 C ATOM 882 CG PHE A 74 8.159 -3.609 -4.133 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.177 -3.959 -3.260 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.215 -4.068 -5.441 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.228 -4.750 -3.685 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.263 -4.858 -5.869 1.00 0.00 C ATOM 887 CZ PHE A 74 10.271 -5.200 -4.989 1.00 0.00 C ATOM 0 H PHE A 74 5.430 -4.875 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 74 6.492 -3.524 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.458 -2.407 -4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.409 -1.863 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.149 -3.610 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.429 -3.804 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.016 -5.016 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.295 -5.208 -6.890 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.092 -5.819 -5.321 1.00 0.00 H new ATOM 897 N TYR A 75 4.501 -2.064 -1.471 1.00 0.00 N ATOM 898 CA TYR A 75 3.315 -1.237 -1.251 1.00 0.00 C ATOM 899 C TYR A 75 3.688 0.041 -0.512 1.00 0.00 C ATOM 900 O TYR A 75 4.834 0.205 -0.091 1.00 0.00 O ATOM 901 CB TYR A 75 2.278 -1.995 -0.437 1.00 0.00 C ATOM 902 CG TYR A 75 1.886 -3.326 -1.010 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.126 -3.420 -2.167 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.272 -4.486 -0.377 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.763 -4.650 -2.676 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.922 -5.720 -0.872 1.00 0.00 C ATOM 907 CZ TYR A 75 1.164 -5.798 -2.027 1.00 0.00 C ATOM 908 OH TYR A 75 0.799 -7.021 -2.530 1.00 0.00 O ATOM 0 H TYR A 75 5.107 -2.149 -0.655 1.00 0.00 H new ATOM 0 HA TYR A 75 2.896 -0.985 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.666 -2.148 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.385 -1.377 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.815 -2.519 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.861 -4.425 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.169 -4.713 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.236 -6.620 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 75 1.558 -7.638 -2.472 1.00 0.00 H new ATOM 918 N VAL A 76 2.718 0.933 -0.339 1.00 0.00 N ATOM 919 CA VAL A 76 2.964 2.213 0.294 1.00 0.00 C ATOM 920 C VAL A 76 2.137 2.340 1.565 1.00 0.00 C ATOM 921 O VAL A 76 1.182 1.594 1.773 1.00 0.00 O ATOM 922 CB VAL A 76 2.643 3.384 -0.654 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.923 4.092 -1.081 1.00 0.00 C ATOM 924 CG2 VAL A 76 1.869 2.909 -1.877 1.00 0.00 C ATOM 0 H VAL A 76 1.752 0.787 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 76 4.024 2.259 0.544 1.00 0.00 H new ATOM 0 HB VAL A 76 2.015 4.090 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.677 4.916 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.435 4.480 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.574 3.387 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.658 3.759 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.463 2.175 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.931 2.453 -1.560 1.00 0.00 H new ATOM 934 N PHE A 77 2.516 3.282 2.409 1.00 0.00 N ATOM 935 CA PHE A 77 1.867 3.468 3.693 1.00 0.00 C ATOM 936 C PHE A 77 0.845 4.592 3.642 1.00 0.00 C ATOM 937 O PHE A 77 0.585 5.165 2.583 1.00 0.00 O ATOM 938 CB PHE A 77 2.903 3.764 4.776 1.00 0.00 C ATOM 939 CG PHE A 77 2.762 2.872 5.965 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.542 1.525 5.782 1.00 0.00 C ATOM 941 CD2 PHE A 77 2.832 3.373 7.252 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.396 0.679 6.859 1.00 0.00 C ATOM 943 CE2 PHE A 77 2.686 2.534 8.343 1.00 0.00 C ATOM 944 CZ PHE A 77 2.468 1.182 8.145 1.00 0.00 C ATOM 0 H PHE A 77 3.277 3.936 2.225 1.00 0.00 H new ATOM 0 HA PHE A 77 1.346 2.542 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.903 3.650 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.806 4.803 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.483 1.126 4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.002 4.428 7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.226 -0.375 6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.742 2.933 9.345 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.354 0.522 8.992 1.00 0.00 H new ATOM 954 N ARG A 78 0.251 4.886 4.791 1.00 0.00 N ATOM 955 CA ARG A 78 -0.720 5.966 4.893 