USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1125 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 64 GLN : amide:sc= 1.06 K(o=2.3,f=0.89) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.00667 K(o=2.3,f=0.87) USER MOD Set 1.3: A 69 HIS : no HD1:sc= 1.22 K(o=2.3,f=-8.5!) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.578 K(o=0.38,f=-1.8) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.201 K(o=0.38,f=-0.67!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 154:sc=-0.00112 (180deg=-0.827) USER MOD Single : A 5 MET CE :methyl -117:sc= -0.0239 (180deg=-0.187) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0559) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -128:sc= 0 (180deg=-0.273) USER MOD Single : A 9 THR OG1 : rot -100:sc= 0.964 USER MOD Single : A 11 ASN : amide:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0842 X(o=-0.084,f=-0.015) USER MOD Single : A 30 MET CE :methyl 175:sc=-0.00273 (180deg=-0.0234) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0153) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.66) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00382) USER MOD Single : A 66 MET CE :methyl 168:sc= 0 (180deg=-0.174) USER MOD Single : A 70 HIS : +bothHN:sc= 1.47 K(o=1.5,f=-7.7!) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0187) USER MOD Single : A 74 MET CE :methyl -123:sc= 0 (180deg=-0.157) USER MOD Single : A 78 MET CE :methyl 164:sc=-0.00515 (180deg=-0.295) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0459 K(o=-0.046,f=-5.7!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.451 X(o=-0.45,f=0.019) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.858) USER MOD Single : A 95 HIS : no HD1:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.428 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.514 K(o=0.51,f=-0.81) USER MOD Single : A 117 MET CE :methyl -165:sc= -0.0332 (180deg=-0.363) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 HIS : no HE2:sc= 0.803 K(o=0.8,f=-3.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.770 -25.459 11.903 1.00 1.03 N ATOM 2 CA SER A 1 7.599 -25.549 10.397 1.00 51.44 C ATOM 3 C SER A 1 6.432 -26.403 9.929 1.00 1.23 C ATOM 4 O SER A 1 5.692 -26.029 9.020 1.00 15.21 O ATOM 5 CB SER A 1 8.896 -26.103 9.728 1.00 73.20 C ATOM 6 OG SER A 1 9.997 -25.202 9.872 1.00 1.13 O ATOM 0 H1 SER A 1 8.589 -24.857 12.124 1.00 1.03 H new ATOM 0 H2 SER A 1 6.914 -25.047 12.326 1.00 1.03 H new ATOM 0 H3 SER A 1 7.925 -26.411 12.292 1.00 1.03 H new ATOM 0 HA SER A 1 7.389 -24.524 10.092 1.00 51.44 H new ATOM 0 HB2 SER A 1 9.153 -27.064 10.174 1.00 73.20 H new ATOM 0 HB3 SER A 1 8.710 -26.283 8.669 1.00 73.20 H new ATOM 0 HG SER A 1 10.791 -25.584 9.442 1.00 1.13 H new ATOM 14 N LYS A 2 6.234 -27.589 10.548 1.00 74.41 N ATOM 15 CA LYS A 2 5.283 -28.604 10.137 1.00 2.22 C ATOM 16 C LYS A 2 3.821 -28.204 10.243 1.00 53.04 C ATOM 17 O LYS A 2 3.008 -28.616 9.422 1.00 41.21 O ATOM 18 CB LYS A 2 5.550 -29.937 10.894 1.00 23.24 C ATOM 19 CG LYS A 2 5.347 -29.906 12.421 1.00 24.31 C ATOM 20 CD LYS A 2 5.702 -31.222 13.147 1.00 73.01 C ATOM 21 CE LYS A 2 4.620 -32.312 13.147 1.00 63.21 C ATOM 22 NZ LYS A 2 4.558 -33.021 11.854 1.00 15.35 N ATOM 0 H LYS A 2 6.761 -27.860 11.378 1.00 74.41 H new ATOM 0 HA LYS A 2 5.455 -28.739 9.069 1.00 2.22 H new ATOM 0 HB2 LYS A 2 4.897 -30.704 10.477 1.00 23.24 H new ATOM 0 HB3 LYS A 2 6.575 -30.246 10.691 1.00 23.24 H new ATOM 0 HG2 LYS A 2 5.954 -29.102 12.838 1.00 24.31 H new ATOM 0 HG3 LYS A 2 4.306 -29.661 12.630 1.00 24.31 H new ATOM 0 HD2 LYS A 2 6.602 -31.633 12.690 1.00 73.01 H new ATOM 0 HD3 LYS A 2 5.950 -30.986 14.182 1.00 73.01 H new ATOM 0 HE2 LYS A 2 4.824 -33.027 13.944 1.00 63.21 H new ATOM 0 HE3 LYS A 2 3.651 -31.862 13.362 1.00 63.21 H new ATOM 0 HZ1 LYS A 2 4.178 -33.978 12.001 1.00 15.35 H new ATOM 0 HZ2 LYS A 2 3.940 -32.499 11.201 1.00 15.35 H new ATOM 0 HZ3 LYS A 2 5.513 -33.087 11.448 1.00 15.35 H new ATOM 36 N GLU A 3 3.452 -27.360 11.237 1.00 41.41 N ATOM 37 CA GLU A 3 2.099 -26.843 11.394 1.00 70.42 C ATOM 38 C GLU A 3 1.916 -25.484 10.762 1.00 60.31 C ATOM 39 O GLU A 3 0.886 -24.832 10.914 1.00 71.14 O ATOM 40 CB GLU A 3 1.658 -26.790 12.884 1.00 52.52 C ATOM 41 CG GLU A 3 1.576 -28.186 13.550 1.00 25.01 C ATOM 42 CD GLU A 3 1.117 -28.113 15.007 1.00 42.23 C ATOM 43 OE1 GLU A 3 1.919 -28.511 15.892 1.00 12.14 O ATOM 44 OE2 GLU A 3 -0.037 -27.670 15.241 1.00 75.43 O ATOM 0 H GLU A 3 4.100 -27.025 11.950 1.00 41.41 H new ATOM 0 HA GLU A 3 1.459 -27.550 10.866 1.00 70.42 H new ATOM 0 HB2 GLU A 3 2.360 -26.170 13.441 1.00 52.52 H new ATOM 0 HB3 GLU A 3 0.684 -26.306 12.950 1.00 52.52 H new ATOM 0 HG2 GLU A 3 0.886 -28.814 12.986 1.00 25.01 H new ATOM 0 HG3 GLU A 3 2.554 -28.665 13.504 1.00 25.01 H new ATOM 51 N VAL A 4 2.941 -25.046 10.025 1.00 43.20 N ATOM 52 CA VAL A 4 2.954 -23.753 9.342 1.00 73.41 C ATOM 53 C VAL A 4 2.734 -24.065 7.878 1.00 12.23 C ATOM 54 O VAL A 4 1.823 -23.575 7.211 1.00 43.14 O ATOM 55 CB VAL A 4 4.299 -23.027 9.411 1.00 32.33 C ATOM 56 CG1 VAL A 4 4.246 -21.644 8.722 