USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=28 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 39 THR OG1 : rot -72:sc= 0.952 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.225 K(o=0.73,f=-3.3!) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.754 X(o=0.034,f=0.17) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.72! X(o=0.034!,f=0.17) USER MOD Set 3.1: A 33 ASN : amide:sc= 1.11 K(o=2.4,f=-0.084) USER MOD Set 3.2: A 79 GLN : amide:sc= 1.27 K(o=2.4,f=-4.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.027) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.14 (180deg=-0.756) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0027 K(o=-0.0027,f=-0.79) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0612 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0.95 (180deg=0.508) USER MOD Single : A 50 MET CE :methyl -125:sc= -6.95! (180deg=-11.8!) USER MOD Single : A 51 THR OG1 : rot -127:sc= -3.51! USER MOD Single : A 52 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.2!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0773 F(o=-2,f=-0.077) USER MOD Single : A 54 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-2.4!) 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 -160:sc= -2.36 (180deg=-2.66!) USER MOD Single : A 65 SER OG : rot -46:sc= 0.272 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00913 F(o=-1.3!,f=-0.0091) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 127:sc= 0.514! USER MOD Single : A 80 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 83 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=-0.1) USER MOD Single : A 87 THR OG1 : rot -38:sc= 0.576 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0124 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= -2.16! C(o=-2.2!,f=-9.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -34:sc= 0.0633 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 103 ASN : amide:sc= -0.0998 K(o=-0.1,f=-1.3) USER MOD Single : A 106 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.6) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.0588 K(o=0.059,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 1.573 39.778 0.987 1.00 0.00 N ATOM 2 CA GLY A 17 0.456 38.822 1.177 1.00 0.00 C ATOM 3 C GLY A 17 -0.356 39.137 2.413 1.00 0.00 C ATOM 4 O GLY A 17 0.131 39.796 3.331 1.00 0.00 O ATOM 0 HA2 GLY A 17 -0.193 38.844 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.854 37.810 1.253 1.00 0.00 H new ATOM 10 N SER A 18 -1.589 38.664 2.448 1.00 0.00 N ATOM 11 CA SER A 18 -2.472 38.925 3.568 1.00 0.00 C ATOM 12 C SER A 18 -2.326 37.832 4.626 1.00 0.00 C ATOM 13 O SER A 18 -2.985 36.794 4.560 1.00 0.00 O ATOM 14 CB SER A 18 -3.917 39.008 3.074 1.00 0.00 C ATOM 15 OG SER A 18 -4.023 39.895 1.968 1.00 0.00 O ATOM 0 H SER A 18 -2.002 38.095 1.709 1.00 0.00 H new ATOM 0 HA SER A 18 -2.200 39.877 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.265 38.016 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.563 39.349 3.883 1.00 0.00 H new ATOM 0 HG SER A 18 -4.955 39.932 1.667 1.00 0.00 H new ATOM 21 N HIS A 19 -1.431 38.055 5.581 1.00 0.00 N ATOM 22 CA HIS A 19 -1.247 37.120 6.685 1.00 0.00 C ATOM 23 C HIS A 19 -2.387 37.262 7.687 1.00 0.00 C ATOM 24 O HIS A 19 -3.093 38.274 7.683 1.00 0.00 O ATOM 25 CB HIS A 19 0.114 37.332 7.373 1.00 0.00 C ATOM 26 CG HIS A 19 0.329 38.705 7.948 1.00 0.00 C ATOM 27 ND1 HIS A 19 1.204 39.622 7.403 1.00 0.00 N ATOM 28 CD2 HIS A 19 -0.203 39.306 9.040 1.00 0.00 C ATOM 29 CE1 HIS A 19 1.197 40.722 8.133 1.00 0.00 C ATOM 30 NE2 HIS A 19 0.351 40.557 9.130 1.00 0.00 N ATOM 0 H HIS A 19 -0.823 38.873 5.614 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.259 36.107 6.282 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.218 36.599 8.173 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.905 37.129 6.651 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.930 38.878 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.785 41.608 7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.142 41.248 9.851 1.00 0.00 H new ATOM 39 N MET A 20 -2.552 36.253 8.544 1.00 0.00 N ATOM 40 CA MET A 20 -3.647 36.217 9.516 1.00 0.00 C ATOM 41 C MET A 20 -5.001 36.247 8.812 1.00 0.00 C ATOM 42 O MET A 20 -5.089 36.000 7.606 1.00 0.00 O ATOM 43 CB MET A 20 -3.542 37.391 10.496 1.00 0.00 C ATOM 44 CG MET A 20 -2.337 37.322 11.416 1.00 0.00 C ATOM 45 SD MET A 20 -2.171 38.798 12.436 1.00 0.00 S ATOM 46 CE MET A 20 -3.745 38.801 13.290 1.00 0.00 C ATOM 0 H MET A 20 -1.935 35.442 8.584 1.00 0.00 H new ATOM 0 HA MET A 20 -3.565 35.285 10.075 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.501 38.321 9.929 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.447 37.427 11.102 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.423 36.446 12.059 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.434 37.192 10.819 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.691 39.469 14.149 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.526 39.144 12.612 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.977 37.791 13.629 1.00 0.00 H new ATOM 56 N SER A 21 -6.050 36.533 9.579 1.00 0.00 N ATOM 57 CA SER A 21 -7.403 36.666 9.046 1.00 0.00 C ATOM 58 C SER A 21 -7.856 35.398 8.320 1.00 0.00 C ATOM 59 O SER A 21 -8.302 35.447 7.172 1.00 0.00 O ATOM 60 CB SER A 21 -7.479 37.871 8.109 1.00 0.00 C ATOM 61 OG SER A 21 -7.051 39.053 8.770 1.00 0.00 O ATOM 0 H SER A 21 -5.986 36.679 10.586 1.00 0.00 H new ATOM 0 HA SER A 21 -8.079 36.819 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.857 37.694 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.502 37.998 7.755 1.00 0.00 H new ATOM 0 HG SER A 21 -7.106 39.812 8.152 1.00 0.00 H new ATOM 67 N THR A 22 -7.739 34.263 8.991 1.00 0.00 N ATOM 68 CA THR A 22 -8.209 33.006 8.434 1.00 0.00 C ATOM 69 C THR A 22 -9.710 32.870 8.681 1.00 0.00 C ATOM 70 O THR A 22 -10.163 32.158 9.581 1.00 0.00 O ATOM 71 CB THR A 22 -7.439 31.805 9.026 1.00 0.00 C ATOM 72 OG1 THR A 22 -6.026 32.013 8.859 1.00 0.00 O ATOM 73 CG2 THR A 22 -7.840 30.502 8.345 1.00 0.00 C ATOM 0 H THR A 22 -7.324 34.187 9.920 1.00 0.00 H new ATOM 0 HA THR A 22 -8.023 33.008 7.360 1.00 0.00 H new ATOM 0 HB THR A 22 -7.686 31.730 10.085 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.537 31.252 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.281 29.675 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.908 30.332 8.484 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.618 30.565 7.280 1.00 0.00 H new ATOM 81 N LEU A 23 -10.475 33.585 7.868 1.00 0.00 N ATOM 82 CA LEU A 23 -11.919 33.679 8.033 1.00 0.00 C ATOM 83 C LEU A 23 -12.633 32.583 7.250 1.00 0.00 C ATOM 84 O LEU A 23 -13.493 32.863 6.415 1.00 0.00 O ATOM 85 CB LEU A 23 -12.394 35.053 7.562 1.00 0.00 C ATOM 86 CG LEU A 23 -11.710 36.240 8.240 1.00 0.00 C ATOM 87 CD1 LEU A 23 -12.057 37.530 7.523 1.00 0.00 C ATOM 88 CD2 LEU A 23 -12.111 36.325 9.704 1.00 0.00 C ATOM 0 H LEU A 23 -10.113 34.116 7.076 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.159 33.548 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.234 35.127 6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.468 35.127 7.731 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.632 36.091 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.562 38.366 8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.722 37.472 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.136 37.681 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.614 37.176 10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.191 36.451 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -11.816 35.409 10.216 1.00 0.00 H new ATOM 100 N GLU A 24 -12.271 31.337 7.513 1.00 0.00 N ATOM 101 CA GLU A 24 -12.888 30.212 6.826 1.00 0.00 C ATOM 102 C GLU A 24 -12.904 28.958 7.702 1.00 0.00 C ATOM 103 O GLU A 24 -13.953 28.590 8.228 1.00 0.00 O ATOM 104 CB GLU A 24 -12.184 29.948 5.486 1.00 0.00 C ATOM 105 CG GLU A 24 -10.667 29.900 5.570 1.00 0.00 C ATOM 106 CD GLU A 24 -10.026 29.636 4.225 1.00 0.00 C ATOM 107 OE1 GLU A 24 -10.173 28.511 3.701 1.00 0.00 O ATOM 108 OE2 GLU A 24 -9.374 30.550 3.682 1.00 0.00 O ATOM 0 H GLU A 24 -11.557 31.079 8.194 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.926 30.472 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.543 29.002 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.472 30.726 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.297 30.845 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.369 29.121 6.272 1.00 0.00 H new ATOM 115 N ARG A 25 -11.747 28.317 7.863 1.00 0.00 N ATOM 116 CA ARG A 25 -11.642 27.073 8.622 1.00 0.00 C ATOM 117 C ARG A 25 -12.592 26.018 8.059 1.00 0.00 C ATOM 118 O ARG A 25 -13.332 25.358 8.791 1.00 0.00 O ATOM 119 CB ARG A 25 -11.910 27.312 10.112 1.00 0.00 C ATOM 120 CG ARG A 25 -10.785 28.052 10.817 1.00 0.00 C ATOM 121 CD ARG A 25 -11.060 28.197 12.303 1.00 0.00 C ATOM 122 NE ARG A 25 -11.362 26.913 12.929 1.00 0.00 N ATOM 123 CZ ARG A 25 -10.824 26.487 14.069 1.00 0.00 C ATOM 124 NH1 ARG A 25 -9.916 27.221 14.701 1.00 0.00 N ATOM 125 NH2 ARG A 25 -11.200 25.318 14.568 1.00 0.00 N ATOM 0 H ARG A 25 -10.862 28.643 7.474 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.622 26.701 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.833 27.881 10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -12.068 26.352 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.847 27.516 10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.661 29.039 10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.193 28.644 12.791 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.897 28.879 12.452 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.031 26.301 12.461 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.626 28.119 14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.508 26.887 15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.895 24.755 14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.794 24.982 15.441 1.00 0.00 H new ATOM 139 N VAL A 26 -12.559 25.880 6.745 1.00 0.00 N ATOM 140 CA VAL A 26 -13.381 24.920 6.036 1.00 0.00 C ATOM 141 C VAL A 26 -12.661 24.501 4.753 1.00 0.00 C ATOM 142 O VAL A 26 -12.878 25.046 3.667 1.00 0.00 O ATOM 143 CB VAL A 26 -14.801 25.482 5.743 1.00 0.00 C ATOM 144 CG1 VAL A 26 -14.743 26.825 5.028 1.00 0.00 C ATOM 145 CG2 VAL A 26 -15.628 24.480 4.951 1.00 0.00 C ATOM 0 H VAL A 26 -11.956 26.435 6.138 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.527 24.042 6.666 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.289 25.647 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.756 27.182 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.212 27.546 5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.219 26.710 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.617 24.896 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.133 24.268 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.727 23.557 5.523 1.00 0.00 H new ATOM 155 N VAL A 27 -11.768 23.542 4.901 1.00 0.00 N ATOM 156 CA VAL A 27 -10.901 23.135 3.817 1.00 0.00 C ATOM 157 C VAL A 27 -11.278 21.726 3.348 1.00 0.00 C ATOM 158 O VAL A 27 -12.262 21.160 3.829 1.00 0.00 O ATOM 159 CB VAL A 27 -9.412 23.205 4.261 1.00 0.00 C ATOM 160 CG1 VAL A 27 -9.015 21.975 5.064 1.00 0.00 C ATOM 161 CG2 VAL A 