1.00 0.00 C ATOM 956 C ARG A 78 -0.060 7.311 4.624 1.00 0.00 C ATOM 957 O ARG A 78 0.843 7.717 5.354 1.00 0.00 O ATOM 958 CB ARG A 78 -1.370 5.998 6.277 1.00 0.00 C ATOM 959 CG ARG A 78 -2.445 7.057 6.414 1.00 0.00 C ATOM 960 CD ARG A 78 -2.803 7.316 7.873 1.00 0.00 C ATOM 961 NE ARG A 78 -2.954 6.080 8.646 1.00 0.00 N ATOM 962 CZ ARG A 78 -4.018 5.789 9.398 1.00 0.00 C ATOM 963 NH1 ARG A 78 -5.052 6.623 9.454 1.00 0.00 N ATOM 964 NH2 ARG A 78 -4.038 4.666 10.099 1.00 0.00 N ATOM 0 H ARG A 78 0.425 4.391 5.666 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.489 5.781 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.804 5.021 6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.600 6.174 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.103 7.984 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.336 6.742 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.028 7.933 8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.732 7.885 7.920 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.197 5.398 8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.036 7.492 8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.861 6.394 10.031 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.243 4.028 10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.848 4.439 10.675 1.00 0.00 H new ATOM 978 N GLN A 79 -0.547 7.986 3.587 1.00 0.00 N ATOM 979 CA GLN A 79 -0.093 9.318 3.204 1.00 0.00 C ATOM 980 C GLN A 79 1.378 9.357 2.782 1.00 0.00 C ATOM 981 O GLN A 79 2.280 9.012 3.542 1.00 0.00 O ATOM 982 CB GLN A 79 -0.371 10.284 4.336 1.00 0.00 C ATOM 983 CG GLN A 79 0.086 11.708 4.071 1.00 0.00 C ATOM 984 CD GLN A 79 -0.165 12.638 5.244 1.00 0.00 C ATOM 985 OE1 GLN A 79 -0.046 12.117 6.459 1.00 0.00 O flip ATOM 986 NE2 GLN A 79 -0.436 13.825 5.060 1.00 0.00 N flip ATOM 0 H GLN A 79 -1.279 7.617 2.980 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.654 9.619 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.442 10.290 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.121 9.919 5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.151 11.705 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.431 12.092 3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.519 14.188 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.578 14.445 5.857 1.00 0.00 H new ATOM 995 N GLN A 80 1.602 9.770 1.544 1.00 0.00 N ATOM 996 CA GLN A 80 2.945 9.975 1.031 1.00 0.00 C ATOM 997 C GLN A 80 3.514 11.272 1.611 1.00 0.00 C ATOM 998 O GLN A 80 2.767 12.019 2.241 1.00 0.00 O ATOM 999 CB GLN A 80 2.910 10.003 -0.499 1.00 0.00 C ATOM 1000 CG GLN A 80 2.244 8.794 -1.107 1.00 0.00 C ATOM 1001 CD GLN A 80 2.601 8.609 -2.567 1.00 0.00 C ATOM 1002 OE1 GLN A 80 1.806 9.187 -3.453 1.00 0.00 O flip ATOM 1003 NE2 GLN A 80 3.583 7.944 -2.899 1.00 0.00 N flip ATOM 0 H GLN A 80 0.862 9.971 0.871 1.00 0.00 H new ATOM 0 HA GLN A 80 3.597 9.155 1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.385 10.900 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.930 10.075 -0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.535 7.904 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.163 8.891 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.172 7.514 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.807 7.824 -3.887 1.00 0.00 H new ATOM 1012 N PRO A 81 4.834 11.546 1.432 1.00 0.00 N ATOM 1013 CA PRO A 81 5.518 12.695 2.034 1.00 0.00 C ATOM 1014 C PRO A 81 4.628 13.925 2.148 1.00 0.00 C ATOM 1015 O PRO A 81 4.172 14.484 1.152 1.00 0.00 O ATOM 1016 CB PRO A 81 6.694 12.957 1.090 1.00 0.00 C ATOM 1017 CG PRO A 81 6.763 11.790 0.153 1.00 0.00 C ATOM 1018 CD PRO A 81 5.770 10.765 0.627 1.00 0.00 C ATOM 0 HA PRO A 81 5.822 12.485 3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.549 13.887 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.624 13.059 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.533 12.103 -0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.769 11.370 0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.270 10.275 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.250 9.983 1.215 1.00 0.00 H new ATOM 1026 N GLY A 82 4.383 14.313 3.394 1.00 0.00 N ATOM 1027 CA GLY A 82 3.423 15.350 3.698 1.00 0.00 C ATOM 1028 C GLY A 82 3.881 16.732 3.272 1.00 0.00 C ATOM 1029 O GLY A 82 3.422 17.262 2.264 1.00 0.00 O ATOM 0 H GLY A 82 4.845 13.916 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.479 15.119 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.229 