1.00 32.44 C ATOM 57 CG2 VAL A 4 4.878 -22.976 10.829 1.00 31.51 C ATOM 0 H VAL A 4 3.794 -25.587 9.885 1.00 43.20 H new ATOM 0 HA VAL A 4 2.205 -23.116 9.813 1.00 73.41 H new ATOM 0 HB VAL A 4 5.006 -23.626 8.837 1.00 32.33 H new ATOM 0 HG11 VAL A 4 5.222 -21.164 8.795 1.00 32.44 H new ATOM 0 HG12 VAL A 4 3.981 -21.770 7.672 1.00 32.44 H new ATOM 0 HG13 VAL A 4 3.498 -21.021 9.213 1.00 32.44 H new ATOM 0 HG21 VAL A 4 5.832 -22.449 10.814 1.00 31.51 H new ATOM 0 HG22 VAL A 4 4.184 -22.452 11.487 1.00 31.51 H new ATOM 0 HG23 VAL A 4 5.030 -23.991 11.197 1.00 31.51 H new ATOM 67 N MET A 5 3.661 -24.908 7.375 1.00 13.24 N ATOM 68 CA MET A 5 3.895 -25.441 6.064 1.00 5.15 C ATOM 69 C MET A 5 4.363 -24.394 5.086 1.00 60.42 C ATOM 70 O MET A 5 5.254 -24.630 4.273 1.00 14.24 O ATOM 71 CB MET A 5 2.674 -26.213 5.491 1.00 32.32 C ATOM 72 CG MET A 5 2.320 -27.478 6.299 1.00 51.52 C ATOM 73 SD MET A 5 0.882 -28.396 5.662 1.00 24.21 S ATOM 74 CE MET A 5 -0.387 -27.248 6.272 1.00 14.02 C ATOM 0 H MET A 5 4.368 -25.275 8.011 1.00 13.24 H new ATOM 0 HA MET A 5 4.702 -26.161 6.195 1.00 5.15 H new ATOM 0 HB2 MET A 5 1.810 -25.549 5.471 1.00 32.32 H new ATOM 0 HB3 MET A 5 2.883 -26.496 4.459 1.00 32.32 H new ATOM 0 HG2 MET A 5 3.184 -28.142 6.310 1.00 51.52 H new ATOM 0 HG3 MET A 5 2.125 -27.192 7.333 1.00 51.52 H new ATOM 0 HE1 MET A 5 -1.022 -27.759 6.996 1.00 14.02 H new ATOM 0 HE2 MET A 5 0.094 -26.394 6.749 1.00 14.02 H new ATOM 0 HE3 MET A 5 -0.996 -26.901 5.437 1.00 14.02 H new ATOM 84 N LYS A 6 3.765 -23.197 5.165 1.00 14.53 N ATOM 85 CA LYS A 6 4.135 -22.042 4.402 1.00 64.14 C ATOM 86 C LYS A 6 5.505 -21.455 4.702 1.00 62.24 C ATOM 87 O LYS A 6 6.104 -21.644 5.757 1.00 60.33 O ATOM 88 CB LYS A 6 3.110 -20.908 4.551 1.00 51.52 C ATOM 89 CG LYS A 6 1.734 -21.216 3.948 1.00 3.01 C ATOM 90 CD LYS A 6 0.937 -19.912 3.791 1.00 3.55 C ATOM 91 CE LYS A 6 -0.580 -20.078 3.707 1.00 14.41 C ATOM 92 NZ LYS A 6 -1.126 -20.493 5.013 1.00 44.14 N ATOM 0 H LYS A 6 2.981 -23.021 5.793 1.00 14.53 H new ATOM 0 HA LYS A 6 4.165 -22.434 3.385 1.00 64.14 H new ATOM 0 HB2 LYS A 6 2.987 -20.682 5.610 1.00 51.52 H new ATOM 0 HB3 LYS A 6 3.508 -20.010 4.078 1.00 51.52 H new ATOM 0 HG2 LYS A 6 1.851 -21.702 2.979 1.00 3.01 H new ATOM 0 HG3 LYS A 6 1.192 -21.911 4.590 1.00 3.01 H new ATOM 0 HD2 LYS A 6 1.168 -19.261 4.634 1.00 3.55 H new ATOM 0 HD3 LYS A 6 1.280 -19.402 2.891 1.00 3.55 H new ATOM 0 HE2 LYS A 6 -1.038 -19.139 3.396 1.00 14.41 H new ATOM 0 HE3 LYS A 6 -0.829 -20.821 2.949 1.00 14.41 H new ATOM 0 HZ1 LYS A 6 -2.163 -20.422 4.994 1.00 44.14 H new ATOM 0 HZ2 LYS A 6 -0.850 -21.477 5.208 1.00 44.14 H new ATOM 0 HZ3 LYS A 6 -0.750 -19.874 5.759 1.00 44.14 H new ATOM 106 N GLN A 7 6.022 -20.722 3.694 1.00 1.21 N ATOM 107 CA GLN A 7 7.340 -20.115 3.664 1.00 54.01 C ATOM 108 C GLN A 7 7.550 -18.991 4.668 1.00 12.43 C ATOM 109 O GLN A 7 8.627 -18.860 5.245 1.00 61.20 O ATOM 110 CB GLN A 7 7.668 -19.579 2.244 1.00 33.11 C ATOM 111 CG GLN A 7 7.815 -20.704 1.193 1.00 0.32 C ATOM 112 CD GLN A 7 8.167 -20.147 -0.190 1.00 15.54 C ATOM 113 OE1 GLN A 7 9.299 -20.280 -0.658 1.00 73.40 O ATOM 114 NE2 GLN A 7 7.173 -19.515 -0.867 1.00 72.23 N ATOM 0 H GLN A 7 5.492 -20.537 2.842 1.00 1.21 H new ATOM 0 HA GLN A 7 8.017 -20.921 3.947 1.00 54.01 H new ATOM 0 HB2 GLN A 7 6.880 -18.895 1.929 1.00 33.11 H new ATOM 0 HB3 GLN A 7 8.593 -19.003 2.284 1.00 33.11 H new ATOM 0 HG2 GLN A 7 8.590 -21.401 1.512 1.00 0.32 H new ATOM 0 HG3 GLN A 7 6.884 -21.268 1.132 1.00 0.32 H new ATOM 0 HE21 GLN A 7 6.248 -19.424 -0.447 1.00 72.23 H new ATOM 0 HE22 GLN A 7 7.352 -19.132 -1.795 1.00 72.23 H new ATOM 123 N MET A 8 6.538 -18.117 4.855 1.00 21.34 N ATOM 124 CA MET A 8 6.703 -16.856 5.543 1.00 61.44 C ATOM 125 C MET A 8 5.471 -16.520 6.357 1.00 12.42 C ATOM 126 O MET A 8 4.412 -17.124 6.200 1.00 22.25 O ATOM 127 CB MET A 8 7.006 -15.691 4.559 1.00 11.13 C ATOM 128 CG MET A 8 5.885 -15.387 3.541 1.00 41.33 C ATOM 129 SD MET A 8 6.259 -14.011 2.408 1.00 71.11 S ATOM 130 CE MET A 8 6.034 -12.670 3.615 1.00 23.52 C ATOM 0 H MET A 8 5.587 -18.284 4.525 1.00 21.34 H new ATOM 0 HA MET A 8 7.558 -16.972 6.209 1.00 61.44 H new ATOM 0 HB2 MET A 8 7.205 -14.789 5.138 1.00 11.13 H new ATOM 0 HB3 MET A 8 7.919 -15.926 4.012 1.00 11.13 H new ATOM 0 HG2 MET A 8 5.690 -16.284 2.953 1.00 41.33 H new ATOM 0 HG3 MET A 8 4.969 -15.157 4.084 1.00 41.33 H new ATOM 0 HE1 MET A 8 5.346 -11.928 3.210 1.00 23.52 H new ATOM 0 HE2 MET A 8 5.625 -13.078 4.540 1.00 23.52 H new ATOM 0 HE3 MET A 8 6.996 -12.200 3.820 1.00 23.52 H new ATOM 140 N THR A 9 5.608 -15.529 7.264 1.00 65.32 N ATOM 141 CA THR A 9 4.543 -15.012 8.105 1.00 65.15 C ATOM 142 C THR A 9 4.587 -13.505 7.952 1.00 24.34 C ATOM 143 O THR A 9 5.610 -12.947 7.555 1.00 5.34 O ATOM 144 CB THR A 9 4.665 -15.452 9.569 1.00 22.34 C ATOM 145 OG1 THR A 9 3.559 -15.027 10.358 1.00 3.32 O ATOM 146 CG2 THR A 9 5.964 -14.954 10.230 1.00 42.51 C ATOM 0 H THR A 9 6.500 -15.061 7.425 1.00 65.32 H new ATOM 0 HA THR A 9 3.580 -15.414 7.791 1.00 65.15 H new ATOM 0 HB THR A 9 4.681 -16.541 9.535 1.00 