27 -8.473 23.417 3.078 1.00 0.00 C ATOM 0 H VAL A 27 -11.625 23.027 5.770 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.030 23.818 2.978 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.314 24.075 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.969 22.055 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.639 21.905 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.153 21.082 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.444 23.460 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.580 22.590 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.723 24.353 2.578 1.00 0.00 H new ATOM 171 N TYR A 28 -10.524 21.186 2.401 1.00 0.00 N ATOM 172 CA TYR A 28 -10.721 19.824 1.929 1.00 0.00 C ATOM 173 C TYR A 28 -10.839 18.841 3.090 1.00 0.00 C ATOM 174 O TYR A 28 -10.024 18.852 4.015 1.00 0.00 O ATOM 175 CB TYR A 28 -9.538 19.392 1.063 1.00 0.00 C ATOM 176 CG TYR A 28 -9.358 20.181 -0.215 1.00 0.00 C ATOM 177 CD1 TYR A 28 -10.074 19.854 -1.358 1.00 0.00 C ATOM 178 CD2 TYR A 28 -8.456 21.234 -0.284 1.00 0.00 C ATOM 179 CE1 TYR A 28 -9.900 20.558 -2.533 1.00 0.00 C ATOM 180 CE2 TYR A 28 -8.272 21.940 -1.456 1.00 0.00 C ATOM 181 CZ TYR A 28 -8.997 21.598 -2.578 1.00 0.00 C ATOM 182 OH TYR A 28 -8.810 22.294 -3.752 1.00 0.00 O ATOM 0 H TYR A 28 -9.760 21.679 1.939 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.646 19.814 1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.626 19.474 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.659 18.339 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.778 19.036 -1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.889 21.505 0.594 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.469 20.295 -3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.565 22.755 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.140 22.996 -3.613 1.00 0.00 H new ATOM 192 N ARG A 29 -11.868 18.015 3.047 1.00 0.00 N ATOM 193 CA ARG A 29 -11.938 16.853 3.909 1.00 0.00 C ATOM 194 C ARG A 29 -10.836 15.902 3.476 1.00 0.00 C ATOM 195 O ARG A 29 -10.607 15.743 2.278 1.00 0.00 O ATOM 196 CB ARG A 29 -13.318 16.197 3.790 1.00 0.00 C ATOM 197 CG ARG A 29 -14.436 17.084 4.310 1.00 0.00 C ATOM 198 CD ARG A 29 -15.804 16.632 3.825 1.00 0.00 C ATOM 199 NE ARG A 29 -16.172 15.300 4.306 1.00 0.00 N ATOM 200 CZ ARG A 29 -17.393 14.982 4.746 1.00 0.00 C ATOM 201 NH1 ARG A 29 -18.326 15.921 4.862 1.00 0.00 N ATOM 202 NH2 ARG A 29 -17.675 13.729 5.077 1.00 0.00 N ATOM 0 H ARG A 29 -12.667 18.129 2.423 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.800 17.128 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.510 15.952 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.318 15.258 4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.421 17.083 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.261 18.111 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.555 17.351 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.816 16.634 2.735 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.456 14.573 4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.111 16.887 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.257 15.676 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.959 13.007 4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.607 13.488 5.413 1.00 0.00 H new ATOM 216 N PRO A 30 -10.126 15.295 4.444 1.00 0.00 N ATOM 217 CA PRO A 30 -8.950 14.460 4.187 1.00 0.00 C ATOM 218 C PRO A 30 -9.109 13.558 2.968 1.00 0.00 C ATOM 219 O PRO A 30 -10.046 12.762 2.883 1.00 0.00 O ATOM 220 CB PRO A 30 -8.850 13.626 5.457 1.00 0.00 C ATOM 221 CG PRO A 30 -9.395 14.497 6.528 1.00 0.00 C ATOM 222 CD PRO A 30 -10.404 15.402 5.882 1.00 0.00 C ATOM 0 HA PRO A 30 -8.066 15.058 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.422 12.702 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.818 13.343 5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.859 13.900 7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.600 15.077 6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.422 15.090 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.298 16.429 6.232 1.00 0.00 H new ATOM 230 N ASP A 31 -8.167 13.684 2.041 1.00 0.00 N ATOM 231 CA ASP A 31 -8.248 13.026 0.752 1.00 0.00 C ATOM 232 C ASP A 31 -6.855 12.802 0.212 1.00 0.00 C ATOM 233 O ASP A 31 -6.204 13.723 -0.282 1.00 0.00 O ATOM 234 CB ASP A 31 -9.031 13.877 -0.235 1.00 0.00 C ATOM 235 CG ASP A 31 -9.282 13.167 -1.550 1.00 0.00 C ATOM 236 OD1 ASP A 31 -10.137 12.254 -1.580 1.00 0.00 O ATOM 237 OD2 ASP A 31 -8.654 13.540 -2.566 1.00 0.00 O ATOM 0 H ASP A 31 -7.326 14.247 2.167 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.759 12.072 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.986 14.156 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.485 14.801 -0.424 1.00 0.00 H new ATOM 242 N ILE A 32 -6.400 11.589 0.351 1.00 0.00 N ATOM 243 CA ILE A 32 -5.092 11.194 -0.134 1.00 0.00 C ATOM 244 C ILE A 32 -5.050 11.198 -1.662 1.00 0.00 C ATOM 245 O ILE A 32 -6.013 10.805 -2.325 1.00 0.00 O ATOM 246 CB ILE A 32 -4.705 9.798 0.381 1.00 0.00 C ATOM 247 CG1 ILE A 32 -4.768 9.772 1.906 1.00 0.00 C ATOM 248 CG2 ILE A 32 -3.315 9.431 -0.102 1.00 0.00 C ATOM 249 CD1 ILE A 32 -3.767 10.694 2.556 1.00 0.00 C ATOM 0 H ILE A 32 -6.921 10.838 0.804 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.375 11.922 0.246 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.410 9.064 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.772 10.051 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.594 8.754 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.051 8.441 0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.298 9.427 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.596 10.161 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.863 10.629 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.759 10.401 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.955 11.719 2.236 1.00 0.00 H new ATOM 261 N ASN A 33 -3.923 11.647 -2.208 1.00 0.00 N ATOM 262 CA ASN A 33 -3.736 11.715 -3.655 1.00 0.00 C ATOM 263 C ASN A 33 -3.421 10.332 -4.206 1.00 0.00 C ATOM 264 O ASN A 33 -3.573 10.065 -5.400 1.00 0.00 O ATOM 265 CB ASN A 33 -2.593 12.681 -4.000 1.00 0.00 C ATOM 266 CG ASN A 33 -1.248 11.984 -4.186 1.00 0.00 C ATOM 267 OD1 ASN A 33 -0.903 11.549 -5.287 1.00 0.00 O ATOM 268 ND2 ASN A 33 -0.476 11.885 -3.118 1.00 0.00 N ATOM 0 H ASN A 33 -3.121 11.971 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.658 12.081 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.845 13.219 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.503 13.424 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.438 11.437 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.794 12.256 -2.223 1.00 0.00 H new ATOM 275 N GLN A 34 -2.969 9.462 -3.321 1.00 0.00 N ATOM 276 CA GLN A 34 -2.548 8.135 -3.697 1.00 0.00 C ATOM 277 C GLN A 34 -3.356 7.096 -2.941 1.00 0.00 C ATOM 278 O GLN A 34 -4.206 7.435 -2.121 1.00 0.00 O ATOM 279 CB GLN A 34 -1.053 7.967 -3.422 1.00 0.00 C ATOM 280 CG GLN A 34 -0.671 8.077 -1.959 1.00 0.00 C ATOM 281 CD GLN A 34 0.817 8.232 -1.776 1.00 0.00 C ATOM 282 OE1 GLN A 34 1.492 8.874 -2.578 1.00 0.00 O ATOM 283 NE2 GLN A 34 1.340 7.602 -0.749 1.00 0.00 N ATOM 0 H GLN A 34 -2.886 9.660 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.722 7.992 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.734 6.994 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.505 8.721 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.182 8.930 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.011 7.188 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.739 7.082 -0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.347 7.633 -0.591 1.00 0.00 H new ATOM 292 N GLY A 35 -3.094 5.836 -3.219 1.00 0.00 N ATOM 293 CA GLY A 35 -3.819 4.784 -2.557 1.00 0.00 C ATOM 294 C GLY A 35 -4.356 3.765 -3.536 1.00 0.00 C ATOM 295 O GLY A 35 -4.992 2.789 -3.140 1.00 0.00 O ATOM 0 H GLY A 35 -2.393 5.523 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.165 4.288 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.645 5.214 -1.991 1.00 0.00 H new ATOM 299 N ASN A 36 -4.097 4.002 -4.821 1.00 0.00 N ATOM 300 CA ASN A 36 -4.499 3.075 -5.875 1.00 0.00 C ATOM 301 C ASN A 36 -3.794 1.738 -5.686 1.00 0.00 C ATOM 302 O ASN A 36 -4.274 0.695 -6.128 1.00 0.00 O ATOM 303 CB ASN A 36 -4.162 3.649 -7.254 1.00 0.00 C ATOM 304 CG ASN A 36 -4.771 2.852 -8.381 1.00 0.00 C ATOM 305 OD1 ASN A 36 -5.854 2.280 -8.248 1.00 0.00 O ATOM 306 ND2 ASN A 36 -4.077 2.806 -9.501 1.00 0.00 N ATOM 0 H ASN A 36 -3.608 4.832 -5.157 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.577 2.926 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.515 4.679 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.079 3.676 -7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.433 2.282 -10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.184 3.295 -9.568 1.00 0.00 H new ATOM 313 N TYR A 37 -2.639 1.785 -5.031 1.00 0.00 N ATOM 314 CA TYR A 37 -1.931 0.578 -4.645 1.00 0.00 C ATOM 315 C TYR A 37 -2.358 0.124 -3.245 1.00 0.00 C ATOM 316 O TYR A 37 -3.428 -0.458 -3.077 1.00 0.00 O ATOM 317 CB TYR A 37 -0.404 0.762 -4.728 1.00 0.00 C ATOM 318 CG TYR A 37 0.101 2.184 -4.529 1.00 0.00 C ATOM 319 CD1 TYR A 37 -0.290 2.953 -3.437 1.00 0.00 C ATOM 320 CD2 TYR A 37 0.991 2.746 -5.436 1.00 0.00 C ATOM 321 CE1 TYR A 37 0.186 4.235 -3.257 1.00 0.00 C ATOM 322 CE2 TYR A 37 1.476 4.027 -5.261 1.00 0.00 C ATOM 323 CZ TYR A 37 1.071 4.767 -4.171 1.00 0.00 C ATOM 324 OH TYR A 37 1.553 6.039 -3.991 1.00 0.00 O ATOM 0 H TYR A 37 -2.175 2.651 -4.757 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.200 -0.204 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.062 0.122 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.066 0.409 -5.702 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.979 2.538 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.309 2.171 -6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.132 4.818 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.169 4.447 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 37 2.166 6.263 -4.722 1.00 0.00 H new ATOM 334 N LEU A 38 -1.534 0.402 -2.244 1.00 0.00 N ATOM 335 CA LEU A 38 -1.873 0.084 -0.868 1.00 0.00 C ATOM 336 C LEU A 38 -1.415 1.205 0.055 1.00 0.00 C ATOM 337 O LEU A 38 -0.536 1.987 -0.307 1.00 0.00 O ATOM 338 CB LEU A 38 -1.201 -1.217 -0.458 1.00 0.00 C ATOM 339 CG LEU A 38 -1.695 -1.813 0.844 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.870 -2.724 0.565 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.584 -2.557 1.561 1.00 0.00 C ATOM 0 H LEU A 38 -0.624 0.848 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.954 -0.026 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.346 -1.949 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.128 -1.044 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.020 -1.007 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.227 -3.154 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.672 -2.151 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.559 -3.524 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.967 -2.974 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.217 -3.363 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.232 -1.869 