15.353 4.771 1.00 0.00 H new ATOM 1033 N HIS A 83 4.766 17.324 4.054 1.00 0.00 N ATOM 1034 CA HIS A 83 5.329 18.627 3.725 1.00 0.00 C ATOM 1035 C HIS A 83 6.828 18.598 3.962 1.00 0.00 C ATOM 1036 O HIS A 83 7.615 18.698 3.024 1.00 0.00 O ATOM 1037 CB HIS A 83 4.681 19.738 4.557 1.00 0.00 C ATOM 1038 CG HIS A 83 3.202 19.865 4.354 1.00 0.00 C ATOM 1039 ND1 HIS A 83 2.281 19.614 5.349 1.00 0.00 N ATOM 1040 CD2 HIS A 83 2.486 20.217 3.262 1.00 0.00 C ATOM 1041 CE1 HIS A 83 1.063 19.807 4.877 1.00 0.00 C ATOM 1042 NE2 HIS A 83 1.159 20.174 3.613 1.00 0.00 N ATOM 0 H HIS A 83 5.113 16.923 4.925 1.00 0.00 H new ATOM 0 HA HIS A 83 5.127 18.840 2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.878 19.550 5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.155 20.688 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.884 20.483 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.144 19.685 5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.375 20.390 2.997 1.00 0.00 H new ATOM 1051 N GLU A 84 7.220 18.458 5.221 1.00 0.00 N ATOM 1052 CA GLU A 84 8.611 18.225 5.561 1.00 0.00 C ATOM 1053 C GLU A 84 8.754 16.879 6.239 1.00 0.00 C ATOM 1054 O GLU A 84 8.013 16.564 7.173 1.00 0.00 O ATOM 1055 CB GLU A 84 9.153 19.308 6.476 1.00 0.00 C ATOM 1056 CG GLU A 84 9.268 20.661 5.810 1.00 0.00 C ATOM 1057 CD GLU A 84 9.751 21.722 6.770 1.00 0.00 C ATOM 1058 OE1 GLU A 84 8.909 22.347 7.450 1.00 0.00 O ATOM 1059 OE2 GLU A 84 10.980 21.917 6.872 1.00 0.00 O ATOM 0 H GLU A 84 6.591 18.502 6.023 1.00 0.00 H new ATOM 0 HA GLU A 84 9.186 18.242 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.503 19.395 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.135 19.007 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.956 20.594 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.298 20.951 5.407 1.00 0.00 H new ATOM 1066 N GLY A 85 9.702 16.096 5.772 1.00 0.00 N ATOM 1067 CA GLY A 85 9.892 14.770 6.309 1.00 0.00 C ATOM 1068 C GLY A 85 8.978 13.762 5.647 1.00 0.00 C ATOM 1069 O GLY A 85 7.760 13.953 5.590 1.00 0.00 O ATOM 0 H GLY A 85 10.349 16.354 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.930 14.466 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.704 14.782 7.383 1.00 0.00 H new ATOM 1073 N VAL A 86 9.562 12.702 5.120 1.00 0.00 N ATOM 1074 CA VAL A 86 8.787 11.643 4.502 1.00 0.00 C ATOM 1075 C VAL A 86 8.076 10.825 5.557 1.00 0.00 C ATOM 1076 O VAL A 86 8.692 10.310 6.489 1.00 0.00 O ATOM 1077 CB VAL A 86 9.655 10.687 3.683 1.00 0.00 C ATOM 1078 CG1 VAL A 86 8.802 9.603 3.049 1.00 0.00 C ATOM 1079 CG2 VAL A 86 10.471 11.434 2.637 1.00 0.00 C ATOM 0 H VAL A 86 10.571 12.552 5.108 1.00 0.00 H new ATOM 0 HA VAL A 86 8.075 12.134 3.839 1.00 0.00 H new ATOM 0 HB VAL A 86 10.362 10.208 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.437 8.932 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.293 9.037 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.063 10.060 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.076 10.724 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.799 11.958 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.123 12.155 3.131 1.00 0.00 H new ATOM 1089 N THR A 87 6.784 10.697 5.399 1.00 0.00 N ATOM 1090 CA THR A 87 5.991 9.900 6.313 1.00 0.00 C ATOM 1091 C THR A 87 5.622 8.559 5.687 1.00 0.00 C ATOM 1092 O THR A 87 4.941 7.739 6.302 1.00 0.00 O ATOM 1093 CB THR A 87 4.716 10.652 6.772 1.00 0.00 C ATOM 1094 OG1 THR A 87 3.942 9.834 7.659 1.00 0.00 O ATOM 1095 CG2 THR A 87 3.864 11.064 5.580 1.00 0.00 C ATOM 0 H THR A 87 6.253 11.134 4.646 1.00 0.00 H new ATOM 0 HA THR A 87 6.604 9.715 7.195 1.00 0.00 H new ATOM 0 HB THR A 87 5.033 11.551 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.123 8.889 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.976 11.590 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.441 11.722 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.563 10.176 5.023 1.00 0.00 H new ATOM 1103 N GLN A 88 6.083 8.336 4.466 1.00 0.00 N ATOM 1104 CA GLN A 88 5.852 7.085 3.790 1.00 0.00 C ATOM 1105 C GLN A 88 6.694 5.959 4.354 1.00 0.00 C ATOM 1106 O GLN A 88 7.786 6.166 4.888 1.00 0.00 O ATOM 1107 CB GLN A 88 6.139 7.233 2.307 1.00 0.00 C ATOM 1108 CG GLN A 88 4.895 7.467 1.498 1.00 0.00 C ATOM 1109 CD GLN A 88 3.923 6.316 1.611 1.00 0.00 C ATOM 1110 OE1 GLN A 88 4.322 5.173 1.819 1.00 0.00 O ATOM 1111 NE2 GLN A 88 2.644 6.611 1.492 1.00 0.00 N ATOM 0 H GLN A 88 6.621 9.014 