22.34 H new ATOM 0 HG1 THR A 9 3.807 -14.225 10.863 1.00 3.32 H new ATOM 0 HG21 THR A 9 5.999 -15.294 11.265 1.00 42.51 H new ATOM 0 HG22 THR A 9 6.823 -15.351 9.689 1.00 42.51 H new ATOM 0 HG23 THR A 9 5.991 -13.865 10.205 1.00 42.51 H new ATOM 154 N ILE A 10 3.451 -12.816 8.204 1.00 10.04 N ATOM 155 CA ILE A 10 3.267 -11.407 7.899 1.00 44.15 C ATOM 156 C ILE A 10 3.193 -10.635 9.210 1.00 25.32 C ATOM 157 O ILE A 10 2.478 -11.005 10.139 1.00 23.24 O ATOM 158 CB ILE A 10 2.036 -11.170 7.022 1.00 34.43 C ATOM 159 CG1 ILE A 10 2.165 -11.911 5.664 1.00 61.02 C ATOM 160 CG2 ILE A 10 1.782 -9.660 6.804 1.00 33.00 C ATOM 161 CD1 ILE A 10 0.886 -11.887 4.818 1.00 51.23 C ATOM 0 H ILE A 10 2.631 -13.245 8.633 1.00 10.04 H new ATOM 0 HA ILE A 10 4.116 -11.047 7.318 1.00 44.15 H new ATOM 0 HB ILE A 10 1.174 -11.580 7.549 1.00 34.43 H new ATOM 0 HG12 ILE A 10 2.976 -11.461 5.091 1.00 61.02 H new ATOM 0 HG13 ILE A 10 2.445 -12.948 5.852 1.00 61.02 H new ATOM 0 HG21 ILE A 10 0.901 -9.526 6.177 1.00 33.00 H new ATOM 0 HG22 ILE A 10 1.619 -9.176 7.767 1.00 33.00 H new ATOM 0 HG23 ILE A 10 2.647 -9.213 6.314 1.00 33.00 H new ATOM 0 HD11 ILE A 10 1.056 -12.425 3.885 1.00 51.23 H new ATOM 0 HD12 ILE A 10 0.076 -12.364 5.369 1.00 51.23 H new ATOM 0 HD13 ILE A 10 0.615 -10.855 4.597 1.00 51.23 H new ATOM 173 N ASN A 11 3.993 -9.549 9.323 1.00 62.14 N ATOM 174 CA ASN A 11 4.199 -8.798 10.550 1.00 21.11 C ATOM 175 C ASN A 11 3.053 -7.851 10.908 1.00 62.13 C ATOM 176 O ASN A 11 2.216 -7.481 10.085 1.00 44.34 O ATOM 177 CB ASN A 11 5.515 -7.971 10.487 1.00 65.45 C ATOM 178 CG ASN A 11 6.725 -8.905 10.409 1.00 44.12 C ATOM 179 OD1 ASN A 11 6.989 -9.665 11.341 1.00 14.05 O ATOM 180 ND2 ASN A 11 7.485 -8.841 9.284 1.00 61.31 N ATOM 0 H ASN A 11 4.519 -9.174 8.534 1.00 62.14 H new ATOM 0 HA ASN A 11 4.253 -9.558 11.330 1.00 21.11 H new ATOM 0 HB2 ASN A 11 5.498 -7.313 9.618 1.00 65.45 H new ATOM 0 HB3 ASN A 11 5.595 -7.334 11.368 1.00 65.45 H new ATOM 0 HD21 ASN A 11 8.308 -9.436 9.190 1.00 61.31 H new ATOM 0 HD22 ASN A 11 7.232 -8.198 8.534 1.00 61.31 H new ATOM 187 N PHE A 12 3.051 -7.393 12.186 1.00 14.23 N ATOM 188 CA PHE A 12 2.040 -6.580 12.855 1.00 62.14 C ATOM 189 C PHE A 12 1.784 -5.256 12.138 1.00 44.55 C ATOM 190 O PHE A 12 0.656 -4.776 12.060 1.00 45.22 O ATOM 191 CB PHE A 12 2.477 -6.340 14.334 1.00 25.40 C ATOM 192 CG PHE A 12 1.469 -5.558 15.145 1.00 23.31 C ATOM 193 CD1 PHE A 12 0.369 -6.210 15.726 1.00 44.42 C ATOM 194 CD2 PHE A 12 1.601 -4.168 15.314 1.00 33.24 C ATOM 195 CE1 PHE A 12 -0.586 -5.490 16.456 1.00 14.45 C ATOM 196 CE2 PHE A 12 0.647 -3.442 16.039 1.00 10.03 C ATOM 197 CZ PHE A 12 -0.447 -4.104 16.610 1.00 60.43 C ATOM 0 H PHE A 12 3.826 -7.608 12.814 1.00 14.23 H new ATOM 0 HA PHE A 12 1.096 -7.124 12.832 1.00 62.14 H new ATOM 0 HB2 PHE A 12 2.648 -7.303 14.814 1.00 25.40 H new ATOM 0 HB3 PHE A 12 3.428 -5.807 14.341 1.00 25.40 H new ATOM 0 HD1 PHE A 12 0.258 -7.278 15.609 1.00 44.42 H new ATOM 0 HD2 PHE A 12 2.447 -3.655 14.880 1.00 33.24 H new ATOM 0 HE1 PHE A 12 -1.427 -6.002 16.899 1.00 14.45 H new ATOM 0 HE2 PHE A 12 0.755 -2.374 16.157 1.00 10.03 H new ATOM 0 HZ PHE A 12 -1.184 -3.546 17.169 1.00 60.43 H new ATOM 207 N ALA A 13 2.847 -4.615 11.617 1.00 64.21 N ATOM 208 CA ALA A 13 2.773 -3.381 10.868 1.00 1.12 C ATOM 209 C ALA A 13 2.019 -3.416 9.550 1.00 14.34 C ATOM 210 O ALA A 13 1.485 -2.387 9.139 1.00 74.10 O ATOM 211 CB ALA A 13 4.187 -2.875 10.586 1.00 1.51 C ATOM 0 H ALA A 13 3.800 -4.964 11.717 1.00 64.21 H new ATOM 0 HA ALA A 13 2.193 -2.722 11.513 1.00 1.12 H new ATOM 0 HB1 ALA A 13 4.134 -1.944 10.021 1.00 1.51 H new ATOM 0 HB2 ALA A 13 4.705 -2.699 11.529 1.00 1.51 H new ATOM 0 HB3 ALA A 13 4.732 -3.621 10.007 1.00 1.51 H new ATOM 217 N LYS A 14 1.951 -4.564 8.832 1.00 40.43 N ATOM 218 CA LYS A 14 1.304 -4.621 7.529 1.00 33.43 C ATOM 219 C LYS A 14 -0.184 -4.288 7.545 1.00 72.25 C ATOM 220 O LYS A 14 -0.569 -3.472 6.705 1.00 60.44 O ATOM 221 CB LYS A 14 1.516 -5.977 6.799 1.00 45.22 C ATOM 222 CG LYS A 14 2.913 -6.167 6.167 1.00 64.15 C ATOM 223 CD LYS A 14 4.079 -6.324 7.158 1.00 15.32 C ATOM 224 CE LYS A 14 5.388 -6.798 6.519 1.00 2.22 C ATOM 225 NZ LYS A 14 5.890 -5.786 5.570 1.00 74.13 N ATOM 0 H LYS A 14 2.340 -5.453 9.146 1.00 40.43 H new ATOM 0 HA LYS A 14 1.810 -3.833 6.971 1.00 33.43 H new ATOM 0 HB2 LYS A 14 1.342 -6.786 7.509 1.00 45.22 H new ATOM 0 HB3 LYS A 14 0.764 -6.073 6.016 1.00 45.22 H new ATOM 0 HG2 LYS A 14 2.884 -7.048 5.526 1.00 64.15 H new ATOM 0 HG3 LYS A 14 3.120 -5.311 5.524 1.00 64.15 H new ATOM 0 HD2 LYS A 14 4.254 -5.367 7.650 1.00 15.32 H new ATOM 0 HD3 LYS A 14 3.789 -7.033 7.933 1.00 15.32 H new ATOM 0 HE2 LYS A 14 6.133 -6.982 7.293 1.00 2.22 H new ATOM 0 HE3 LYS A 14 5.226 -7.744 6.001 1.00 2.22 H new ATOM 0 HZ1 LYS A 14 6.787 -6.112 5.157 1.00 74.13 H new ATOM 0 HZ2 LYS A 14 5.191 -5.643 4.813 1.00 74.13 H new ATOM 0 HZ3 LYS A 14 6.046 -4.888 6.071 1.00 74.13 H new ATOM 239 N PRO A 15 -1.076 -4.768 8.425 1.00 40.02 N ATOM 240 CA PRO A 15 -2.412 -4.201 8.528 1.00 74.53 C ATOM 241 C PRO A 15 -2.412 -2.789 