1.781 1.00 0.00 H new ATOM 353 N THR A 39 -2.039 1.301 1.224 1.00 0.00 N ATOM 354 CA THR A 39 -1.631 2.254 2.244 1.00 0.00 C ATOM 355 C THR A 39 -1.417 1.558 3.598 1.00 0.00 C ATOM 356 O THR A 39 -1.512 0.334 3.689 1.00 0.00 O ATOM 357 CB THR A 39 -2.661 3.385 2.394 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.897 2.865 2.887 1.00 0.00 O ATOM 359 CG2 THR A 39 -2.900 4.063 1.061 1.00 0.00 C ATOM 0 H THR A 39 -2.837 0.723 1.488 1.00 0.00 H new ATOM 0 HA THR A 39 -0.685 2.688 1.921 1.00 0.00 H new ATOM 0 HB THR A 39 -2.266 4.114 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.341 2.351 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.632 4.861 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.964 4.483 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.277 3.333 0.344 1.00 0.00 H new ATOM 367 N ALA A 40 -1.161 2.339 4.650 1.00 0.00 N ATOM 368 CA ALA A 40 -0.810 1.781 5.966 1.00 0.00 C ATOM 369 C ALA A 40 -1.981 1.046 6.605 1.00 0.00 C ATOM 370 O ALA A 40 -1.837 -0.071 7.107 1.00 0.00 O ATOM 371 CB ALA A 40 -0.327 2.884 6.893 1.00 0.00 C ATOM 0 H ALA A 40 -1.189 3.358 4.620 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.009 1.058 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.071 2.458 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.553 3.362 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.117 3.625 7.019 1.00 0.00 H new ATOM 377 N ASN A 41 -3.134 1.688 6.586 1.00 0.00 N ATOM 378 CA ASN A 41 -4.364 1.109 7.112 1.00 0.00 C ATOM 379 C ASN A 41 -4.717 -0.182 6.385 1.00 0.00 C ATOM 380 O ASN A 41 -5.278 -1.102 6.973 1.00 0.00 O ATOM 381 CB ASN A 41 -5.495 2.122 6.991 1.00 0.00 C ATOM 382 CG ASN A 41 -5.321 3.009 5.777 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.609 4.012 5.835 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.960 2.664 4.678 1.00 0.00 N ATOM 0 H ASN A 41 -3.248 2.627 6.206 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.214 0.863 8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.448 1.598 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.531 2.737 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.874 3.235 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.541 1.826 4.668 1.00 0.00 H new ATOM 391 N ASP A 42 -4.360 -0.252 5.113 1.00 0.00 N ATOM 392 CA ASP A 42 -4.583 -1.462 4.332 1.00 0.00 C ATOM 393 C ASP A 42 -3.617 -2.556 4.765 1.00 0.00 C ATOM 394 O ASP A 42 -3.967 -3.731 4.772 1.00 0.00 O ATOM 395 CB ASP A 42 -4.424 -1.203 2.840 1.00 0.00 C ATOM 396 CG ASP A 42 -5.360 -0.142 2.310 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.585 -0.257 2.525 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.873 0.807 1.657 1.00 0.00 O ATOM 0 H ASP A 42 -3.917 0.510 4.599 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.608 -1.786 4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.396 -0.903 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.596 -2.132 2.297 1.00 0.00 H new ATOM 403 N VAL A 43 -2.400 -2.166 5.128 1.00 0.00 N ATOM 404 CA VAL A 43 -1.419 -3.105 5.671 1.00 0.00 C ATOM 405 C VAL A 43 -1.972 -3.797 6.912 1.00 0.00 C ATOM 406 O VAL A 43 -1.736 -4.982 7.139 1.00 0.00 O ATOM 407 CB VAL A 43 -0.094 -2.398 6.044 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.815 -3.332 6.816 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.623 -1.920 4.810 1.00 0.00 C ATOM 0 H VAL A 43 -2.067 -1.205 5.057 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.217 -3.840 4.892 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.344 -1.541 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.740 -2.814 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.317 -3.650 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.043 -4.205 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.551 -1.426 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.848 -2.771 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.011 -1.216 4.271 1.00 0.00 H new ATOM 419 N SER A 44 -2.726 -3.045 7.697 1.00 0.00 N ATOM 420 CA SER A 44 -3.333 -3.551 8.919 1.00 0.00 C ATOM 421 C SER A 44 -4.307 -4.698 8.630 1.00 0.00 C ATOM 422 O SER A 44 -4.668 -5.463 9.522 1.00 0.00 O ATOM 423 CB SER A 44 -4.048 -2.409 9.629 1.00 0.00 C ATOM 424 OG SER A 44 -4.514 -2.794 10.911 1.00 0.00 O ATOM 0 H SER A 44 -2.935 -2.065 7.505 1.00 0.00 H new ATOM 0 HA SER A 44 -2.547 -3.949 9.561 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.370 -1.562 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.889 -2.074 9.022 1.00 0.00 H new ATOM 0 HG SER A 44 -4.966 -2.035 11.336 1.00 0.00 H new ATOM 430 N LYS A 45 -4.726 -4.809 7.376 1.00 0.00 N ATOM 431 CA LYS A 45 -5.667 -5.840 6.970 1.00 0.00 C ATOM 432 C LYS A 45 -5.004 -7.215 6.888 1.00 0.00 C ATOM 433 O LYS A 45 -5.665 -8.238 7.082 1.00 0.00 O ATOM 434 CB LYS A 45 -6.285 -5.475 5.628 1.00 0.00 C ATOM 435 CG LYS A 45 -7.034 -4.152 5.653 1.00 0.00 C ATOM 436 CD LYS A 45 -7.554 -3.789 4.277 1.00 0.00 C ATOM 437 CE LYS A 45 -8.563 -4.815 3.811 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.900 -4.665 2.370 1.00 0.00 N ATOM 0 H LYS A 45 -4.426 -4.193 6.620 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.447 -5.897 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.499 -5.426 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.969 -6.267 5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.866 -4.216 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.373 -3.364 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.015 -2.802 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.726 -3.736 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.167 -5.815 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.472 -4.723 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.852 -5.045 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.876 -3.658 2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.208 -5.187 1.795 1.00 0.00 H new ATOM 452 N ILE A 46 -3.705 -7.251 6.600 1.00 0.00 N ATOM 453 CA ILE A 46 -3.018 -8.514 6.447 1.00 0.00 C ATOM 454 C ILE A 46 -2.280 -8.946 7.697 1.00 0.00 C ATOM 455 O ILE A 46 -2.211 -8.230 8.697 1.00 0.00 O ATOM 456 CB ILE A 46 -2.019 -8.521 5.282 1.00 0.00 C ATOM 457 CG1 ILE A 46 -0.923 -7.464 5.451 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.752 -8.345 3.972 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.214 -7.652 4.473 1.00 0.00 C ATOM 0 H ILE A 46 -3.120 -6.426 6.471 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.821 -9.221 6.239 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.517 -9.489 5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.355 -6.472 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.534 -7.507 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.036 -8.351 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.462 -9.161 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.287 -7.396 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.964 -6.878 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.666 -8.632 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.167 -7.582 3.454 1.00 0.00 H new ATOM 471 N ARG A 47 -1.713 -10.134 7.594 1.00 0.00 N ATOM 472 CA ARG A 47 -1.033 -10.788 8.696 1.00 0.00 C ATOM 473 C ARG A 47 -0.243 -11.971 8.173 1.00 0.00 C ATOM 474 O ARG A 47 -0.611 -12.580 7.166 1.00 0.00 O ATOM 475 CB ARG A 47 -2.041 -11.264 9.749 1.00 0.00 C ATOM 476 CG ARG A 47 -3.089 -12.233 9.213 1.00 0.00 C ATOM 477 CD ARG A 47 -4.267 -11.507 8.574 1.00 0.00 C ATOM 478 NE ARG A 47 -5.271 -12.432 8.055 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.535 -12.094 7.797 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.954 -10.845 7.987 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.378 -13.008 7.333 1.00 0.00 N ATOM 0 H ARG A 47 -1.712 -10.678 6.731 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.357 -10.072 9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.500 -11.745 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.547 -10.396 10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.629 -12.894 8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.450 -12.863 10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.728 -10.849 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.905 -10.874 7.763 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.988 -13.396 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.306 -10.137 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.923 -10.596 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.058 -13.964 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.346 -12.755 7.134 1.00 0.00 H new ATOM 495 N VAL A 48 0.843 -12.283 8.854 1.00 0.00 N ATOM 496 CA VAL A 48 1.715 -13.361 8.448 1.00 0.00 C ATOM 497 C VAL A 48 1.033 -14.699 8.676 1.00 0.00 C ATOM 498 O VAL A 48 0.264 -14.859 9.627 1.00 0.00 O ATOM 499 CB VAL A 48 3.030 -13.324 9.232 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.174 -13.835 8.378 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.310 -11.919 9.716 1.00 0.00 C ATOM 0 H VAL A 48 1.142 -11.797 9.700 1.00 0.00 H new ATOM 0 HA VAL A 48 1.933 -13.237 7.387 1.00 0.00 H new ATOM 0 HB VAL A 48 2.937 -13.977 10.100 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.100 -13.801 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.972 -14.863 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.274 -13.209 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.247 -11.906 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.386 -11.248 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.499 -11.589 10.365 1.00 0.00 H new ATOM 511 N GLY A 49 1.301 -15.648 7.804 1.00 0.00 N ATOM 512 CA GLY A 49 0.688 -16.950 7.931 1.00 0.00 C ATOM 513 C GLY A 49 -0.144 -17.309 6.721 1.00 0.00 C ATOM 514 O GLY A 49 -0.205 -18.471 6.328 1.00 0.00 O ATOM 0 H GLY A 49 1.932 -15.544 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.463 -17.703 8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.059 -16.968 8.821 1.00 0.00 H new ATOM 518 N MET A 50 -0.793 -16.316 6.126 1.00 0.00 N ATOM 519 CA MET A 50 -1.589 -16.565 4.933 1.00 0.00 C ATOM 520 C MET A 50 -0.733 -16.517 3.679 1.00 0.00 C ATOM 521 O MET A 50 0.409 -16.051 3.704 1.00 0.00 O ATOM 522 CB MET A 50 -2.785 -15.609 4.805 1.00 0.00 C ATOM 523 CG MET A 50 -2.502 -14.153 5.119 1.00 0.00 C ATOM 524 SD MET A 50 -3.902 -13.095 4.680 1.00 0.00 S ATOM 525 CE MET A 50 -3.153 -11.473 4.727 1.00 0.00 C ATOM 0 H MET A 50 -0.785 -15.347 6.444 1.00 0.00 H new ATOM 0 HA MET A 50 -1.994 -17.571 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.170 -15.673 3.787 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.577 -15.957 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.282 -14.045 6.181 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.615 -13.828 4.575 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.719 -10.830 5.401 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.126 -11.557 5.082 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.157 -11.041 3.726 1.00 0.00 H new ATOM 535 N THR A 51 -1.297 -17.014 2.590 1.00 0.00 N ATOM 536 CA THR A 51 -0.569 -17.167 1.345 1.00 0.00 C ATOM 537 C THR A 51 -0.528 -15.881 0.536 1.00 0.00 C ATOM 538 O THR A 51 -0.964 -14.817 0.992 1.00 0.00 O ATOM 539 CB THR A 51 -1.211 -18.256 0.469 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.402 -17.756 -0.151 