3.927 1.00 0.00 H new ATOM 0 HA GLN A 88 4.805 6.827 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.828 8.064 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.639 6.334 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.411 8.384 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.165 7.613 0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.357 7.574 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.941 5.876 1.573 1.00 0.00 H new ATOM 1120 N GLN A 89 6.158 4.771 4.200 1.00 0.00 N ATOM 1121 CA GLN A 89 6.822 3.543 4.567 1.00 0.00 C ATOM 1122 C GLN A 89 6.433 2.469 3.577 1.00 0.00 C ATOM 1123 O GLN A 89 5.251 2.221 3.353 1.00 0.00 O ATOM 1124 CB GLN A 89 6.461 3.114 5.989 1.00 0.00 C ATOM 1125 CG GLN A 89 7.421 3.636 7.040 1.00 0.00 C ATOM 1126 CD GLN A 89 7.018 3.240 8.445 1.00 0.00 C ATOM 1127 OE1 GLN A 89 5.835 3.108 8.751 1.00 0.00 O ATOM 1128 NE2 GLN A 89 7.999 3.019 9.306 1.00 0.00 N ATOM 0 H GLN A 89 5.227 4.629 3.807 1.00 0.00 H new ATOM 0 HA GLN A 89 7.900 3.702 4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.455 3.464 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.439 2.025 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.422 3.257 6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.471 4.723 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.969 3.139 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.785 2.729 10.260 1.00 0.00 H new ATOM 1137 N THR A 90 7.417 1.842 2.982 1.00 0.00 N ATOM 1138 CA THR A 90 7.165 0.864 1.953 1.00 0.00 C ATOM 1139 C THR A 90 7.013 -0.524 2.550 1.00 0.00 C ATOM 1140 O THR A 90 7.849 -0.977 3.341 1.00 0.00 O ATOM 1141 CB THR A 90 8.280 0.870 0.892 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.544 1.193 1.495 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.963 1.852 -0.210 1.00 0.00 C ATOM 0 H THR A 90 8.403 1.992 3.193 1.00 0.00 H new ATOM 0 HA THR A 90 6.229 1.135 1.464 1.00 0.00 H new ATOM 0 HB THR A 90 8.343 -0.128 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.244 1.191 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.764 1.840 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.024 1.572 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.872 2.854 0.210 1.00 0.00 H new ATOM 1151 N LEU A 91 5.927 -1.185 2.185 1.00 0.00 N ATOM 1152 CA LEU A 91 5.674 -2.528 2.654 1.00 0.00 C ATOM 1153 C LEU A 91 6.284 -3.513 1.683 1.00 0.00 C ATOM 1154 O LEU A 91 5.883 -3.585 0.524 1.00 0.00 O ATOM 1155 CB LEU A 91 4.172 -2.798 2.785 1.00 0.00 C ATOM 1156 CG LEU A 91 3.822 -4.097 3.510 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.132 -3.971 4.988 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.367 -4.482 3.321 1.00 0.00 C ATOM 0 H LEU A 91 5.209 -0.809 1.565 1.00 0.00 H new ATOM 0 HA LEU A 91 6.124 -2.642 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.711 -1.965 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.732 -2.823 1.788 1.00 0.00 H new ATOM 0 HG LEU A 91 4.433 -4.887 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.878 -4.903 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.194 -3.764 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.547 -3.156 5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.164 -5.411 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.727 -3.692 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.162 -4.620 2.259 1.00 0.00 H new ATOM 1170 N THR A 92 7.262 -4.250 2.155 1.00 0.00 N ATOM 1171 CA THR A 92 7.943 -5.225 1.337 1.00 0.00 C ATOM 1172 C THR A 92 7.560 -6.615 1.799 1.00 0.00 C ATOM 1173 O THR A 92 8.137 -7.157 2.737 1.00 0.00 O ATOM 1174 CB THR A 92 9.466 -5.059 1.414 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.821 -3.680 1.243 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.134 -5.893 0.351 1.00 0.00 C ATOM 0 H THR A 92 7.607 -4.191 3.113 1.00 0.00 H new ATOM 0 HA THR A 92 7.642 -5.074 0.300 1.00 0.00 H new ATOM 0 HB THR A 92 9.805 -5.395 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.795 -3.584 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.215 -5.767 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.881 -6.943 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.789 -5.573 -0.632 1.00 0.00 H new ATOM 1184 N LEU A 93 6.583 -7.201 1.153 1.00 0.00 N ATOM 1185 CA LEU A 93 6.050 -8.444 1.649 1.00 0.00 C ATOM 1186 C LEU A 93 6.928 -9.603 1.221 1.00 0.00 C ATOM 1187 O LEU A 93 7.220 -9.771 0.036 1.00 0.00 O ATOM 1188 CB LEU A 93 4.615 -8.660 1.195 