9.078 1.00 10.13 C ATOM 242 O PRO A 15 -3.335 -2.038 8.774 1.00 35.00 O ATOM 243 CB PRO A 15 -3.155 -5.151 9.469 1.00 21.10 C ATOM 244 CG PRO A 15 -2.069 -5.783 10.335 1.00 73.42 C ATOM 245 CD PRO A 15 -0.856 -5.844 9.400 1.00 63.32 C ATOM 0 HA PRO A 15 -2.880 -4.116 7.547 1.00 74.53 H new ATOM 0 HB2 PRO A 15 -3.882 -4.614 10.078 1.00 21.10 H new ATOM 0 HB3 PRO A 15 -3.705 -5.909 8.911 1.00 21.10 H new ATOM 0 HG2 PRO A 15 -1.863 -5.183 11.221 1.00 73.42 H new ATOM 0 HG3 PRO A 15 -2.359 -6.775 10.682 1.00 73.42 H new ATOM 0 HD2 PRO A 15 0.074 -5.696 9.949 1.00 63.32 H new ATOM 0 HD3 PRO A 15 -0.785 -6.814 8.908 1.00 63.32 H new ATOM 253 N MET A 16 -1.415 -2.393 9.902 1.00 34.05 N ATOM 254 CA MET A 16 -1.435 -1.101 10.556 1.00 71.20 C ATOM 255 C MET A 16 -1.170 0.037 9.570 1.00 12.32 C ATOM 256 O MET A 16 -1.848 1.062 9.589 1.00 73.43 O ATOM 257 CB MET A 16 -0.429 -1.098 11.729 1.00 42.33 C ATOM 258 CG MET A 16 -0.537 0.134 12.641 1.00 4.31 C ATOM 259 SD MET A 16 0.692 0.137 13.979 1.00 1.22 S ATOM 260 CE MET A 16 0.034 1.627 14.773 1.00 0.33 C ATOM 0 H MET A 16 -0.596 -2.961 10.118 1.00 34.05 H new ATOM 0 HA MET A 16 -2.433 -0.927 10.958 1.00 71.20 H new ATOM 0 HB2 MET A 16 -0.582 -1.996 12.328 1.00 42.33 H new ATOM 0 HB3 MET A 16 0.583 -1.152 11.327 1.00 42.33 H new ATOM 0 HG2 MET A 16 -0.414 1.035 12.041 1.00 4.31 H new ATOM 0 HG3 MET A 16 -1.537 0.173 13.073 1.00 4.31 H new ATOM 0 HE1 MET A 16 0.628 1.861 15.656 1.00 0.33 H new ATOM 0 HE2 MET A 16 0.078 2.462 14.074 1.00 0.33 H new ATOM 0 HE3 MET A 16 -1.001 1.455 15.068 1.00 0.33 H new ATOM 270 N GLU A 17 -0.185 -0.139 8.651 1.00 51.04 N ATOM 271 CA GLU A 17 0.107 0.798 7.575 1.00 23.22 C ATOM 272 C GLU A 17 -0.978 0.804 6.514 1.00 33.43 C ATOM 273 O GLU A 17 -1.280 1.834 5.908 1.00 42.21 O ATOM 274 CB GLU A 17 1.492 0.530 6.915 1.00 1.30 C ATOM 275 CG GLU A 17 1.644 -0.808 6.144 1.00 23.42 C ATOM 276 CD GLU A 17 3.055 -1.006 5.587 1.00 70.35 C ATOM 277 OE1 GLU A 17 3.707 -2.009 5.981 1.00 32.32 O ATOM 278 OE2 GLU A 17 3.480 -0.166 4.752 1.00 0.02 O ATOM 0 H GLU A 17 0.428 -0.954 8.652 1.00 51.04 H new ATOM 0 HA GLU A 17 0.139 1.783 8.041 1.00 23.22 H new ATOM 0 HB2 GLU A 17 1.705 1.347 6.226 1.00 1.30 H new ATOM 0 HB3 GLU A 17 2.253 0.563 7.694 1.00 1.30 H new ATOM 0 HG2 GLU A 17 1.400 -1.637 6.809 1.00 23.42 H new ATOM 0 HG3 GLU A 17 0.926 -0.835 5.324 1.00 23.42 H new ATOM 285 N ALA A 18 -1.627 -0.360 6.283 1.00 21.54 N ATOM 286 CA ALA A 18 -2.767 -0.490 5.403 1.00 70.33 C ATOM 287 C ALA A 18 -3.945 0.347 5.872 1.00 51.42 C ATOM 288 O ALA A 18 -4.527 1.096 5.097 1.00 20.33 O ATOM 289 CB ALA A 18 -3.179 -1.965 5.300 1.00 50.30 C ATOM 0 H ALA A 18 -1.353 -1.240 6.720 1.00 21.54 H new ATOM 0 HA ALA A 18 -2.472 -0.120 4.421 1.00 70.33 H new ATOM 0 HB1 ALA A 18 -4.038 -2.057 4.636 1.00 50.30 H new ATOM 0 HB2 ALA A 18 -2.348 -2.548 4.902 1.00 50.30 H new ATOM 0 HB3 ALA A 18 -3.443 -2.339 6.289 1.00 50.30 H new ATOM 295 N CYS A 19 -4.259 0.319 7.180 1.00 71.04 N ATOM 296 CA CYS A 19 -5.293 1.128 7.805 1.00 31.01 C ATOM 297 C CYS A 19 -4.952 2.609 7.920 1.00 10.45 C ATOM 298 O CYS A 19 -5.757 3.394 8.407 1.00 55.23 O ATOM 299 CB CYS A 19 -5.605 0.588 9.211 1.00 43.12 C ATOM 300 SG CYS A 19 -6.346 -1.067 9.110 1.00 32.44 S ATOM 0 H CYS A 19 -3.778 -0.290 7.842 1.00 71.04 H new ATOM 0 HA CYS A 19 -6.157 1.052 7.145 1.00 31.01 H new ATOM 0 HB2 CYS A 19 -4.690 0.547 9.802 1.00 43.12 H new ATOM 0 HB3 CYS A 19 -6.286 1.267 9.724 1.00 43.12 H new ATOM 305 N LYS A 20 -3.754 3.063 7.503 1.00 74.43 N ATOM 306 CA LYS A 20 -3.547 4.483 7.278 1.00 33.22 C ATOM 307 C LYS A 20 -3.978 4.867 5.857 1.00 62.34 C ATOM 308 O LYS A 20 -4.750 5.802 5.644 1.00 52.22 O ATOM 309 CB LYS A 20 -2.056 4.815 7.567 1.00 11.51 C ATOM 310 CG LYS A 20 -1.667 6.307 7.535 1.00 4.32 C ATOM 311 CD LYS A 20 -1.309 6.913 6.168 1.00 20.03 C ATOM 312 CE LYS A 20 0.074 6.500 5.668 1.00 4.41 C ATOM 313 NZ LYS A 20 0.342 7.130 4.360 1.00 1.43 N ATOM 0 H LYS A 20 -2.941 2.474 7.322 1.00 74.43 H new ATOM 0 HA LYS A 20 -4.165 5.075 7.953 1.00 33.22 H new ATOM 0 HB2 LYS A 20 -1.801 4.417 8.549 1.00 11.51 H new ATOM 0 HB3 LYS A 20 -1.441 4.286 6.839 1.00 11.51 H new ATOM 0 HG2 LYS A 20 -2.495 6.880 7.952 1.00 4.32 H new ATOM 0 HG3 LYS A 20 -0.815 6.448 8.200 1.00 4.32 H new ATOM 0 HD2 LYS A 20 -2.058 6.610 5.436 1.00 20.03 H new ATOM 0 HD3 LYS A 20 -1.353 8.000 6.237 1.00 20.03 H new ATOM 0 HE2 LYS A 20 0.835 6.799 6.389 1.00 4.41 H new ATOM 0 HE3 LYS A 20 0.129 5.415 5.577 1.00 4.41 H new ATOM 0 HZ1 LYS A 20 1.284 6.846 4.024 1.00 1.43 H new ATOM 0 HZ2 LYS A 20 -0.377 6.824 3.674 1.00 1.43 H new ATOM 0 HZ3 LYS A 20 0.308 8.165 4.459 1.00 1.43 H new ATOM 327 N GLN A 21 -3.521 4.113 4.829 1.00 42.23 N ATOM 328 CA GLN A 21 -3.747 4.455 3.429 1.00 63.20 C ATOM 329 C GLN A 21 -5.122 4.091 2.903 1.00 43.14 C ATOM 330 O GLN A 21 -5.724 4.844 2.142 1.00 41.23 O ATOM 331 CB GLN A 21 -2.678 3.806 2.525 1.00 53.04 C ATOM 332 CG GLN A 21 -2.785 2.273 2.428 1.00 23.21 C ATOM 333 CD GLN A 21 -1.481 1.618 2.012 1.00 22.41 C ATOM 334 OE1 GLN A 21 -1.218 1.304 0.851 1.00 