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.587 -19.450 1.304 1.00 0.00 C ATOM 0 H THR A 51 -2.269 -17.321 2.546 1.00 0.00 H new ATOM 0 HA THR A 51 0.448 -17.445 1.622 1.00 0.00 H new ATOM 0 HB THR A 51 -0.483 -18.545 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.148 -18.364 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.040 -20.211 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.694 -19.858 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.300 -19.147 2.071 1.00 0.00 H new ATOM 549 N GLN A 52 -0.018 -15.997 -0.678 1.00 0.00 N ATOM 550 CA GLN A 52 0.021 -14.893 -1.605 1.00 0.00 C ATOM 551 C GLN A 52 -1.378 -14.521 -2.056 1.00 0.00 C ATOM 552 O GLN A 52 -1.715 -13.343 -2.135 1.00 0.00 O ATOM 553 CB GLN A 52 0.866 -15.249 -2.820 1.00 0.00 C ATOM 554 CG GLN A 52 2.356 -15.307 -2.534 1.00 0.00 C ATOM 555 CD GLN A 52 3.177 -15.591 -3.773 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.731 -16.282 -4.688 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.383 -15.053 -3.810 1.00 0.00 N ATOM 0 H GLN A 52 0.380 -16.862 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 52 0.467 -14.040 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.542 -16.215 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.684 -14.515 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.676 -14.360 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.549 -16.080 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.713 -14.486 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.984 -15.204 -4.620 1.00 0.00 H new ATOM 566 N GLN A 53 -2.204 -15.525 -2.329 1.00 0.00 N ATOM 567 CA GLN A 53 -3.537 -15.260 -2.853 1.00 0.00 C ATOM 568 C GLN A 53 -4.363 -14.558 -1.800 1.00 0.00 C ATOM 569 O GLN A 53 -5.236 -13.753 -2.109 1.00 0.00 O ATOM 570 CB GLN A 53 -4.235 -16.544 -3.309 1.00 0.00 C ATOM 571 CG GLN A 53 -4.537 -17.540 -2.203 1.00 0.00 C ATOM 572 CD GLN A 53 -6.015 -17.622 -1.853 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.740 -16.521 -2.000 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.502 -18.674 -1.442 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.980 -16.512 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.436 -14.618 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.170 -16.276 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.610 -17.033 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.188 -18.527 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.975 -17.263 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.915 -19.502 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.492 -18.718 -1.202 1.00 0.00 H new ATOM 583 N GLN A 54 -4.077 -14.892 -0.558 1.00 0.00 N ATOM 584 CA GLN A 54 -4.717 -14.254 0.579 1.00 0.00 C ATOM 585 C GLN A 54 -4.400 -12.772 0.602 1.00 0.00 C ATOM 586 O GLN A 54 -5.296 -11.930 0.585 1.00 0.00 O ATOM 587 CB GLN A 54 -4.225 -14.879 1.868 1.00 0.00 C ATOM 588 CG GLN A 54 -4.355 -16.373 1.875 1.00 0.00 C ATOM 589 CD GLN A 54 -5.731 -16.856 2.273 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.746 -16.224 1.974 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.762 -17.962 2.992 1.00 0.00 N ATOM 0 H GLN A 54 -3.398 -15.610 -0.307 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.794 -14.393 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.180 -14.609 2.022 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.788 -14.466 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.117 -16.755 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.619 -16.791 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.895 -18.450 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.653 -18.329 3.326 1.00 0.00 H new ATOM 600 N VAL A 55 -3.112 -12.466 0.621 1.00 0.00 N ATOM 601 CA VAL A 55 -2.656 -11.091 0.688 1.00 0.00 C ATOM 602 C VAL A 55 -3.035 -10.314 -0.565 1.00 0.00 C ATOM 603 O VAL A 55 -3.450 -9.168 -0.479 1.00 0.00 O ATOM 604 CB VAL A 55 -1.137 -11.014 0.903 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.665 -9.575 0.839 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.770 -11.625 2.233 1.00 0.00 C ATOM 0 H VAL A 55 -2.362 -13.157 0.591 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.155 -10.636 1.544 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.644 -11.575 0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.413 -9.539 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.906 -9.156 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.162 -8.994 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.309 -11.565 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.272 -11.082 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.081 -12.669 2.252 1.00 0.00 H new ATOM 616 N ALA A 56 -2.917 -10.939 -1.723 1.00 0.00 N ATOM 617 CA ALA A 56 -3.298 -10.285 -2.971 1.00 0.00 C ATOM 618 C ALA A 56 -4.759 -9.875 -2.926 1.00 0.00 C ATOM 619 O ALA A 56 -5.146 -8.846 -3.468 1.00 0.00 O ATOM 620 CB ALA A 56 -3.053 -11.200 -4.159 1.00 0.00 C ATOM 0 H ALA A 56 -2.564 -11.890 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.681 -9.394 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.345 -10.690 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.995 -11.458 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.643 -12.109 -4.046 1.00 0.00 H new ATOM 626 N TYR A 57 -5.562 -10.698 -2.283 1.00 0.00 N ATOM 627 CA TYR A 57 -6.982 -10.447 -2.171 1.00 0.00 C ATOM 628 C TYR A 57 -7.305 -9.460 -1.047 1.00 0.00 C ATOM 629 O TYR A 57 -8.246 -8.670 -1.154 1.00 0.00 O ATOM 630 CB TYR A 57 -7.706 -11.766 -1.973 1.00 0.00 C ATOM 631 CG TYR A 57 -8.002 -12.465 -3.284 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.124 -12.364 -4.366 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.168 -13.198 -3.456 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.402 -12.977 -5.567 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.453 -13.813 -4.662 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.568 -13.700 -5.713 1.00 0.00 C ATOM 637 OH TYR A 57 -8.855 -14.306 -6.917 1.00 0.00 O ATOM 0 H TYR A 57 -5.250 -11.555 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.326 -9.981 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.100 -12.419 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.640 -11.588 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.212 -11.796 -4.259 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.864 -13.290 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.710 -12.892 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.365 -14.379 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.713 -14.775 -6.851 1.00 0.00 H new ATOM 647 N ALA A 58 -6.537 -9.536 0.038 1.00 0.00 N ATOM 648 CA ALA A 58 -6.706 -8.646 1.183 1.00 0.00 C ATOM 649 C ALA A 58 -6.169 -7.255 0.888 1.00 0.00 C ATOM 650 O ALA A 58 -6.795 -6.243 1.202 1.00 0.00 O ATOM 651 CB ALA A 58 -5.983 -9.211 2.394 1.00 0.00 C ATOM 0 H ALA A 58 -5.783 -10.214 0.147 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.774 -8.571 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.115 -8.540 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.394 -10.191 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.921 -9.309 2.171 1.00 0.00 H new ATOM 657 N LEU A 59 -4.989 -7.235 0.298 1.00 0.00 N ATOM 658 CA LEU A 59 -4.253 -6.016 0.043 1.00 0.00 C ATOM 659 C LEU A 59 -4.587 -5.445 -1.325 1.00 0.00 C ATOM 660 O LEU A 59 -4.999 -4.290 -1.451 1.00 0.00 O ATOM 661 CB LEU A 59 -2.755 -6.324 0.147 1.00 0.00 C ATOM 662 CG LEU A 59 -2.011 -5.566 1.228 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.882 -5.427 2.456 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.730 -6.281 1.571 1.00 0.00 C ATOM 0 H LEU A 59 -4.510 -8.077 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.533 -5.265 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.632 -7.392 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.288 -6.105 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.766 -4.570 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.339 -4.881 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.791 -4.883 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.145 -6.417 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.202 -5.729 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.958 -7.285 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.101 -6.347 0.683 1.00 0.00 H new ATOM 676 N GLY A 60 -4.431 -6.269 -2.339 1.00 0.00 N ATOM 677 CA GLY A 60 -4.663 -5.838 -3.697 1.00 0.00 C ATOM 678 C GLY A 60 -3.567 -6.328 -4.612 1.00 0.00 C ATOM 679 O GLY A 60 -2.384 -6.183 -4.298 1.00 0.00 O ATOM 0 H GLY A 60 -4.144 -7.243 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.626 -6.214 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.714 -4.750 -3.734 1.00 0.00 H new ATOM 683 N THR A 61 -3.942 -6.939 -5.723 1.00 0.00 N ATOM 684 CA THR A 61 -2.964 -7.437 -6.665 1.00 0.00 C ATOM 685 C THR A 61 -2.178 -6.285 -7.286 1.00 0.00 C ATOM 686 O THR A 61 -2.746 -5.309 -7.778 1.00 0.00 O ATOM 687 CB THR A 61 -3.611 -8.312 -7.751 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.684 -7.612 -8.397 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.134 -9.603 -7.137 1.00 0.00 C ATOM 0 H THR A 61 -4.913 -7.100 -5.991 1.00 0.00 H new ATOM 0 HA THR A 61 -2.269 -8.070 -6.113 1.00 0.00 H new ATOM 0 HB THR A 61 -2.852 -8.548 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.081 -8.185 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.591 -10.216 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.308 -10.150 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.878 -9.369 -6.376 1.00 0.00 H new ATOM 697 N PRO A 62 -0.847 -6.397 -7.244 1.00 0.00 N ATOM 698 CA PRO A 62 0.067 -5.320 -7.620 1.00 0.00 C ATOM 699 C PRO A 62 0.043 -5.014 -9.113 1.00 0.00 C ATOM 700 O PRO A 62 -0.405 -5.820 -9.926 1.00 0.00 O ATOM 701 CB PRO A 62 1.445 -5.849 -7.203 1.00 0.00 C ATOM 702 CG PRO A 62 1.175 -7.042 -6.346 1.00 0.00 C ATOM 703 CD PRO A 62 -0.128 -7.598 -6.823 1.00 0.00 C ATOM 0 HA PRO A 62 -0.207 -4.381 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.041 -6.119 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.006 -5.092 -6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.972 -7.779 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.120 -6.763 -5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.007 -8.300 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.656 -8.131 -6.032 1.00 0.00 H new ATOM 711 N LEU A 63 0.578 -3.836 -9.440 1.00 0.00 N ATOM 712 CA LEU A 63 0.516 -3.242 -10.780 1.00 0.00 C ATOM 713 C LEU A 63 1.126 -4.148 -11.832 1.00 0.00 C ATOM 714 O LEU A 63 0.791 -4.058 -13.014 1.00 0.00 O ATOM 715 CB LEU A 63 1.278 -1.925 -10.771 1.00 0.00 C ATOM 716 CG LEU A 63 1.058 -1.068 -9.531 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.364 -0.408 -9.133 1.00 0.00 C ATOM 718 CD2 LEU A 63 -0.025 -0.031 -9.782 1.00 0.00 C ATOM 0 H LEU A 63 1.078 -3.255 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.534 -3.090 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.343 -2.137 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.989 -1.348 -11.650 1.00 0.00 H new ATOM 0 HG LEU A 63 0.722 -1.703 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.206 0.205 -8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.108 -1.175 