1.00 0.00 C ATOM 1189 CG LEU A 93 3.797 -9.439 2.191 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.634 -8.619 3.453 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.459 -9.804 1.624 1.00 0.00 C ATOM 0 H LEU A 93 6.148 -6.847 0.301 1.00 0.00 H new ATOM 0 HA LEU A 93 6.044 -8.392 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.144 -7.692 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.616 -9.188 0.241 1.00 0.00 H new ATOM 0 HG LEU A 93 4.318 -10.367 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.042 -9.179 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.615 -8.403 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.127 -7.684 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.891 -10.366 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.915 -8.897 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.596 -10.416 0.732 1.00 0.00 H new ATOM 1203 N THR A 94 7.371 -10.381 2.198 1.00 0.00 N ATOM 1204 CA THR A 94 8.295 -11.444 1.970 1.00 0.00 C ATOM 1205 C THR A 94 7.611 -12.804 2.087 1.00 0.00 C ATOM 1206 O THR A 94 7.028 -13.140 3.129 1.00 0.00 O ATOM 1207 CB THR A 94 9.439 -11.333 2.979 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.209 -10.152 2.712 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.306 -12.559 2.928 1.00 0.00 C ATOM 0 H THR A 94 7.088 -10.279 3.173 1.00 0.00 H new ATOM 0 HA THR A 94 8.688 -11.361 0.957 1.00 0.00 H new ATOM 0 HB THR A 94 9.022 -11.258 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.940 -10.084 3.362 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.115 -12.463 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.707 -13.438 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.726 -12.667 1.928 1.00 0.00 H new ATOM 1217 N PHE A 95 7.688 -13.567 1.003 1.00 0.00 N ATOM 1218 CA PHE A 95 7.089 -14.891 0.930 1.00 0.00 C ATOM 1219 C PHE A 95 8.162 -15.953 0.776 1.00 0.00 C ATOM 1220 O PHE A 95 9.132 -15.762 0.039 1.00 0.00 O ATOM 1221 CB PHE A 95 6.133 -14.981 -0.258 1.00 0.00 C ATOM 1222 CG PHE A 95 4.862 -14.218 -0.077 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.820 -14.777 0.626 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.707 -12.954 -0.611 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.640 -14.099 0.801 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.525 -12.266 -0.443 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.491 -12.844 0.267 1.00 0.00 C ATOM 0 H PHE A 95 8.169 -13.283 0.149 1.00 0.00 H new ATOM 0 HA PHE A 95 6.539 -15.060 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.642 -14.612 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.893 -16.029 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.933 -15.765 1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.517 -12.502 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.832 -14.551 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.408 -11.279 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.564 -12.307 0.402 1.00 0.00 H new ATOM 1237 N ASN A 96 7.981 -17.067 1.468 1.00 0.00 N ATOM 1238 CA ASN A 96 8.885 -18.206 1.342 1.00 0.00 C ATOM 1239 C ASN A 96 8.647 -18.938 0.023 1.00 0.00 C ATOM 1240 O ASN A 96 7.815 -18.514 -0.782 1.00 0.00 O ATOM 1241 CB ASN A 96 8.733 -19.170 2.528 1.00 0.00 C ATOM 1242 CG ASN A 96 7.313 -19.677 2.719 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.540 -19.798 1.770 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.967 -19.982 3.958 1.00 0.00 N ATOM 0 H ASN A 96 7.214 -17.210 2.126 1.00 0.00 H new ATOM 0 HA ASN A 96 9.906 -17.825 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.398 -20.021 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.056 -18.666 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.029 -20.332 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.638 -19.867 4.718 1.00 0.00 H new ATOM 1251 N SER A 97 9.355 -20.037 -0.180 1.00 0.00 N ATOM 1252 CA SER A 97 9.279 -20.790 -1.427 1.00 0.00 C ATOM 1253 C SER A 97 7.839 -21.194 -1.767 1.00 0.00 C ATOM 1254 O SER A 97 7.437 -21.157 -2.933 1.00 0.00 O ATOM 1255 CB SER A 97 10.165 -22.033 -1.330 1.00 0.00 C ATOM 1256 OG SER A 97 10.254 -22.706 -2.572 1.00 0.00 O ATOM 0 H SER A 97 9.995 -20.433 0.508 1.00 0.00 H new ATOM 0 HA SER A 97 9.634 -20.144 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.163 -21.745 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.762 -22.710 -0.576 1.00 0.00 H new ATOM 0 HG SER A 97 10.828 -23.494 -2.476 1.00 