2.02 O ATOM 335 NE2 GLN A 21 -0.661 1.335 3.056 1.00 75.10 N ATOM 0 H GLN A 21 -2.987 3.254 4.961 1.00 42.23 H new ATOM 0 HA GLN A 21 -3.675 5.542 3.396 1.00 63.20 H new ATOM 0 HB2 GLN A 21 -2.758 4.229 1.524 1.00 53.04 H new ATOM 0 HB3 GLN A 21 -1.690 4.068 2.903 1.00 53.04 H new ATOM 0 HG2 GLN A 21 -3.095 1.873 3.393 1.00 23.21 H new ATOM 0 HG3 GLN A 21 -3.563 2.012 1.710 1.00 23.21 H new ATOM 0 HE21 GLN A 21 -0.923 1.616 4.001 1.00 75.10 H new ATOM 0 HE22 GLN A 21 0.217 0.841 2.896 1.00 75.10 H new ATOM 344 N GLU A 22 -5.667 2.936 3.357 1.00 22.50 N ATOM 345 CA GLU A 22 -6.963 2.358 2.997 1.00 34.35 C ATOM 346 C GLU A 22 -8.068 3.305 3.340 1.00 22.22 C ATOM 347 O GLU A 22 -9.063 3.446 2.635 1.00 34.31 O ATOM 348 CB GLU A 22 -7.197 1.014 3.706 1.00 23.13 C ATOM 349 CG GLU A 22 -8.482 0.280 3.259 1.00 44.30 C ATOM 350 CD GLU A 22 -8.471 -0.164 1.793 1.00 42.41 C ATOM 351 OE1 GLU A 22 -9.411 0.219 1.051 1.00 53.33 O ATOM 352 OE2 GLU A 22 -7.533 -0.916 1.419 1.00 53.20 O ATOM 0 H GLU A 22 -5.170 2.352 4.030 1.00 22.50 H new ATOM 0 HA GLU A 22 -6.956 2.181 1.921 1.00 34.35 H new ATOM 0 HB2 GLU A 22 -6.340 0.366 3.525 1.00 23.13 H new ATOM 0 HB3 GLU A 22 -7.245 1.186 4.781 1.00 23.13 H new ATOM 0 HG2 GLU A 22 -8.626 -0.596 3.892 1.00 44.30 H new ATOM 0 HG3 GLU A 22 -9.337 0.935 3.423 1.00 44.30 H new ATOM 359 N LEU A 23 -7.881 3.975 4.481 1.00 42.34 N ATOM 360 CA LEU A 23 -8.883 4.825 5.061 1.00 12.13 C ATOM 361 C LEU A 23 -8.723 6.235 4.519 1.00 1.40 C ATOM 362 O LEU A 23 -9.578 7.089 4.744 1.00 11.12 O ATOM 363 CB LEU A 23 -8.713 4.868 6.582 1.00 40.23 C ATOM 364 CG LEU A 23 -8.693 3.492 7.271 1.00 60.33 C ATOM 365 CD1 LEU A 23 -8.961 3.625 8.770 1.00 25.30 C ATOM 366 CD2 LEU A 23 -9.463 2.331 6.647 1.00 32.44 C ATOM 0 H LEU A 23 -7.016 3.931 5.020 1.00 42.34 H new ATOM 0 HA LEU A 23 -9.868 4.432 4.810 1.00 12.13 H new ATOM 0 HB2 LEU A 23 -7.784 5.388 6.815 1.00 40.23 H new ATOM 0 HB3 LEU A 23 -9.524 5.459 7.007 1.00 40.23 H new ATOM 0 HG LEU A 23 -7.669 3.166 7.087 1.00 60.33 H new ATOM 0 HD11 LEU A 23 -8.941 2.638 9.232 1.00 25.30 H new ATOM 0 HD12 LEU A 23 -8.194 4.253 9.223 1.00 25.30 H new ATOM 0 HD13 LEU A 23 -9.940 4.079 8.926 1.00 25.30 H new ATOM 0 HD21 LEU A 23 -9.340 1.440 7.262 1.00 32.44 H new ATOM 0 HD22 LEU A 23 -10.521 2.587 6.587 1.00 32.44 H new ATOM 0 HD23 LEU A 23 -9.079 2.136 5.646 1.00 32.44 H new ATOM 378 N ASN A 24 -7.603 6.486 3.790 1.00 4.34 N ATOM 379 CA ASN A 24 -7.183 7.770 3.253 1.00 5.40 C ATOM 380 C ASN A 24 -7.007 8.844 4.325 1.00 64.41 C ATOM 381 O ASN A 24 -7.455 9.980 4.194 1.00 31.31 O ATOM 382 CB ASN A 24 -8.172 8.201 2.128 1.00 62.14 C ATOM 383 CG ASN A 24 -7.659 9.315 1.210 1.00 44.24 C ATOM 384 OD1 ASN A 24 -8.331 10.320 0.973 1.00 61.14 O ATOM 385 ND2 ASN A 24 -6.446 9.107 0.631 1.00 51.31 N ATOM 0 H ASN A 24 -6.944 5.742 3.559 1.00 4.34 H new ATOM 0 HA ASN A 24 -6.188 7.651 2.823 1.00 5.40 H new ATOM 0 HB2 ASN A 24 -8.409 7.329 1.519 1.00 62.14 H new ATOM 0 HB3 ASN A 24 -9.103 8.530 2.589 1.00 62.14 H new ATOM 0 HD21 ASN A 24 -6.068 9.794 -0.021 1.00 51.31 H new ATOM 0 HD22 ASN A 24 -5.915 8.264 0.849 1.00 51.31 H new ATOM 392 N VAL A 25 -6.319 8.481 5.426 1.00 2.11 N ATOM 393 CA VAL A 25 -6.120 9.336 6.585 1.00 14.11 C ATOM 394 C VAL A 25 -4.632 9.590 6.760 1.00 21.14 C ATOM 395 O VAL A 25 -3.822 8.819 6.248 1.00 34.34 O ATOM 396 CB VAL A 25 -6.726 8.753 7.865 1.00 74.13 C ATOM 397 CG1 VAL A 25 -8.256 8.651 7.708 1.00 62.21 C ATOM 398 CG2 VAL A 25 -6.120 7.372 8.185 1.00 13.31 C ATOM 0 H VAL A 25 -5.882 7.564 5.524 1.00 2.11 H new ATOM 0 HA VAL A 25 -6.643 10.275 6.405 1.00 14.11 H new ATOM 0 HB VAL A 25 -6.493 9.416 8.698 1.00 74.13 H new ATOM 0 HG11 VAL A 25 -8.688 8.236 8.619 1.00 62.21 H new ATOM 0 HG12 VAL A 25 -8.670 9.643 7.529 1.00 62.21 H new ATOM 0 HG13 VAL A 25 -8.493 8.001 6.865 1.00 62.21 H new ATOM 0 HG21 VAL A 25 -6.568 6.981 9.099 1.00 13.31 H new ATOM 0 HG22 VAL A 25 -6.320 6.687 7.361 1.00 13.31 H new ATOM 0 HG23 VAL A 25 -5.043 7.470 8.322 1.00 13.31 H new ATOM 408 N PRO A 26 -4.188 10.657 7.419 1.00 64.21 N ATOM 409 CA PRO A 26 -2.770 10.913 7.628 1.00 32.20 C ATOM 410 C PRO A 26 -2.141 10.032 8.691 1.00 33.21 C ATOM 411 O PRO A 26 -2.815 9.402 9.506 1.00 22.30 O ATOM 412 CB PRO A 26 -2.732 12.394 8.043 1.00 12.14 C ATOM 413 CG PRO A 26 -4.075 12.618 8.733 1.00 21.13 C ATOM 414 CD PRO A 26 -5.020 11.769 7.887 1.00 34.22 C ATOM 0 HA PRO A 26 -2.191 10.690 6.732 1.00 32.20 H new ATOM 0 HB2 PRO A 26 -1.899 12.599 8.715 1.00 12.14 H new ATOM 0 HB3 PRO A 26 -2.613 13.048 7.179 1.00 12.14 H new ATOM 0 HG2 PRO A 26 -4.057 12.293 9.773 1.00 21.13 H new ATOM 0 HG3 PRO A 26 -4.362 13.669 8.733 1.00 21.13 H new ATOM 0 HD2 PRO A 26 -5.867 11.413 8.473 1.00 34.22 H new ATOM 0 HD3 PRO A 26 -5.428 12.339 7.052 1.00 34.22 H new ATOM 422 N ASP A 27 -0.790 10.040 8.710 1.00 5.20 N ATOM 423 CA ASP A 27 0.089 9.333 9.622 1.00 62.42 C ATOM 424 C ASP A 27 -0.110 9.837 11.048 1.00 25.31 C ATOM 425 O ASP A 27 0.110 9.127 12.023 1.00 62.31 O ATOM 426 CB ASP A 27 1.557 9.502 9.136 1.00 12.44 C ATOM 427 CG ASP A 27 2.546 