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.718 0.221 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.167 0.571 -8.885 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.274 0.614 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.959 -0.534 -10.033 1.00 0.00 H new ATOM 730 N MET A 64 2.048 -5.000 -11.394 1.00 0.00 N ATOM 731 CA MET A 64 2.675 -5.986 -12.274 1.00 0.00 C ATOM 732 C MET A 64 1.670 -7.040 -12.743 1.00 0.00 C ATOM 733 O MET A 64 2.011 -7.929 -13.522 1.00 0.00 O ATOM 734 CB MET A 64 3.875 -6.637 -11.579 1.00 0.00 C ATOM 735 CG MET A 64 3.607 -7.106 -10.155 1.00 0.00 C ATOM 736 SD MET A 64 5.128 -7.506 -9.276 1.00 0.00 S ATOM 737 CE MET A 64 4.473 -8.007 -7.692 1.00 0.00 C ATOM 0 H MET A 64 2.380 -5.029 -10.430 1.00 0.00 H new ATOM 0 HA MET A 64 3.033 -5.465 -13.162 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.203 -7.490 -12.173 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.699 -5.924 -11.563 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.069 -6.328 -9.613 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.961 -7.983 -10.178 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.257 -7.944 -6.938 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.649 -7.349 -7.415 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.112 -9.034 -7.756 1.00 0.00 H new ATOM 747 N SER A 65 0.438 -6.934 -12.241 1.00 0.00 N ATOM 748 CA SER A 65 -0.704 -7.711 -12.728 1.00 0.00 C ATOM 749 C SER A 65 -0.627 -9.185 -12.320 1.00 0.00 C ATOM 750 O SER A 65 -1.480 -9.990 -12.698 1.00 0.00 O ATOM 751 CB SER A 65 -0.836 -7.569 -14.252 1.00 0.00 C ATOM 752 OG SER A 65 -2.100 -8.024 -14.712 1.00 0.00 O ATOM 0 H SER A 65 0.203 -6.300 -11.477 1.00 0.00 H new ATOM 0 HA SER A 65 -1.598 -7.303 -12.256 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.700 -6.525 -14.534 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.044 -8.137 -14.741 1.00 0.00 H new ATOM 0 HG SER A 65 -2.311 -8.883 -14.291 1.00 0.00 H new ATOM 758 N ASP A 66 0.377 -9.527 -11.532 1.00 0.00 N ATOM 759 CA ASP A 66 0.505 -10.872 -10.996 1.00 0.00 C ATOM 760 C ASP A 66 1.386 -10.872 -9.769 1.00 0.00 C ATOM 761 O ASP A 66 2.596 -10.666 -9.845 1.00 0.00 O ATOM 762 CB ASP A 66 1.044 -11.850 -12.030 1.00 0.00 C ATOM 763 CG ASP A 66 1.364 -13.203 -11.426 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.522 -13.738 -10.677 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.452 -13.747 -11.712 1.00 0.00 O ATOM 0 H ASP A 66 1.120 -8.888 -11.247 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.495 -11.205 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.311 -11.974 -12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.943 -11.435 -12.486 1.00 0.00 H new ATOM 770 N PRO A 67 0.763 -11.058 -8.614 1.00 0.00 N ATOM 771 CA PRO A 67 1.465 -11.148 -7.339 1.00 0.00 C ATOM 772 C PRO A 67 2.223 -12.469 -7.179 1.00 0.00 C ATOM 773 O PRO A 67 3.273 -12.521 -6.539 1.00 0.00 O ATOM 774 CB PRO A 67 0.329 -11.054 -6.315 1.00 0.00 C ATOM 775 CG PRO A 67 -0.878 -11.578 -7.030 1.00 0.00 C ATOM 776 CD PRO A 67 -0.700 -11.172 -8.469 1.00 0.00 C ATOM 0 HA PRO A 67 2.226 -10.375 -7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.549 -11.645 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.178 -10.026 -5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.952 -12.661 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.794 -11.158 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.115 -11.915 -9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.200 -10.228 -8.685 1.00 0.00 H new ATOM 784 N PHE A 68 1.705 -13.522 -7.803 1.00 0.00 N ATOM 785 CA PHE A 68 2.200 -14.874 -7.590 1.00 0.00 C ATOM 786 C PHE A 68 3.520 -15.119 -8.317 1.00 0.00 C ATOM 787 O PHE A 68 4.124 -16.183 -8.173 1.00 0.00 O ATOM 788 CB PHE A 68 1.159 -15.881 -8.076 1.00 0.00 C ATOM 789 CG PHE A 68 -0.234 -15.594 -7.594 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.479 -15.336 -6.257 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.298 -15.576 -8.481 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.758 -15.067 -5.812 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.580 -15.308 -8.041 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.810 -15.054 -6.705 1.00 0.00 C ATOM 0 H PHE A 68 0.934 -13.461 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 68 2.378 -14.998 -6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.161 -15.894 -9.166 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.450 -16.878 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.340 -15.345 -5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.123 -15.774 -9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.935 -14.867 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.401 -15.297 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.811 -14.845 -6.358 1.00 0.00 H new ATOM 804 N GLY A 69 3.973 -14.137 -9.081 1.00 0.00 N ATOM 805 CA GLY A 69 5.156 -14.329 -9.894 1.00 0.00 C ATOM 806 C GLY A 69 6.426 -13.981 -9.158 1.00 0.00 C ATOM 807 O GLY A 69 7.516 -14.387 -9.559 1.00 0.00 O ATOM 0 H GLY A 69 3.545 -13.214 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.203 -15.367 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.080 -13.715 -10.791 1.00 0.00 H new ATOM 811 N THR A 70 6.285 -13.238 -8.077 1.00 0.00 N ATOM 812 CA THR A 70 7.431 -12.781 -7.318 1.00 0.00 C ATOM 813 C THR A 70 7.314 -13.209 -5.852 1.00 0.00 C ATOM 814 O THR A 70 6.295 -13.763 -5.431 1.00 0.00 O ATOM 815 CB THR A 70 7.552 -11.244 -7.406 1.00 0.00 C ATOM 816 OG1 THR A 70 8.840 -10.825 -6.941 1.00 0.00 O ATOM 817 CG2 THR A 70 6.469 -10.575 -6.584 1.00 0.00 C ATOM 0 H THR A 70 5.384 -12.938 -7.704 1.00 0.00 H new ATOM 0 HA THR A 70 8.326 -13.235 -7.744 1.00 0.00 H new ATOM 0 HB THR A 70 7.432 -10.949 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.908 -9.849 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.572 -9.492 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.490 -10.874 -6.960 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.565 -10.877 -5.541 1.00 0.00 H new ATOM 825 N ASN A 71 8.359 -12.951 -5.077 1.00 0.00 N ATOM 826 CA ASN A 71 8.365 -13.287 -3.656 1.00 0.00 C ATOM 827 C ASN A 71 8.519 -12.034 -2.812 1.00 0.00 C ATOM 828 O ASN A 71 8.624 -12.108 -1.587 1.00 0.00 O ATOM 829 CB ASN A 71 9.494 -14.267 -3.315 1.00 0.00 C ATOM 830 CG ASN A 71 9.306 -15.647 -3.916 1.00 0.00 C ATOM 831 OD1 ASN A 71 8.063 -16.047 -4.130 1.00 0.00 O flip ATOM 832 ND2 ASN A 71 10.279 -16.355 -4.180 1.00 0.00 N flip ATOM 0 H ASN A 71 9.217 -12.509 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 71 7.410 -13.764 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.440 -13.854 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.568 -14.359 -2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.223 -16.012 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.141 -17.284 -4.578 1.00 0.00 H new ATOM 839 N THR A 72 8.545 -10.885 -3.469 1.00 0.00 N ATOM 840 CA THR A 72 8.713 -9.623 -2.786 1.00 0.00 C ATOM 841 C THR A 72 7.710 -8.594 -3.302 1.00 0.00 C ATOM 842 O THR A 72 7.773 -8.175 -4.459 1.00 0.00 O ATOM 843 CB THR A 72 10.136 -9.096 -2.994 1.00 0.00 C ATOM 844 OG1 THR A 72 11.088 -10.126 -2.692 1.00 0.00 O ATOM 845 CG2 THR A 72 10.390 -7.903 -2.108 1.00 0.00 C ATOM 0 H THR A 72 8.451 -10.806 -4.482 1.00 0.00 H new ATOM 0 HA THR A 72 8.538 -9.785 -1.722 1.00 0.00 H new ATOM 0 HB THR A 72 10.244 -8.794 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.996 -9.783 -2.829 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.405 -7.541 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.680 -7.112 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.268 -8.192 -1.064 1.00 0.00 H new ATOM 853 N TRP A 73 6.778 -8.204 -2.447 1.00 0.00 N ATOM 854 CA TRP A 73 5.728 -7.267 -2.830 1.00 0.00 C ATOM 855 C TRP A 73 5.991 -5.895 -2.221 1.00 0.00 C ATOM 856 O TRP A 73 6.356 -5.800 -1.052 1.00 0.00 O ATOM 857 CB TRP A 73 4.363 -7.792 -2.376 1.00 0.00 C ATOM 858 CG TRP A 73 3.966 -9.088 -3.026 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.663 -9.780 -3.972 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.778 -9.845 -2.782 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.983 -10.919 -4.323 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.825 -10.979 -3.606 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.678 -9.673 -1.944 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.820 -11.935 -3.614 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.680 -10.622 -1.955 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.756 -11.740 -2.785 1.00 0.00 C ATOM 0 H TRP A 73 6.725 -8.522 -1.479 1.00 0.00 H new ATOM 0 HA TRP A 73 5.727 -7.171 -3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.378 -7.928 -1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.604 -7.040 -2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.613 -9.476 -4.385 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.293 -11.608 -5.008 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.609 -8.811 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.879 -12.803 -4.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.177 -10.498 -1.309 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.044 -12.465 -2.771 1.00 0.00 H new ATOM 877 N PHE A 74 5.815 -4.840 -3.011 1.00 0.00 N ATOM 878 CA PHE A 74 6.068 -3.483 -2.529 1.00 0.00 C ATOM 879 C PHE A 74 4.773 -2.689 -2.452 1.00 0.00 C ATOM 880 O PHE A 74 4.014 -2.621 -3.419 1.00 0.00 O ATOM 881 CB PHE A 74 7.052 -2.744 -3.442 1.00 0.00 C ATOM 882 CG PHE A 74 8.242 -3.565 -3.852 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.190 -3.959 -2.923 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.404 -3.948 -5.174 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.279 -4.721 -3.307 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.490 -4.707 -5.562 1.00 0.00 C ATOM 887 CZ PHE A 74 10.428 -5.094 -4.626 1.00 0.00 C ATOM 0 H PHE A 74 5.501 -4.895 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 74 6.503 -3.570 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.524 -2.416 -4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.401 -1.847 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.078 -3.669 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.672 -3.649 -5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.012 -5.024 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.605 -4.997 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.278 -5.689 -4.927 1.00 0.00 H new ATOM 897 N TYR A 75 4.520 -2.107 -1.292 1.00 0.00 N ATOM 898 CA TYR A 75 3.369 -1.237 -1.091 1.00 0.00 C ATOM 899 C TYR A 75 3.824 0.035 -0.398 1.00 0.00 C ATOM 900 O TYR A 75 4.976 0.133 0.008 1.00 0.00 O ATOM 901 CB TYR A 75 2.316 -1.927 -0.231 1.00 0.00 C ATOM 902 CG TYR A 75 1.881 -3.269 -0.745 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.077 -3.388 -1.868 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.267 -4.415 -0.085 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.669 -4.625 -2.316 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.871 -5.659 -0.523 1.00 0.00 C ATOM 907 CZ TYR A 75 1.068 -5.757 -1.643 1.00 0.00 C ATOM 908 OH TYR A 75 0.656 -6.985 -2.089 1.00 0.00 O ATOM 0 H TYR A 75 5.104 -2.223 -0.464 1.00 0.00 H new ATOM 0 HA TYR A 75 2.930 -1.004 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.710 -2.048 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.443 -1.279 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.767 -2.500 -2.398 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.892 -4.336 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.040 -4.706 -3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.185 -6.548 0.003 1.00 0.00 H new ATOM 0 HH TYR A 75 1.435 -7.567 -2.209 1.00 0.00 H new ATOM 918 N VAL A 76 2.927 0.997 -0.246 1.00 0.00 N ATOM 919 CA VAL A 76 3.278 2.262 0.388 1.00 0.00 C ATOM 920 C VAL A 76 2.260 2.560 1.482 1.00 0.00 C ATOM 921 O VAL A 76 1.331 1.785 1.692 1.00 0.00 O ATOM 922 CB VAL A 76 3.308 3.434 -0.631 1.00 0.00 C ATOM 923 CG1 VAL A 76 4.215 4.566 -0.154 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.742 2.956 -2.008 1.00 0.00 C ATOM 0 H VAL A 76 1.956 0.929 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 76 4.280 2.169 0.808 1.00 0.00 H new ATOM 0 HB VAL A 76 2.292 3.821 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.213 5.369 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.850 4.947 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.231 4.191 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.753 3.799 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.741 2.525 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.043 2.201 -2.368 1.00 0.00 H new ATOM 934 N PHE A 77 2.448 3.657 2.189 1.00 0.00 N ATOM 935 CA PHE A 77 1.493 4.092 3.192 1.00 0.00 C ATOM 936 C PHE A 77 0.652 5.243 2.664 1.00 0.00 C ATOM 937 O PHE A 77 0.902 5.750 1.567 1.00 0.00 O ATOM 938 CB PHE A 77 2.224 4.531 4.464 1.00 0.00 C ATOM 939 CG PHE A 77 2.616 3.400 5.373 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.413 2.081 5.001 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.173 3.663 6.614 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.753 1.050 5.848 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.514 2.632 7.467 1.00 0.00 C ATOM 944 CZ PHE A 77 3.302 1.324 7.083 1.00 0.00 C ATOM 0 H PHE A 77 3.259 4.268 2.087 1.00 0.00 H new ATOM 0 HA PHE A 77 0.837 3.253 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.121 5.083 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.586 5.221 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.983 1.859 4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.342 4.686 6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.590 0.026 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.946 2.849 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.566 0.516 7.749 1.00 0.00 H new ATOM 954 N ARG A 78 -0.361 5.646 3.431 1.00 0.00 N ATOM 955 CA ARG A 78 -1.103 6.861 3.117 1.00 0.00 C ATOM 956 C ARG A 78 -0.151 8.046 3.036 1.00 0.00 C ATOM 957 O ARG A 78 0.874 8.071 3.716 1.00 0.00 O ATOM 958 CB ARG A 78 -2.176 7.150 4.169 1.00 0.00 C ATOM 959 CG ARG A 78 -3.522 6.513 3.876 1.00 0.00 C ATOM 960 CD ARG A 78 -4.602 7.040 4.813 1.00 0.00 C ATOM 961 NE ARG A 78 -5.902 6.415 4.562 1.00 0.00 N ATOM 962 CZ ARG A 78 -6.897 6.385 5.449 1.00 0.00 C ATOM 963 NH1 ARG A 78 -6.796 7.068 6.585 1.00 0.00 N ATOM 964 NH2 ARG A 78 -8.006 5.704 5.187 1.00 0.00 N ATOM 0 H ARG A 78 -0.682 5.153 4.265 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.593 6.709 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.823 6.797 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.307 8.229 4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.805 6.715 2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.444 5.431 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.306 6.857 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.690 8.120 4.693 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.056 5.976 3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.957 7.615 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.557 7.045 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.099 5.201 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.765 5.684 5.868 1.00 0.00 H new ATOM 978 N GLN A 79 -0.488 8.999 2.176 1.00 0.00 N ATOM 979 CA GLN A 79 0.286 10.224 2.012 1.00 0.00 C ATOM 980 C GLN A 79 0.609 10.851 3.367 1.00 0.00 C ATOM 981 O GLN A 79 -0.261 11.431 4.015 1.00 0.00 O ATOM 982 CB GLN A 79 -0.498 11.205 1.150 1.00 0.00 C ATOM 983 CG GLN A 79 0.261 12.462 0.766 1.00 0.00 C ATOM 984 CD GLN A 79 -0.577 13.379 -0.099 1.00 0.00 C ATOM 985 OE1 GLN A 79 -1.458 12.923 -0.829 1.00 0.00 O ATOM 986 NE2 GLN A 79 -0.308 14.670 -0.035 1.00 0.00 N ATOM 0 H GLN A 79 -1.307 8.944 1.571 1.00 0.00 H new ATOM 0 HA GLN A 79 1.229 9.982 1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.813 10.695 0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.404 11.493 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.568 12.992 1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.171 12.189 0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.430 15.007 0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.838 15.330 -0.603 1.00 0.00 H new ATOM 995 N GLN A 80 1.857 10.717 3.792 1.00 0.00 N ATOM 996 CA GLN A 80 2.272 11.184 5.101 1.00 0.00 C ATOM 997 C GLN A 80 2.612 12.663 5.071 1.00 0.00 C ATOM 998 O GLN A 80 3.040 13.202 4.049 1.00 0.00 O ATOM 999 CB GLN A 80 3.489 10.409 5.593 1.00 0.00 C ATOM 1000 CG GLN A 80 3.372 8.899 5.475 1.00 0.00 C ATOM 1001 CD GLN A 80 4.501 8.176 6.182 1.00 0.00 C ATOM 1002 OE1 GLN A 80 5.619 8.683 6.274 1.00 0.00 O ATOM 1003 NE2 GLN A 80 4.216 6.993 6.697 1.00 0.00 N ATOM 0 H GLN A 80 2.601 10.286 3.244 1.00 0.00 H new ATOM 0 HA GLN A 80 1.436 11.021 5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.363 10.737 5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.668 10.665 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.419 8.577 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.368 8.619 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.277 6.607 6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.935 6.466 7.192 1.00 0.00 H new ATOM 1012 N PRO A 81 2.419 13.322 6.210 1.00 0.00 N ATOM 1013 CA PRO A 81 2.750 14.727 6.398 1.00 0.00 C ATOM 1014 C PRO A 81 4.246 14.910 6.618 1.00 0.00 C ATOM 1015 O PRO A 81 4.726 14.930 7.756 1.00 0.00 O ATOM 1016 CB PRO A 81 1.971 15.125 7.660 1.00 0.00 C ATOM 1017 CG PRO A 81 1.170 13.919 8.053 1.00 0.00 C ATOM 1018 CD PRO A 81 1.845 12.738 7.416 1.00 0.00 C ATOM 0 HA PRO A 81 2.493 15.334 5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.650 15.419 8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.321 15.978 7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 81 1.138 13.810 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.139 14.009 7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.609 12.308 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.138 11.941 7.185 1.00 0.00 H new ATOM 1026 N GLY A 82 4.973 15.018 5.524 1.00 0.00 N ATOM 1027 CA GLY A 82 6.408 15.178 5.592 1.00 0.00 C ATOM 1028 C GLY A 82 6.849 16.494 4.994 1.00 0.00 C ATOM 1029 O GLY A 82 6.094 17.125 4.254 1.00 0.00 O ATOM 0 H GLY A 82 4.592 14.998 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.732 15.123 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.892 14.357 5.063 1.00 0.00 H new ATOM 1033 N HIS A 83 8.061 16.918 5.317 1.00 0.00 N ATOM 1034 CA HIS A 83 8.613 18.135 4.736 1.00 0.00 C ATOM 1035 C HIS A 83 9.499 17.785 3.554 1.00 0.00 C ATOM 1036 O HIS A 83 10.139 18.649 2.959 1.00 0.00 O ATOM 1037 CB HIS A 83 9.411 18.934 5.770 1.00 0.00 C ATOM 1038 CG HIS A 83 8.569 19.534 6.853 1.00 0.00 C ATOM 1039 ND1 HIS A 83 7.397 20.217 6.605 1.00 0.00 N ATOM 1040 CD2 HIS A 83 8.734 19.550 8.195 1.00 0.00 C ATOM 1041 CE1 HIS A 83 6.883 20.630 7.746 1.00 0.00 C ATOM 1042 NE2 HIS A 83 7.671 20.239 8.728 1.00 0.00 N ATOM 0 H HIS A 83 8.679 16.442 5.974 1.00 0.00 H new ATOM 0 HA HIS A 83 7.784 18.756 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.157 18.281 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.952 19.731 5.260 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.549 19.104 8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.969 21.194 7.858 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.517 20.418 9.720 1.00 0.00 H new ATOM 1051 N GLU A 84 9.516 16.508 3.221 1.00 0.00 N ATOM 1052 CA GLU A 84 10.330 15.996 2.135 1.00 0.00 C ATOM 1053 C GLU A 84 9.434 15.359 1.087 1.00 0.00 C ATOM 1054 O GLU A 84 8.299 14.993 1.398 1.00 0.00 O ATOM 1055 CB GLU A 84 11.311 14.959 2.674 1.00 0.00 C ATOM 1056 CG GLU A 84 12.188 15.483 3.793 1.00 0.00 C ATOM 1057 CD GLU A 84 12.749 14.374 4.650 1.00 0.00 C ATOM 1058 OE1 GLU A 84 13.835 13.855 4.328 1.00 0.00 O ATOM 1059 OE2 GLU A 84 12.103 14.009 5.655 1.00 0.00 O ATOM 0 H GLU A 84 8.964 15.795 3.697 1.00 0.00 H new ATOM 0 HA GLU A 84 10.888 16.816 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.753 14.095 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.945 14.611 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.009 16.061 3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.609 16.163 4.417 1.00 0.00 H new ATOM 1066 N GLY A 85 9.928 15.230 -0.137 1.00 0.00 N ATOM 1067 CA GLY A 85 9.156 14.584 -1.177 1.00 0.00 C ATOM 1068 C GLY A 85 8.743 13.185 -0.776 1.00 0.00 C ATOM 1069 O GLY A 85 7.555 12.856 -0.762 1.00 0.00 O ATOM 0 H GLY A 85 10.848 15.561 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.268 15.178 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.743 14.542 -2.094 1.00 0.00 H new ATOM 1073 N VAL A 86 9.720 12.364 -0.422 1.00 0.00 N ATOM 1074 CA VAL A 86 9.434 11.021 0.046 1.00 0.00 C ATOM 1075 C VAL A 86 10.047 10.787 1.414 1.00 0.00 C ATOM 1076 O VAL A 86 11.252 10.956 1.619 1.00 0.00 O ATOM 1077 CB VAL A 86 9.956 9.934 -0.896 1.00 0.00 C ATOM 1078 CG1 VAL A 86 9.394 8.572 -0.512 1.00 0.00 C ATOM 1079 CG2 VAL A 86 9.641 10.264 -2.345 1.00 0.00 C ATOM 0 H VAL A 86 10.711 12.604 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 86 8.347 10.950 0.088 1.00 0.00 H new ATOM 0 HB VAL A 86 11.041 9.895 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.778 7.814 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.695 8.328 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.306 8.597 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.024 9.473 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.562 10.345 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.111 11.210 -2.613 1.00 0.00 H new ATOM 1089 N THR A 87 9.199 10.408 2.335 1.00 0.00 N ATOM 1090 CA THR A 87 9.610 10.045 3.681 1.00 0.00 C ATOM 1091 C THR A 87 8.720 8.912 4.196 1.00 0.00 C ATOM 1092 O THR A 87 8.763 8.543 5.370 1.00 0.00 O ATOM 1093 CB THR A 87 9.513 11.263 4.624 1.00 0.00 C ATOM 1094 OG1 THR A 87 10.043 10.950 5.923 1.00 0.00 O ATOM 1095 CG2 THR A 87 8.066 11.713 4.747 1.00 0.00 C ATOM 0 H THR A 87 8.194 10.340 2.178 1.00 0.00 H new ATOM 0 HA THR A 87 10.647 9.711 3.657 1.00 0.00 H new ATOM 0 HB THR A 87 10.106 12.073 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.801 10.031 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.008 12.573 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.686 11.991 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.465 10.899 5.151 1.00 0.00 H new ATOM 1103 N GLN A 88 7.912 8.373 3.284 1.00 0.00 N ATOM 1104 CA GLN A 88 6.945 7.341 3.589 1.00 0.00 C ATOM 1105 C GLN A 88 7.603 6.040 4.016 1.00 0.00 C ATOM 1106 O GLN A 88 8.815 5.876 3.916 1.00 0.00 O ATOM 