0.00 H new ATOM 1262 N SER A 98 7.052 -21.540 -0.749 1.00 0.00 N ATOM 1263 CA SER A 98 5.704 -22.049 -0.963 1.00 0.00 C ATOM 1264 C SER A 98 4.710 -20.902 -1.180 1.00 0.00 C ATOM 1265 O SER A 98 3.511 -21.130 -1.348 1.00 0.00 O ATOM 1266 CB SER A 98 5.288 -22.909 0.238 1.00 0.00 C ATOM 1267 OG SER A 98 4.070 -23.598 0.003 1.00 0.00 O ATOM 0 H SER A 98 7.328 -21.476 0.231 1.00 0.00 H new ATOM 0 HA SER A 98 5.697 -22.663 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.076 -23.630 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.182 -22.275 1.118 1.00 0.00 H new ATOM 0 HG SER A 98 3.505 -23.068 -0.598 1.00 0.00 H new ATOM 1273 N GLY A 99 5.211 -19.672 -1.189 1.00 0.00 N ATOM 1274 CA GLY A 99 4.347 -18.521 -1.379 1.00 0.00 C ATOM 1275 C GLY A 99 3.557 -18.194 -0.128 1.00 0.00 C ATOM 1276 O GLY A 99 2.431 -17.699 -0.199 1.00 0.00 O ATOM 0 H GLY A 99 6.199 -19.451 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.949 -17.658 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.659 -18.715 -2.202 1.00 0.00 H new ATOM 1280 N VAL A 100 4.154 -18.482 1.016 1.00 0.00 N ATOM 1281 CA VAL A 100 3.523 -18.238 2.303 1.00 0.00 C ATOM 1282 C VAL A 100 4.197 -17.056 2.988 1.00 0.00 C ATOM 1283 O VAL A 100 5.418 -16.902 2.899 1.00 0.00 O ATOM 1284 CB VAL A 100 3.629 -19.481 3.212 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.699 -19.359 4.410 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.341 -20.745 2.419 1.00 0.00 C ATOM 0 H VAL A 100 5.087 -18.890 1.080 1.00 0.00 H new ATOM 0 HA VAL A 100 2.469 -18.018 2.132 1.00 0.00 H new ATOM 0 HB VAL A 100 4.649 -19.544 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.792 -20.247 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.968 -18.477 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.670 -19.266 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.420 -21.612 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.334 -20.693 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.062 -20.837 1.607 1.00 0.00 H new ATOM 1296 N LEU A 101 3.404 -16.202 3.630 1.00 0.00 N ATOM 1297 CA LEU A 101 3.933 -15.056 4.340 1.00 0.00 C ATOM 1298 C LEU A 101 4.869 -15.463 5.454 1.00 0.00 C ATOM 1299 O LEU A 101 4.510 -16.244 6.337 1.00 0.00 O ATOM 1300 CB LEU A 101 2.806 -14.218 4.911 1.00 0.00 C ATOM 1301 CG LEU A 101 2.430 -13.025 4.059 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.327 -12.235 4.721 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.641 -12.150 3.817 1.00 0.00 C ATOM 0 H LEU A 101 2.388 -16.289 3.669 1.00 0.00 H new ATOM 0 HA LEU A 101 4.499 -14.468 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.927 -14.850 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.095 -13.867 5.902 1.00 0.00 H new ATOM 0 HG LEU A 101 2.066 -13.383 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.067 -11.380 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.451 -12.871 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.666 -11.883 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.356 -11.296 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.031 -11.797 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.409 -12.727 3.302 1.00 0.00 H new ATOM 1315 N THR A 102 6.066 -14.921 5.398 1.00 0.00 N ATOM 1316 CA THR A 102 7.051 -15.147 6.438 1.00 0.00 C ATOM 1317 C THR A 102 7.322 -13.856 7.187 1.00 0.00 C ATOM 1318 O THR A 102 7.542 -13.857 8.402 1.00 0.00 O ATOM 1319 CB THR A 102 8.367 -15.692 5.859 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.124 -14.636 5.254 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.069 -16.732 4.808 1.00 0.00 C ATOM 0 H THR A 102 6.384 -14.317 4.640 1.00 0.00 H new ATOM 0 HA THR A 102 6.645 -15.892 7.123 1.00 0.00 H new ATOM 0 HB THR A 102 8.943 -16.132 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.959 -14.998 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.004 -17.116 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.505 -17.551 5.256 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.482 -16.282 4.007 1.00 0.00 H new ATOM 1329 N ASN A 103 7.302 -12.748 6.458 1.00 0.00 N ATOM 1330 CA ASN A 103 7.501 -11.443 7.083 1.00 0.00 C ATOM 1331 C ASN A 103 6.740 -10.346 6.360 1.00 0.00 C ATOM 1332 O ASN A 103 6.555 -10.387 5.139 1.00 0.00 O ATOM 1333 CB ASN A 103 8.984 -11.066 7.110 1.00 0.00 C ATOM 1334 CG ASN A 103 9.262 -9.831 7.952 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.590 -9.581 8.955 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.246 -9.043 7.545 1.00 0.00 N ATOM 0 H ASN A 103 7.153 -12.723 5.449 1.00 0.00 H new ATOM 0 HA ASN A 103 7.120 -11.530 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.560 -11.904 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.328 -10.891 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.470 -8.196 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.780 -9.284 6.710 1.00 0.00 H new ATOM 1343 N ILE A 104 6.321 -9.359 7.131 1.00 0.00 N ATOM 1344 CA ILE A 104 5.750 -8.137 6.592 1.00 0.00 C ATOM 1345 C ILE A 104 6.798 -7.044 6.754 1.00 0.00 C ATOM 1346 O ILE A 104 6.874 -6.406 7.804 1.00 0.00 O ATOM 1347 CB ILE A 104 4.474 -7.684 7.350 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.598 -8.873 7.786 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.673 -6.700 6.503 1.00 0.00 C ATOM 1350 CD1 ILE A 104 2.983 -9.674 6.658 1.00 0.00 C ATOM 0 H ILE A 104 6.367 -9.382 8.150 1.00 0.00 H new ATOM 0 HA ILE A 104 5.472 -8.318 5.554 1.00 0.00 H new ATOM 0 HB ILE A 104 4.799 -7.182 8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.203 -9.543 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.796 -8.498 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.781 -6.392 7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.285 -5.825 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.379 -7.179 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.386 -10.487 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.346 -9.026 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.774 -10.087 6.032 1.00 0.00 H new ATOM 1362 N ASP A 105 7.611 -6.827 5.735 1.00 0.00 N ATOM 1363 CA ASP A 105 8.747 -5.925 5.873 1.00 0.00 C ATOM 1364 C ASP A 105 8.307 -4.481 5.709 1.00 0.00 C ATOM 1365 O ASP A 105 8.149 -3.989 4.598 1.00 0.00 O ATOM 1366 CB ASP A 105 9.837 -6.265 4.858 1.00 0.00 C ATOM 1367 CG ASP A 105 11.141 -5.552 5.133 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.915 -6.049 5.978 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.407 -4.512 4.502 1.00 0.00 O ATOM 0 H ASP A 105 7.511 -7.255 4.814 1.00 0.00 H new ATOM 0 HA ASP A 105 9.158 -6.051 6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.009 -7.341 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.490 -6.004 3.858 1.00 0.00 H new ATOM 1374 N ASN A 106 8.085 -3.817 6.824 1.00 0.00 N ATOM 1375 CA ASN A 106 7.683 -2.427 6.815 1.00 0.00 C ATOM 1376 C ASN A 106 8.853 -1.550 7.226 1.00 0.00 C ATOM 1377 O ASN A 106 9.311 -1.587 8.367 1.00 0.00 O ATOM 1378 CB ASN A 106 6.473 -2.206 7.727 1.00 0.00 C ATOM 1379 CG ASN A 106 6.263 -0.745 8.090 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.750 -0.271 9.115 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.543 -0.022 7.248 1.00 0.00 N ATOM 0 H ASN A 106 8.177 -4.222 7.755 1.00 0.00 H new ATOM 0 HA ASN A 106 7.384 -2.150 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.578 -2.584 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.602 -2.787 8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.375 0.966 7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.156 -0.452 6.408 1.00 0.00 H new ATOM 1388 N LYS A 107 9.352 -0.802 6.269 1.00 0.00 N ATOM 1389 CA LYS A 107 10.471 0.099 6.480 1.00 0.00 C ATOM 1390 C LYS A 107 10.170 1.430 5.789 1.00 0.00 C ATOM 1391 O LYS A 107 9.160 1.540 5.100 1.00 0.00 O ATOM 1392 CB LYS A 107 11.738 -0.536 5.906 1.00 0.00 C ATOM 1393 CG LYS A 107 11.706 -0.653 4.402 1.00 0.00 C ATOM 1394 CD LYS A 107 12.992 -1.241 3.851 1.00 0.00 C ATOM 1395 CE LYS A 107 14.121 -0.228 3.863 1.00 0.00 C ATOM 1396 NZ LYS A 107 13.863 0.897 2.924 1.00 0.00 N ATOM 0 H LYS A 107 8.993 -0.799 5.314 1.00 0.00 H new ATOM 0 HA LYS A 107 10.623 0.280 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.602 0.059 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.870 -1.527 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.864 -1.279 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.541 0.332 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.277 -2.111 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.826 -1.589 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.248 0.163 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.055 -0.721 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.759 1.375 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.439 0.528 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.210 1.575 3.366 1.00 0.00 H new ATOM 1410 N PRO A 108 11.026 2.453 