8.618 9.896 1.00 64.52 C ATOM 428 OD1 ASP A 27 3.454 9.188 10.553 1.00 14.34 O ATOM 429 OD2 ASP A 27 2.407 7.372 9.797 1.00 74.41 O ATOM 0 H ASP A 27 -0.262 10.587 8.030 1.00 5.20 H new ATOM 0 HA ASP A 27 -0.149 8.269 9.629 1.00 62.42 H new ATOM 0 HB2 ASP A 27 1.611 9.266 8.073 1.00 12.44 H new ATOM 0 HB3 ASP A 27 1.852 10.545 9.247 1.00 12.44 H new ATOM 434 N ALA A 28 -0.573 11.094 11.174 1.00 74.42 N ATOM 435 CA ALA A 28 -0.953 11.744 12.401 1.00 13.12 C ATOM 436 C ALA A 28 -2.083 11.069 13.141 1.00 12.43 C ATOM 437 O ALA A 28 -2.173 11.161 14.364 1.00 71.52 O ATOM 438 CB ALA A 28 -1.378 13.187 12.092 1.00 20.30 C ATOM 0 H ALA A 28 -0.692 11.702 10.364 1.00 74.42 H new ATOM 0 HA ALA A 28 -0.078 11.697 13.049 1.00 13.12 H new ATOM 0 HB1 ALA A 28 -1.668 13.687 13.016 1.00 20.30 H new ATOM 0 HB2 ALA A 28 -0.545 13.722 11.636 1.00 20.30 H new ATOM 0 HB3 ALA A 28 -2.224 13.178 11.404 1.00 20.30 H new ATOM 444 N VAL A 29 -2.997 10.383 12.431 1.00 61.44 N ATOM 445 CA VAL A 29 -4.121 9.801 13.125 1.00 52.01 C ATOM 446 C VAL A 29 -3.935 8.309 13.300 1.00 31.44 C ATOM 447 O VAL A 29 -4.406 7.745 14.272 1.00 52.31 O ATOM 448 CB VAL A 29 -5.438 10.123 12.465 1.00 44.32 C ATOM 449 CG1 VAL A 29 -5.569 11.631 12.150 1.00 14.22 C ATOM 450 CG2 VAL A 29 -5.848 9.157 11.355 1.00 23.51 C ATOM 0 H VAL A 29 -2.971 10.231 11.423 1.00 61.44 H new ATOM 0 HA VAL A 29 -4.156 10.256 14.115 1.00 52.01 H new ATOM 0 HB VAL A 29 -6.217 9.929 13.203 1.00 44.32 H new ATOM 0 HG11 VAL A 29 -6.532 11.821 11.675 1.00 14.22 H new ATOM 0 HG12 VAL A 29 -5.501 12.203 13.075 1.00 14.22 H new ATOM 0 HG13 VAL A 29 -4.767 11.933 11.477 1.00 14.22 H new ATOM 0 HG21 VAL A 29 -6.807 9.467 10.939 1.00 23.51 H new ATOM 0 HG22 VAL A 29 -5.092 9.163 10.570 1.00 23.51 H new ATOM 0 HG23 VAL A 29 -5.938 8.150 11.764 1.00 23.51 H new ATOM 460 N MET A 30 -3.176 7.594 12.445 1.00 14.01 N ATOM 461 CA MET A 30 -2.861 6.188 12.724 1.00 22.54 C ATOM 462 C MET A 30 -2.005 6.053 13.971 1.00 11.24 C ATOM 463 O MET A 30 -2.088 5.063 14.698 1.00 62.51 O ATOM 464 CB MET A 30 -2.163 5.483 11.529 1.00 74.13 C ATOM 465 CG MET A 30 -0.704 5.913 11.277 1.00 20.22 C ATOM 466 SD MET A 30 0.577 4.889 12.076 1.00 3.50 S ATOM 467 CE MET A 30 0.508 3.540 10.862 1.00 14.43 C ATOM 0 H MET A 30 -2.781 7.959 11.579 1.00 14.01 H new ATOM 0 HA MET A 30 -3.817 5.691 12.890 1.00 22.54 H new ATOM 0 HB2 MET A 30 -2.184 4.407 11.700 1.00 74.13 H new ATOM 0 HB3 MET A 30 -2.743 5.674 10.626 1.00 74.13 H new ATOM 0 HG2 MET A 30 -0.525 5.911 10.202 1.00 20.22 H new ATOM 0 HG3 MET A 30 -0.585 6.941 11.618 1.00 20.22 H new ATOM 0 HE1 MET A 30 1.283 2.808 11.087 1.00 14.43 H new ATOM 0 HE2 MET A 30 -0.469 3.059 10.907 1.00 14.43 H new ATOM 0 HE3 MET A 30 0.669 3.942 9.862 1.00 14.43 H new ATOM 477 N GLN A 31 -1.193 7.099 14.283 1.00 11.01 N ATOM 478 CA GLN A 31 -0.376 7.117 15.467 1.00 4.42 C ATOM 479 C GLN A 31 -1.163 7.353 16.726 1.00 43.24 C ATOM 480 O GLN A 31 -0.734 7.031 17.833 1.00 53.31 O ATOM 481 CB GLN A 31 0.829 8.085 15.313 1.00 40.01 C ATOM 482 CG GLN A 31 0.604 9.602 15.164 1.00 23.23 C ATOM 483 CD GLN A 31 0.452 10.343 16.484 1.00 12.20 C ATOM 484 OE1 GLN A 31 1.407 10.535 17.238 1.00 24.53 O ATOM 485 NE2 GLN A 31 -0.802 10.786 16.749 1.00 13.25 N ATOM 0 H GLN A 31 -1.106 7.936 13.706 1.00 11.01 H new ATOM 0 HA GLN A 31 0.036 6.114 15.578 1.00 4.42 H new ATOM 0 HB2 GLN A 31 1.471 7.940 16.182 1.00 40.01 H new ATOM 0 HB3 GLN A 31 1.395 7.757 14.441 1.00 40.01 H new ATOM 0 HG2 GLN A 31 1.442 10.030 14.615 1.00 23.23 H new ATOM 0 HG3 GLN A 31 -0.289 9.768 14.562 1.00 23.23 H new ATOM 0 HE21 GLN A 31 -1.558 10.600 16.090 1.00 13.25 H new ATOM 0 HE22 GLN A 31 -0.989 11.305 17.607 1.00 13.25 H new ATOM 494 N ASP A 32 -2.392 7.889 16.578 1.00 64.44 N ATOM 495 CA ASP A 32 -3.208 8.240 17.709 1.00 51.50 C ATOM 496 C ASP A 32 -3.753 6.989 18.395 1.00 3.41 C ATOM 497 O ASP A 32 -3.943 6.956 19.605 1.00 72.11 O ATOM 498 CB ASP A 32 -4.348 9.230 17.297 1.00 14.14 C ATOM 499 CG ASP A 32 -5.603 8.821 16.522 1.00 63.21 C ATOM 500 OD1 ASP A 32 -5.941 7.618 16.480 1.00 73.10 O ATOM 501 OD2 ASP A 32 -6.273 9.768 16.017 1.00 20.04 O ATOM 0 H ASP A 32 -2.823 8.080 15.674 1.00 64.44 H new ATOM 0 HA ASP A 32 -2.582 8.760 18.434 1.00 51.50 H new ATOM 0 HB2 ASP A 32 -4.698 9.691 18.221 1.00 14.14 H new ATOM 0 HB3 ASP A 32 -3.871 10.015 16.710 1.00 14.14 H new ATOM 506 N PHE A 33 -3.964 5.912 17.610 1.00 62.43 N ATOM 507 CA PHE A 33 -4.334 4.596 18.109 1.00 23.22 C ATOM 508 C PHE A 33 -3.290 3.958 18.990 1.00 51.42 C ATOM 509 O PHE A 33 -3.612 3.433 20.049 1.00 74.22 O ATOM 510 CB PHE A 33 -4.782 3.690 16.925 1.00 23.41 C ATOM 511 CG PHE A 33 -4.857 2.198 17.182 1.00 74.22 C ATOM 512 CD1 PHE A 33 -4.095 1.339 16.368 1.00 4.44 C ATOM 513 CD2 PHE A 33 -5.560 1.646 18.264 1.00 1.11 C ATOM 514 CE1 PHE A 33 -4.079 -0.042 16.593 1.00 3.15 C ATOM 515 CE2 PHE A 33 -5.567 0.261 18.480 1.00 5.44 C ATOM 516 CZ PHE A 33 -4.828 -0.585 17.644 1.00 10.24 C ATOM 0 H PHE A 33 -3.877 5.946 16.594 1.00 62.43 H new ATOM 0 HA PHE A 33 -5.184 4.726 18.779 1.00 23.22 H new ATOM 0 HB2 