1107 CB GLN A 88 6.104 7.074 2.349 1.00 0.00 C ATOM 1108 CG GLN A 88 5.317 8.273 1.869 1.00 0.00 C ATOM 1109 CD GLN A 88 4.067 7.881 1.135 1.00 0.00 C ATOM 1110 OE1 GLN A 88 4.063 7.728 -0.083 1.00 0.00 O ATOM 1111 NE2 GLN A 88 2.998 7.713 1.875 1.00 0.00 N ATOM 0 H GLN A 88 7.917 8.650 2.302 1.00 0.00 H new ATOM 0 HA GLN A 88 6.333 7.696 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.758 6.736 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.412 6.259 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.053 8.897 2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.945 8.878 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.049 7.851 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.115 7.444 1.442 1.00 0.00 H new ATOM 1120 N GLN A 89 6.780 5.122 4.491 1.00 0.00 N ATOM 1121 CA GLN A 89 7.209 3.770 4.760 1.00 0.00 C ATOM 1122 C GLN A 89 6.547 2.827 3.765 1.00 0.00 C ATOM 1123 O GLN A 89 5.342 2.909 3.527 1.00 0.00 O ATOM 1124 CB GLN A 89 6.864 3.364 6.192 1.00 0.00 C ATOM 1125 CG GLN A 89 7.612 4.158 7.246 1.00 0.00 C ATOM 1126 CD GLN A 89 7.273 3.720 8.658 1.00 0.00 C ATOM 1127 OE1 GLN A 89 6.365 4.263 9.289 1.00 0.00 O ATOM 1128 NE2 GLN A 89 7.994 2.731 9.162 1.00 0.00 N ATOM 0 H GLN A 89 5.797 5.297 4.699 1.00 0.00 H new ATOM 0 HA GLN A 89 8.292 3.712 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.792 3.489 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.084 2.305 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.684 4.050 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.378 5.216 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.738 2.308 8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.806 2.392 10.106 1.00 0.00 H new ATOM 1137 N THR A 90 7.346 1.974 3.155 1.00 0.00 N ATOM 1138 CA THR A 90 6.852 1.011 2.202 1.00 0.00 C ATOM 1139 C THR A 90 6.749 -0.375 2.819 1.00 0.00 C ATOM 1140 O THR A 90 7.604 -0.779 3.611 1.00 0.00 O ATOM 1141 CB THR A 90 7.768 0.950 0.970 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.144 0.956 1.379 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.498 2.122 0.051 1.00 0.00 C ATOM 0 H THR A 90 8.354 1.932 3.308 1.00 0.00 H new ATOM 0 HA THR A 90 5.856 1.335 1.899 1.00 0.00 H new ATOM 0 HB THR A 90 7.560 0.027 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.721 0.915 0.588 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.155 2.063 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.459 2.094 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.685 3.054 0.585 1.00 0.00 H new ATOM 1151 N LEU A 91 5.708 -1.101 2.445 1.00 0.00 N ATOM 1152 CA LEU A 91 5.534 -2.464 2.911 1.00 0.00 C ATOM 1153 C LEU A 91 6.188 -3.415 1.927 1.00 0.00 C ATOM 1154 O LEU A 91 5.821 -3.450 0.756 1.00 0.00 O ATOM 1155 CB LEU A 91 4.052 -2.829 3.049 1.00 0.00 C ATOM 1156 CG LEU A 91 3.799 -4.173 3.738 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.062 -4.058 5.222 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.391 -4.686 3.514 1.00 0.00 C ATOM 0 H LEU A 91 4.973 -0.769 1.821 1.00 0.00 H new ATOM 0 HA LEU A 91 5.998 -2.547 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.547 -2.044 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.601 -2.851 2.057 1.00 0.00 H new ATOM 0 HG LEU A 91 4.487 -4.890 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.878 -5.020 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.099 -3.763 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.399 -3.307 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.266 -5.641 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.674 -3.967 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.218 -4.820 2.446 1.00 0.00 H new ATOM 1170 N THR A 92 7.164 -4.164 2.394 1.00 0.00 N ATOM 1171 CA THR A 92 7.816 -5.156 1.573 1.00 0.00 C ATOM 1172 C THR A 92 7.441 -6.535 2.076 1.00 0.00 C ATOM 1173 O THR A 92 7.879 -6.961 3.143 1.00 0.00 O ATOM 1174 CB THR A 92 9.344 -4.982 1.600 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.687 -3.662 1.155 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.025 -6.014 0.719 1.00 0.00 C ATOM 0 H THR A 92 7.524 -4.102 3.346 1.00 0.00 H new ATOM 0 HA THR A 92 7.486 -5.033 0.542 1.00 0.00 H new ATOM 0 HB THR A 92 9.689 -5.125 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.661 -3.553 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.105 -5.869 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.781 -7.015 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.679 -5.901 -0.308 1.00 0.00 H new ATOM 1184 N LEU A 93 6.600 -7.224 1.337 1.00 0.00 N ATOM 1185 CA LEU A 93 6.098 -8.494 1.803 1.00 0.00 C ATOM 1186 C LEU A 93 6.984 -9.632 1.322 1.00 0.00 C ATOM 1187 O LEU A 93 7.216 -9.785 0.120 1.00 0.00 O ATOM 1188 CB LEU A 93 4.652 -8.714 1.365 1.00 0.00 C ATOM 1189 CG LEU A 93 3.820 -9.425 2.380 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.798 -8.612 3.648 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.425 -9.630 1.863 1.00 0.00 C ATOM 0 H LEU A 93 6.254 -6.930 0.423 1.00 0.00 H new ATOM 0 HA LEU A 93 6.117 -8.479 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.197 -7.748 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.646 -9.286 0.437 1.00 0.00 H new ATOM 0 HG LEU A 93 4.250 -10.406 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.193 -9.122 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.815 -8.494 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.371 -7.630 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.831 -10.150 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.971 -8.663 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.459 -10.227 0.951 1.00 0.00 H new ATOM 1203 N THR A 94 7.482 -10.417 2.271 1.00 0.00 N ATOM 1204 CA THR A 94 8.387 -11.490 1.990 1.00 0.00 C ATOM 1205 C THR A 94 7.668 -12.837 2.048 1.00 0.00 C ATOM 1206 O THR A 94 7.083 -13.208 3.078 1.00 0.00 O ATOM 1207 CB THR A 94 9.532 -11.464 3.007 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.332 -10.291 2.825 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.377 -12.702 2.875 1.00 0.00 C ATOM 0 H THR A 94 7.258 -10.313 3.261 1.00 0.00 H new ATOM 0 HA THR A 94 8.785 -11.361 0.983 1.00 0.00 H new ATOM 0 HB THR A 94 9.106 -11.441 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.059 -10.286 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.187 -12.669 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.762 -13.583 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.796 -12.751 1.870 1.00 0.00 H new ATOM 1217 N PHE A 95 7.720 -13.557 0.935 1.00 0.00 N ATOM 1218 CA PHE A 95 7.072 -14.855 0.814 1.00 0.00 C ATOM 1219 C PHE A 95 8.096 -15.952 0.584 1.00 0.00 C ATOM 1220 O PHE A 95 9.058 -15.768 -0.168 1.00 0.00 O ATOM 1221 CB PHE A 95 6.084 -14.851 -0.349 1.00 0.00 C ATOM 1222 CG PHE A 95 4.832 -14.081 -0.080 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.790 -14.678 0.591 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.695 -12.772 -0.497 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.626 -13.994 0.848 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.531 -12.079 -0.244 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.496 -12.694 0.431 1.00 0.00 C ATOM 0 H PHE A 95 8.212 -13.258 0.093 1.00 0.00 H new ATOM 0 HA PHE A 95 6.542 -15.048 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.574 -14.432 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.820 -15.880 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.888 -15.702 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.504 -12.289 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.818 -14.478 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.429 -11.056 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.584 -12.151 0.631 1.00 0.00 H new ATOM 1237 N ASN A 96 7.888 -17.084 1.244 1.00 0.00 N ATOM 1238 CA ASN A 96 8.731 -18.260 1.046 1.00 0.00 C ATOM 1239 C ASN A 96 8.395 -18.953 -0.277 1.00 0.00 C ATOM 1240 O ASN A 96 7.582 -18.451 -1.053 1.00 0.00 O ATOM 1241 CB ASN A 96 8.603 -19.237 2.227 1.00 0.00 C ATOM 1242 CG ASN A 96 7.191 -19.740 2.470 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.383 -19.874 1.549 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.890 -20.028 3.729 1.00 0.00 N ATOM 0 H ASN A 96 7.140 -17.215 1.925 1.00 0.00 H new ATOM 0 HA ASN A 96 9.768 -17.927 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.255 -20.092 2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.962 -18.745 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.960 -20.375 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.588 -19.903 4.462 1.00 0.00 H new ATOM 1251 N SER A 97 9.004 -20.114 -0.506 1.00 0.00 N ATOM 1252 CA SER A 97 8.883 -20.838 -1.768 1.00 0.00 C ATOM 1253 C SER A 97 7.432 -21.043 -2.213 1.00 0.00 C ATOM 1254 O SER A 97 7.106 -20.839 -3.382 1.00 0.00 O ATOM 1255 CB SER A 97 9.572 -22.190 -1.637 1.00 0.00 C ATOM 1256 OG SER A 97 10.910 -22.033 -1.191 1.00 0.00 O ATOM 0 H SER A 97 9.597 -20.580 0.181 1.00 0.00 H new ATOM 0 HA SER A 97 9.362 -20.228 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.022 -22.817 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.562 -22.703 -2.599 1.00 0.00 H new ATOM 0 HG SER A 97 11.334 -22.913 -1.112 1.00 0.00 H new ATOM 1262 N SER A 98 6.559 -21.432 -1.290 1.00 0.00 N ATOM 1263 CA SER A 98 5.188 -21.765 -1.656 1.00 0.00 C ATOM 1264 C SER A 98 4.347 -20.507 -1.831 1.00 0.00 C ATOM 1265 O SER A 98 3.261 -20.543 -2.415 1.00 0.00 O ATOM 1266 CB SER A 98 4.557 -22.673 -0.596 1.00 0.00 C ATOM 1267 OG SER A 98 3.248 -23.074 -0.971 1.00 0.00 O ATOM 0 H SER A 98 6.772 -21.524 -0.297 1.00 0.00 H new ATOM 0 HA SER A 98 5.215 -22.295 -2.608 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.182 -23.554 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.519 -22.149 0.359 1.00 0.00 H new ATOM 0 HG SER A 98 2.813 -22.349 -1.466 1.00 0.00 H new ATOM 1273 N GLY A 99 4.852 -19.396 -1.327 1.00 0.00 N ATOM 1274 CA GLY A 99 4.105 -18.165 -1.381 1.00 0.00 C ATOM 1275 C GLY A 99 3.374 -17.928 -0.086 1.00 0.00 C ATOM 1276 O GLY A 99 2.311 -17.320 -0.058 1.00 0.00 O ATOM 0 H GLY A 99 5.767 -19.326 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.780 -17.333 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.392 -18.202 -2.205 1.00 0.00 H new ATOM 1280 N VAL A 100 3.950 -18.434 0.985 1.00 0.00 N ATOM 1281 CA VAL A 100 3.395 -18.259 2.312 1.00 0.00 C ATOM 1282 C VAL A 100 4.116 -17.112 3.006 1.00 0.00 C ATOM 1283 O VAL A 100 5.342 -17.012 2.927 1.00 0.00 O ATOM 1284 CB VAL A 100 3.550 -19.542 3.143 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.739 -19.448 4.423 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.140 -20.760 2.329 1.00 0.00 C ATOM 0 H VAL A 100 4.813 -18.977 0.961 1.00 0.00 H new ATOM 0 HA VAL A 100 2.332 -18.034 2.222 1.00 0.00 H new ATOM 0 HB VAL A 100 4.600 -19.654 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.861 -20.365 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.087 -18.600 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.686 -19.311 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.257 -21.659 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.098 -20.660 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.771 -20.835 1.443 1.00 0.00 H new ATOM 1296 N LEU A 101 3.356 -16.232 3.645 1.00 0.00 N ATOM 1297 CA LEU A 101 3.928 -15.095 4.337 1.00 0.00 C ATOM 1298 C LEU A 101 4.881 -15.517 5.428 1.00 0.00 C ATOM 1299 O LEU A 101 4.530 -16.292 6.319 1.00 0.00 O ATOM 1300 CB LEU A 101 2.834 -14.227 4.929 1.00 0.00 C ATOM 1301 CG LEU A 101 2.502 -13.010 4.094 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.461 -12.157 4.789 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.760 -12.213 3.829 1.00 0.00 C ATOM 0 H LEU A 101 2.339 -16.288 3.696 1.00 0.00 H new ATOM 0 HA LEU A 101 4.491 -14.523 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.933 -14.828 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.139 -13.902 5.923 1.00 0.00 H new ATOM 0 HG LEU A 101 2.087 -13.336 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.235 -11.286 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.553 -12.741 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.845 -11.829 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.516 -11.337 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.194 -11.893 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.478 -12.834 3.292 1.00 0.00 H new ATOM 1315 N THR A 102 6.088 -15.000 5.346 1.00 0.00 N ATOM 1316 CA THR A 102 7.088 -15.252 6.361 1.00 0.00 C ATOM 1317 C THR A 102 7.402 -13.971 7.116 1.00 0.00 C ATOM 1318 O THR A 102 7.574 -13.981 8.334 1.00 0.00 O ATOM 1319 CB THR A 102 8.384 -15.826 5.755 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.183 -14.780 5.189 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.047 -16.823 4.669 1.00 0.00 C ATOM 0 H THR A 102 6.402 -14.400 4.583 1.00 0.00 H new ATOM 0 HA THR A 102 6.679 -15.993 7.048 1.00 0.00 H new ATOM 0 HB THR A 102 8.944 -16.316 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.002 -15.162 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.968 -17.224 4.245 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.457 -17.636 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.473 -16.328 3.886 1.00 0.00 H new ATOM 1329 N ASN A 103 7.463 -12.860 6.388 1.00 0.00 N ATOM 1330 CA ASN A 103 7.753 -11.575 7.017 1.00 0.00 C ATOM 1331 C ASN A 103 6.976 -10.438 6.370 1.00 0.00 C ATOM 1332 O ASN A 103 6.690 -10.457 5.169 1.00 0.00 O ATOM 1333 CB ASN A 103 9.251 -11.261 6.951 1.00 0.00 C ATOM 1334 CG ASN A 103 9.640 -10.073 7.817 1.00 0.00 C ATOM 1335 OD1 ASN A 103 9.035 -9.821 8.860 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.640 -9.321 7.383 1.00 0.00 N ATOM 0 H ASN A 103 7.318 -12.822 5.379 1.00 0.00 H new ATOM 0 HA ASN A 103 7.442 -11.658 8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.816 -12.137 7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.531 -11.059 5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.932 -8.503 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.118 -9.560 6.514 1.00 0.00 H new ATOM 1343 N ILE A 104 6.648 -9.455 7.189 1.00 0.00 N ATOM 1344 CA ILE A 104 6.037 -8.217 6.728 1.00 0.00 C ATOM 1345 C ILE A 104 7.057 -7.100 6.932 1.00 0.00 C ATOM 1346 O ILE A 104 7.177 -6.565 8.036 1.00 0.00 O ATOM 1347 CB ILE A 104 4.765 -7.847 7.536 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.946 -9.085 7.935 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.902 -6.852 6.761 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.282 -9.815 6.792 1.00 0.00 C ATOM 0 H ILE A 104 6.798 -9.491 8.197 1.00 0.00 H new ATOM 0 HA ILE A 104 5.749 -8.346 5.685 1.00 0.00 H new ATOM 0 HB ILE A 104 5.099 -7.375 8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.602 -9.782 8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.177 -8.779 8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.016 -6.606 7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.475 -5.944 6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.599 -7.295 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.730 -10.672 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.595 -9.141 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.042 -10.160 6.090 1.00 0.00 H new ATOM 1362 N ASP A 105 7.819 -6.767 5.907 1.00 0.00 N ATOM 1363 CA ASP A 105 8.883 -5.788 6.074 1.00 0.00 C ATOM 1364 C ASP A 105 8.352 -4.381 5.883 1.00 0.00 C ATOM 1365 O ASP A 105 8.255 -3.882 4.765 1.00 0.00 O ATOM 1366 CB ASP A 105 10.026 -6.053 5.099 1.00 0.00 C ATOM 1367 CG ASP A 105 11.273 -5.260 5.436 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.485 -4.960 6.634 1.00 0.00 O ATOM 1369 OD2 ASP A 105 12.064 -4.962 4.516 1.00 0.00 O ATOM 0 H ASP A 105 7.727 -7.150 4.966 1.00 0.00 H new ATOM 0 HA ASP A 105 9.266 -5.882 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.264 -7.117 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.703 -5.803 4.089 1.00 0.00 H new ATOM 1374 N ASN A 106 8.011 -3.744 6.984 1.00 0.00 N ATOM 1375 CA ASN A 106 7.536 -2.378 6.957 1.00 0.00 C ATOM 1376 C ASN A 106 8.644 -1.444 7.404 1.00 0.00 C ATOM 1377 O ASN A 106 8.978 -1.354 8.589 1.00 0.00 O ATOM 1378 CB ASN A 106 6.283 -2.222 7.820 1.00 0.00 C ATOM 1379 CG ASN A 106 5.861 -0.778 8.004 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.126 0.077 7.158 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.179 -0.498 9.103 1.00 0.00 N ATOM 0 H ASN A 106 8.055 -4.156 7.916 1.00 0.00 H new ATOM 0 HA ASN A 106 7.257 -2.115 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.464 -2.778 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.465 -2.668 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.853 0.454 9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.979 -1.234 9.781 1.00 0.00 H new ATOM 1388 N LYS A 107 9.221 -0.779 6.431 1.00 0.00 N ATOM 1389 CA LYS A 107 10.348 0.104 6.650 1.00 0.00 C ATOM 1390 C LYS A 107 10.159 1.362 5.800 1.00 0.00 C ATOM 1391 O LYS A 107 9.240 1.413 4.988 1.00 0.00 O ATOM 1392 CB LYS A 107 11.640 -0.621 6.272 1.00 0.00 C ATOM 1393 CG LYS A 107 11.813 -0.783 4.782 1.00 0.00 C ATOM 1394 CD LYS A 107 13.157 -1.391 4.431 1.00 0.00 C ATOM 1395 CE LYS A 107 13.309 -1.566 2.928 1.00 0.00 C ATOM 1396 NZ LYS A 107 14.639 -2.120 2.567 1.00 0.00 N ATOM 0 H LYS A 107 8.921 -0.834 5.458 1.00 0.00 H new ATOM 0 HA LYS A 107 10.410 0.392 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.490 -0.069 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.649 -1.604 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.016 -1.415 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.717 0.189 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.957 -0.753 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.261 -2.357 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.527 -2.229 2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.170 -0.604 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.703 -2.224 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.385 -1.475 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.762 -3.050 3.017 1.00 0.00 H new ATOM 1410 N PRO A 108 11.007 2.388 5.952 1.00 0.00 N ATOM 1411 CA PRO A 108 10.847 3.630 5.209 1.00 0.00 C ATOM 1412 C PRO A 108 11.282 3.492 3.754 1.00 0.00 C ATOM 1413 O PRO A 108 12.113 2.647 3.409 1.00 0.00 O ATOM 1414 CB PRO A 108 11.735 4.623 5.953 1.00 0.00 C ATOM 1415 CG PRO A 108 12.754 3.800 6.667 1.00 0.00 C ATOM 1416 CD PRO A 108 12.182 2.417 6.836 1.00 0.00 C ATOM 0 HA PRO A 108 9.804 3.942 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 108 12.209 5.319 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 108 11.152 5.219 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 108 13.684 3.764 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 108 12.990 4.238 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 108 12.907 1.652 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 108 11.902 2.228 7.872 1.00 0.00 H new ATOM 1424 N ALA A 109 10.697 4.327 2.909 1.00 0.00 N ATOM 1425 CA ALA A 109 10.952 4.299 1.482 1.00 0.00 C ATOM 1426 C ALA A 109 12.241 5.005 1.117 1.00 0.00 C ATOM 1427 O ALA A 109 12.968 5.501 1.980 1.00 0.00 O ATOM 1428 CB ALA A 109 9.802 4.936 0.736 1.00 0.00 C ATOM 0 H ALA A 109 10.031 5.044 3.197 1.00 0.00 H new ATOM 0 HA ALA A 109 11.051 3.252 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.004 4.910 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.884 4.387 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.688 5.971 1.058 1.00 0.00 H new ATOM 1434 N LEU A 110 12.501 5.036 -0.175 1.00 0.00 N ATOM 1435 CA LEU A 110 13.652 5.726 -0.723 1.00 0.00 C ATOM 1436 C LEU A 110 13.574 7.215 -0.404 1.00 0.00 C ATOM 1437 O LEU A 110 12.684 7.915 -0.889 1.00 0.00 O ATOM 1438 CB LEU A 110 13.693 5.522 -2.235 1.00 0.00 C ATOM 1439 CG LEU A 110 13.395 4.093 -2.696 1.00 0.00 C ATOM 1440 CD1 LEU A 110 13.318 4.029 -4.208 1.00 0.00 C ATOM 1441 CD2 LEU A 110 14.470 3.139 -2.209 1.00 0.00 C ATOM 0 H LEU A 110 11.917 4.581 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 110 14.559 5.319 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.973 6.196 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.679 5.809 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 110 12.435 3.797 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.106 3.006 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.524 4.687 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.269 4.347 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.240 2.129 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.436 3.445 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.507 3.158 -1.120 1.00 0.00 H new ATOM 1453 N SER A 111 14.490 7.675 0.428 1.00 0.00 N ATOM 1454 CA SER A 111 14.565 9.068 0.817 1.00 0.00 C ATOM 1455 C SER A 111 14.628 9.987 -0.404 1.00 0.00 C ATOM 1456 O SER A 111 15.548 9.894 -1.220 1.00 0.00 O ATOM 1457 CB SER A 111 15.797 9.265 1.691 1.00 0.00 C ATOM 1458 OG SER A 111 15.757 8.410 2.823 1.00 0.00 O ATOM 0 H SER A 111 15.207 7.088 0.855 1.00 0.00 H new ATOM 0 HA SER A 111 13.665 9.329 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 111 16.696 9.063 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.854 10.304 2.017 1.00 0.00 H new ATOM 0 HG SER A 111 16.558 8.552 3.369 1.00 0.00 H new ATOM 1464 N GLY A 112 13.644 10.865 -0.522 1.00 0.00 N ATOM 1465 CA GLY A 112 13.592 11.774 -1.641 1.00 0.00 C ATOM 1466 C GLY A 112 13.366 13.198 -1.196 1.00 0.00 C ATOM 1467 O GLY A 112 12.448 13.471 -0.420 1.00 0.00 O ATOM 0 H GLY A 112 12.877 10.962 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.524 11.712 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.792 11.473 -2.317 1.00 0.00 H new ATOM 1471 N ASN A 113 14.204 14.093 -1.689 1.00 0.00 N ATOM 1472 CA ASN A 113 14.127 15.507 -1.347 1.00 0.00 C ATOM 1473 C ASN A 113 12.946 16.173 -2.047 1.00 0.00 C ATOM 1474 O ASN A 113 11.937 16.441 -1.371 1.00 0.00 O ATOM 1475 CB ASN A 113 15.440 16.234 -1.690 1.00 0.00 C ATOM 1476 CG ASN A 113 15.902 16.029 -3.127 1.00 0.00 C ATOM 1477 OD1 ASN A 113 15.757 14.946 -3.700 1.00 0.00 O ATOM 1478 ND2 ASN A 113 16.449 17.074 -3.727 1.00 0.00 N ATOM 1479 OXT ASN A 113 13.016 16.418 -3.270 1.00 0.00 O ATOM 0 H ASN A 113 14.957 13.863 -2.337 1.00 0.00 H new ATOM 0 HA ASN A 113 13.972 15.580 -0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 113 15.311 17.301 -1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 113 16.222 15.888 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 113 16.766 16.999 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 113 16.553 17.955 -3.223 1.00 0.00 H new TER 1486 ASN A 113