5.940 1.00 0.00 N ATOM 1411 CA PRO A 108 10.794 3.748 5.318 1.00 0.00 C ATOM 1412 C PRO A 108 11.188 3.733 3.850 1.00 0.00 C ATOM 1413 O PRO A 108 12.009 2.914 3.423 1.00 0.00 O ATOM 1414 CB PRO A 108 11.679 4.702 6.119 1.00 0.00 C ATOM 1415 CG PRO A 108 12.726 3.863 6.772 1.00 0.00 C ATOM 1416 CD PRO A 108 12.281 2.426 6.701 1.00 0.00 C ATOM 0 HA PRO A 108 9.743 4.038 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.132 5.450 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.093 5.241 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.685 3.990 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 108 12.867 4.168 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 108 13.029 1.805 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 108 12.129 2.010 7.697 1.00 0.00 H new ATOM 1424 N ALA A 109 10.592 4.629 3.078 1.00 0.00 N ATOM 1425 CA ALA A 109 10.809 4.648 1.644 1.00 0.00 C ATOM 1426 C ALA A 109 12.156 5.234 1.271 1.00 0.00 C ATOM 1427 O ALA A 109 12.878 5.778 2.108 1.00 0.00 O ATOM 1428 CB ALA A 109 9.705 5.393 0.936 1.00 0.00 C ATOM 0 H ALA A 109 9.957 5.349 3.421 1.00 0.00 H new ATOM 0 HA ALA A 109 10.800 3.608 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.895 5.391 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.751 4.906 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.671 6.421 1.296 1.00 0.00 H new ATOM 1434 N LEU A 110 12.462 5.127 -0.004 1.00 0.00 N ATOM 1435 CA LEU A 110 13.743 5.546 -0.543 1.00 0.00 C ATOM 1436 C LEU A 110 13.719 7.030 -0.874 1.00 0.00 C ATOM 1437 O LEU A 110 14.546 7.802 -0.395 1.00 0.00 O ATOM 1438 CB LEU A 110 14.024 4.729 -1.799 1.00 0.00 C ATOM 1439 CG LEU A 110 13.495 3.294 -1.734 1.00 0.00 C ATOM 1440 CD1 LEU A 110 13.610 2.625 -3.088 1.00 0.00 C ATOM 1441 CD2 LEU A 110 14.271 2.490 -0.708 1.00 0.00 C ATOM 0 H LEU A 110 11.826 4.744 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 110 14.528 5.380 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.577 5.233 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 110 15.100 4.702 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 110 12.446 3.333 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.229 1.606 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.028 3.184 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.656 2.603 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 110 13.883 1.472 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.325 2.467 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.164 2.952 0.273 1.00 0.00 H new ATOM 1453 N SER A 111 12.753 7.419 -1.690 1.00 0.00 N ATOM 1454 CA SER A 111 12.581 8.802 -2.067 1.00 0.00 C ATOM 1455 C SER A 111 11.093 9.145 -2.072 1.00 0.00 C ATOM 1456 O SER A 111 10.285 8.420 -1.490 1.00 0.00 O ATOM 1457 CB SER A 111 13.214 9.061 -3.441 1.00 0.00 C ATOM 1458 OG SER A 111 13.224 10.443 -3.758 1.00 0.00 O ATOM 0 H SER A 111 12.071 6.784 -2.105 1.00 0.00 H new ATOM 0 HA SER A 111 13.084 9.443 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.234 8.677 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.661 8.515 -4.206 1.00 0.00 H new ATOM 0 HG SER A 111 12.700 10.596 -4.572 1.00 0.00 H new ATOM 1464 N GLY A 112 10.738 10.240 -2.723 1.00 0.00 N ATOM 1465 CA GLY A 112 9.368 10.694 -2.722 1.00 0.00 C ATOM 1466 C GLY A 112 9.285 12.162 -2.438 1.00 0.00 C ATOM 1467 O GLY A 112 8.310 12.835 -2.772 1.00 0.00 O ATOM 0 H GLY A 112 11.381 10.826 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.911 10.481 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.800 10.143 -1.972 1.00 0.00 H new ATOM 1471 N ASN A 113 10.326 12.636 -1.810 1.00 0.00 N ATOM 1472 CA ASN A 113 10.475 14.045 -1.497 1.00 0.00 C ATOM 1473 C ASN A 113 11.948 14.420 -1.515 1.00 0.00 C ATOM 1474 O ASN A 113 12.627 14.226 -0.488 1.00 0.00 O ATOM 1475 CB ASN A 113 9.870 14.374 -0.131 1.00 0.00 C ATOM 1476 CG ASN A 113 9.848 15.868 0.133 1.00 0.00 C ATOM 1477 OD1 ASN A 113 9.577 16.652 -0.902 1.00 0.00 O flip ATOM 1478 ND2 ASN A 113 10.048 16.314 1.264 1.00 0.00 N flip ATOM 1479 OXT ASN A 113 12.426 14.888 -2.564 1.00 0.00 O ATOM 0 H ASN A 113 11.105 12.057 -1.495 1.00 0.00 H new ATOM 0 HA ASN A 113 9.941 14.623 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.855 13.981 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.444 13.876 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.254 15.678 2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.008 17.320 1.430 1.00 0.00 H new TER 1486 ASN A 113