PHE A 33 -5.766 4.026 16.597 1.00 23.41 H new ATOM 0 HB3 PHE A 33 -4.095 3.855 16.095 1.00 23.41 H new ATOM 0 HD1 PHE A 33 -3.514 1.752 15.557 1.00 4.44 H new ATOM 0 HD2 PHE A 33 -6.101 2.295 18.937 1.00 1.11 H new ATOM 0 HE1 PHE A 33 -3.490 -0.687 15.958 1.00 3.15 H new ATOM 0 HE2 PHE A 33 -6.144 -0.155 19.293 1.00 5.44 H new ATOM 0 HZ PHE A 33 -4.836 -1.652 17.809 1.00 10.24 H new ATOM 526 N PHE A 34 -2.004 3.982 18.615 1.00 41.34 N ATOM 527 CA PHE A 34 -1.008 3.426 19.510 1.00 21.11 C ATOM 528 C PHE A 34 -0.737 4.240 20.754 1.00 51.12 C ATOM 529 O PHE A 34 -0.532 3.706 21.843 1.00 14.44 O ATOM 530 CB PHE A 34 0.300 3.099 18.780 1.00 73.34 C ATOM 531 CG PHE A 34 1.182 4.173 18.232 1.00 3.34 C ATOM 532 CD1 PHE A 34 2.187 4.699 19.055 1.00 12.00 C ATOM 533 CD2 PHE A 34 1.190 4.462 16.861 1.00 52.24 C ATOM 534 CE1 PHE A 34 3.219 5.476 18.515 1.00 75.01 C ATOM 535 CE2 PHE A 34 2.260 5.183 16.307 1.00 1.44 C ATOM 536 CZ PHE A 34 3.267 5.699 17.133 1.00 34.44 C ATOM 0 H PHE A 34 -1.650 4.364 17.738 1.00 41.34 H new ATOM 0 HA PHE A 34 -1.460 2.499 19.863 1.00 21.11 H new ATOM 0 HB2 PHE A 34 0.908 2.512 19.468 1.00 73.34 H new ATOM 0 HB3 PHE A 34 0.042 2.446 17.946 1.00 73.34 H new ATOM 0 HD1 PHE A 34 2.165 4.503 20.117 1.00 12.00 H new ATOM 0 HD2 PHE A 34 0.376 4.131 16.233 1.00 52.24 H new ATOM 0 HE1 PHE A 34 3.974 5.901 19.160 1.00 75.01 H new ATOM 0 HE2 PHE A 34 2.307 5.340 15.240 1.00 1.44 H new ATOM 0 HZ PHE A 34 4.079 6.268 16.705 1.00 34.44 H new ATOM 546 N ASN A 35 -0.819 5.571 20.609 1.00 22.42 N ATOM 547 CA ASN A 35 -0.750 6.533 21.687 1.00 65.13 C ATOM 548 C ASN A 35 -1.910 6.461 22.671 1.00 10.13 C ATOM 549 O ASN A 35 -1.803 6.950 23.790 1.00 31.25 O ATOM 550 CB ASN A 35 -0.638 7.953 21.107 1.00 3.23 C ATOM 551 CG ASN A 35 0.764 8.195 20.552 1.00 23.34 C ATOM 552 OD1 ASN A 35 1.748 7.548 20.916 1.00 52.13 O ATOM 553 ND2 ASN A 35 0.858 9.214 19.664 1.00 42.03 N ATOM 0 H ASN A 35 -0.940 6.010 19.696 1.00 22.42 H new ATOM 0 HA ASN A 35 0.140 6.278 22.262 1.00 65.13 H new ATOM 0 HB2 ASN A 35 -1.377 8.089 20.317 1.00 3.23 H new ATOM 0 HB3 ASN A 35 -0.861 8.687 21.881 1.00 3.23 H new ATOM 0 HD21 ASN A 35 1.765 9.468 19.273 1.00 42.03 H new ATOM 0 HD22 ASN A 35 0.021 9.727 19.386 1.00 42.03 H new ATOM 560 N PHE A 36 -3.029 5.809 22.293 1.00 21.43 N ATOM 561 CA PHE A 36 -4.216 5.573 23.099 1.00 53.54 C ATOM 562 C PHE A 36 -3.870 4.809 24.366 1.00 71.42 C ATOM 563 O PHE A 36 -4.384 5.089 25.445 1.00 2.44 O ATOM 564 CB PHE A 36 -5.241 4.779 22.238 1.00 63.20 C ATOM 565 CG PHE A 36 -6.589 4.585 22.862 1.00 24.43 C ATOM 566 CD1 PHE A 36 -6.806 3.592 23.827 1.00 50.44 C ATOM 567 CD2 PHE A 36 -7.679 5.345 22.414 1.00 3.31 C ATOM 568 CE1 PHE A 36 -8.077 3.380 24.366 1.00 65.22 C ATOM 569 CE2 PHE A 36 -8.949 5.155 22.964 1.00 44.32 C ATOM 570 CZ PHE A 36 -9.145 4.165 23.929 1.00 24.12 C ATOM 0 H PHE A 36 -3.120 5.414 21.357 1.00 21.43 H new ATOM 0 HA PHE A 36 -4.648 6.526 23.405 1.00 53.54 H new ATOM 0 HB2 PHE A 36 -5.370 5.297 21.288 1.00 63.20 H new ATOM 0 HB3 PHE A 36 -4.819 3.800 22.012 1.00 63.20 H new ATOM 0 HD1 PHE A 36 -5.979 2.982 24.159 1.00 50.44 H new ATOM 0 HD2 PHE A 36 -7.536 6.083 21.638 1.00 3.31 H new ATOM 0 HE1 PHE A 36 -8.232 2.616 25.114 1.00 65.22 H new ATOM 0 HE2 PHE A 36 -9.776 5.771 22.644 1.00 44.32 H new ATOM 0 HZ PHE A 36 -10.131 4.005 24.340 1.00 24.12 H new ATOM 580 N TRP A 37 -2.988 3.796 24.239 1.00 70.15 N ATOM 581 CA TRP A 37 -2.682 2.859 25.297 1.00 52.12 C ATOM 582 C TRP A 37 -1.666 3.437 26.273 1.00 61.22 C ATOM 583 O TRP A 37 -1.413 2.856 27.327 1.00 31.40 O ATOM 584 CB TRP A 37 -2.145 1.544 24.682 1.00 54.03 C ATOM 585 CG TRP A 37 -3.092 0.958 23.643 1.00 24.21 C ATOM 586 CD1 TRP A 37 -2.832 0.846 22.306 1.00 54.35 C ATOM 587 CD2 TRP A 37 -4.487 0.623 23.813 1.00 22.14 C ATOM 588 NE1 TRP A 37 -3.950 0.414 21.631 1.00 1.40 N ATOM 589 CE2 TRP A 37 -4.982 0.287 22.533 1.00 24.22 C ATOM 590 CE3 TRP A 37 -5.322 0.598 24.933 1.00 30.35 C ATOM 591 CZ2 TRP A 37 -6.310 -0.072 22.356 1.00 34.15 C ATOM 592 CZ3 TRP A 37 -6.669 0.250 24.743 1.00 54.12 C ATOM 593 CH2 TRP A 37 -7.161 -0.066 23.469 1.00 72.53 C ATOM 0 H TRP A 37 -2.470 3.618 23.379 1.00 70.15 H new ATOM 0 HA TRP A 37 -3.597 2.656 25.853 1.00 52.12 H new ATOM 0 HB2 TRP A 37 -1.175 1.732 24.221 1.00 54.03 H new ATOM 0 HB3 TRP A 37 -1.985 0.814 25.476 1.00 54.03 H new ATOM 0 HD1 TRP A 37 -1.881 1.066 21.844 1.00 54.35 H new ATOM 0 HE1 TRP A 37 -4.005 0.220 20.631 1.00 1.40 H new ATOM 0 HE3 TRP A 37 -4.943 0.839 25.915 1.00 30.35 H new ATOM 0 HZ2 TRP A 37 -6.680 -0.350 21.380 1.00 34.15 H new ATOM 0 HZ3 TRP A 37 -7.336 0.225 25.592 1.00 54.12 H new ATOM 0 HH2 TRP A 37 -8.206 -0.307 23.344 1.00 72.53 H new ATOM 604 N LYS A 38 -1.064 4.610 25.946 1.00 62.44 N ATOM 605 CA LYS A 38 -0.179 5.344 26.842 1.00 11.10 C ATOM 606 C LYS A 38 -0.924 5.842 28.079 1.00 21.20 C ATOM 607 O LYS A 38 -1.988 6.454 27.986 1.00 50.42 O ATOM 608 CB LYS A 38 0.458 6.573 26.135 1.00 31.13 C ATOM 609 CG LYS A 38 1.497 7.371 26.953 1.00 60.24 C ATOM 610 CD LYS A 38 2.781 6.596 27.318 1.00 63.43 C ATOM 611 CE LYS A 38 3.683 6.211 26.139 1.00 24.02 C ATOM 612 NZ LYS A 38 4.271 7.416 25.522 1.00 21.02 N ATOM 0 H LYS A 38 -1.191 5.063 25.041 1.00 62.44 H new ATOM 0 HA LYS A 38 0.603 4.644 27.138 1.00 11.10 H new ATOM 0 HB2 LYS A 38 0.936 6.230 25.217 1.00 31.13 H new ATOM 0 HB3 LYS A 38 -0.343 7.253 25.843 1.00 31.13 H new ATOM 0 HG2 LYS A 38 1.777 8.260 26.387 1.00 60.24 H new ATOM 0 HG3 LYS A 38 1.025 7.715 27.873 1.00 60.24 H new ATOM 0 HD2 LYS A 38 3.362 7.200 28.014 1.00 63.43 H new ATOM 0 HD3 LYS A 38 2.496 5.686 27.846 1.00 63.43 H new ATOM 0 HE2 LYS A 38 4.476 5.547 26.482 1.00 24.02 H new ATOM 0 HE3 LYS A 38 3.106 5.660 25.397 1.00 24.02 H new ATOM 0 HZ1 LYS A 38 4.931 7.134 24.770 1.00 21.02 H new ATOM 0 HZ2 LYS A 38 3.514 8.003 25.117 1.00 21.02 H new ATOM 0 HZ3 LYS A 38 4.783 7.962 26.245 1.00 21.02 H new ATOM 626 N GLU A 39 -0.383 5.618 29.300 1.00 13.40 N ATOM 627 CA GLU A 39 -1.031 6.102 30.502 1.00 60.20 C ATOM 628 C GLU A 39 -0.998 7.618 30.622 1.00 70.31 C ATOM 629 O GLU A 39 0.008 8.277 30.364 1.00 30.10 O ATOM 630 CB GLU A 39 -0.456 5.452 31.794 1.00 13.42 C ATOM 631 CG GLU A 39 1.041 5.717 32.127 1.00 64.02 C ATOM 632 CD GLU A 39 2.012 4.711 31.500 1.00 53.21 C ATOM 633 OE1 GLU A 39 2.035 4.609 30.245 1.00 33.52 O ATOM 634 OE2 GLU A 39 2.737 4.040 32.279 1.00 53.33 O ATOM 0 H GLU A 39 0.488 5.111 29.459 1.00 13.40 H new ATOM 0 HA GLU A 39 -2.073 5.798 30.403 1.00 60.20 H new ATOM 0 HB2 GLU A 39 -1.054 5.795 32.638 1.00 13.42 H new ATOM 0 HB3 GLU A 39 -0.598 4.374 31.720 1.00 13.42 H new ATOM 0 HG2 GLU A 39 1.305 6.719 31.789 1.00 64.02 H new ATOM 0 HG3 GLU A 39 1.169 5.702 33.209 1.00 64.02 H new ATOM 641 N GLY A 40 -2.154 8.209 31.000 1.00 74.41 N ATOM 642 CA GLY A 40 -2.326 9.651 31.070 1.00 14.23 C ATOM 643 C GLY A 40 -2.829 10.247 29.781 1.00 2.20 C ATOM 644 O GLY A 40 -3.248 11.401 29.763 1.00 60.23 O ATOM 0 H GLY A 40 -2.988 7.684 31.263 1.00 74.41 H new ATOM 0 HA2 GLY A 40 -3.025 9.889 31.871 1.00 14.23 H new ATOM 0 HA3 GLY A 40 -1.374 10.113 31.330 1.00 14.23 H new ATOM 648 N TYR A 41 -2.814 9.488 28.661 1.00 22.33 N ATOM 649 CA TYR A 41 -3.259 9.998 27.378 1.00 40.14 C ATOM 650 C TYR A 41 -4.741 9.806 27.172 1.00 52.23 C ATOM 651 O TYR A 41 -5.309 8.746 27.424 1.00 15.35 O ATOM 652 CB TYR A 41 -2.490 9.385 26.176 1.00 61.33 C ATOM 653 CG TYR A 41 -1.108 9.972 25.942 1.00 33.40 C ATOM 654 CD1 TYR A 41 -0.613 9.911 24.628 1.00 31.23 C ATOM 655 CD2 TYR A 41 -0.297 10.573 26.928 1.00 53.04 C ATOM 656 CE1 TYR A 41 0.644 10.428 24.295 1.00 74.02 C ATOM 657 CE2 TYR A 41 0.967 11.088 26.600 1.00 31.23 C ATOM 658 CZ TYR A 41 1.437 11.015 25.285 1.00 75.21 C ATOM 659 OH TYR A 41 2.712 11.526 24.966 1.00 52.11 O ATOM 0 H TYR A 41 -2.495 8.520 28.638 1.00 22.33 H new ATOM 0 HA TYR A 41 -3.039 11.065 27.410 1.00 40.14 H new ATOM 0 HB2 TYR A 41 -2.392 8.311 26.334 1.00 61.33 H new ATOM 0 HB3 TYR A 41 -3.086 9.521 25.273 1.00 61.33 H new ATOM 0 HD1 TYR A 41 -1.217 9.455 23.858 1.00 31.23 H new ATOM 0 HD2 TYR A 41 -0.653 10.637 27.946 1.00 53.04 H new ATOM 0 HE1 TYR A 41 1.000 10.374 23.277 1.00 74.02 H new ATOM 0 HE2 TYR A 41 1.578 11.542 27.366 1.00 31.23 H new ATOM 0 HH TYR A 41 3.126 11.899 25.772 1.00 52.11 H new ATOM 669 N GLN A 42 -5.411 10.871 26.678 1.00 33.13 N ATOM 670 CA GLN A 42 -6.758 10.782 26.201 1.00 54.30 C ATOM 671 C GLN A 42 -6.772 11.058 24.710 1.00 52.11 C ATOM 672 O GLN A 42 -6.372 12.110 24.215 1.00 14.04 O ATOM 673 CB GLN A 42 -7.740 11.698 26.983 1.00 40.35 C ATOM 674 CG GLN A 42 -7.445 13.213 26.987 1.00 64.13 C ATOM 675 CD GLN A 42 -6.562 13.778 28.115 1.00 14.25 C ATOM 676 OE1 GLN A 42 -6.483 15.000 28.262 1.00 34.53 O ATOM 677 NE2 GLN A 42 -5.894 12.915 28.919 1.00 14.53 N ATOM 0 H GLN A 42 -5.009 11.806 26.610 1.00 33.13 H new ATOM 0 HA GLN A 42 -7.122 9.770 26.379 1.00 54.30 H new ATOM 0 HB2 GLN A 42 -8.739 11.550 26.572 1.00 40.35 H new ATOM 0 HB3 GLN A 42 -7.767 11.357 28.018 1.00 40.35 H new ATOM 0 HG2 GLN A 42 -6.973 13.463 26.037 1.00 64.13 H new ATOM 0 HG3 GLN A 42 -8.400 13.738 27.016 1.00 64.13 H new ATOM 0 HE21 GLN A 42 -5.980 11.909 28.771 1.00 14.53 H new ATOM 0 HE22 GLN A 42 -5.305 13.271 29.672 1.00 14.53 H new ATOM 686 N ILE A 43 -7.243 10.058 23.949 1.00 71.20 N ATOM 687 CA ILE A 43 -7.495 10.143 22.527 1.00 41.13 C ATOM 688 C ILE A 43 -8.989 10.307 22.328 1.00 51.11 C ATOM 689 O ILE A 43 -9.793 9.508 22.805 1.00 11.43 O ATOM 690 CB ILE A 43 -7.014 8.896 21.830 1.00 74.21 C ATOM 691 CG1 ILE A 43 -5.502 8.667 22.041 1.00 3.50 C ATOM 692 CG2 ILE A 43 -7.377 8.890 20.327 1.00 24.23 C ATOM 693 CD1 ILE A 43 -4.545 9.689 21.416 1.00 74.15 C ATOM 0 H ILE A 43 -7.463 9.140 24.334 1.00 71.20 H new ATOM 0 HA ILE A 43 -6.958 10.991 22.102 1.00 41.13 H new ATOM 0 HB ILE A 43 -7.541 8.061 22.292 1.00 74.21 H new ATOM 0 HG12 ILE A 43 -5.311 8.637 23.114 1.00 3.50 H new ATOM 0 HG13 ILE A 43 -5.251 7.683 21.645 1.00 3.50 H new ATOM 0 HG21 ILE A 43 -7.010 7.972 19.868 1.00 24.23 H new ATOM 0 HG22 ILE A 43 -8.460 8.944 20.214 1.00 24.23 H new ATOM 0 HG23 ILE A 43 -6.918 9.749 19.838 1.00 24.23 H new ATOM 0 HD11 ILE A 43 -3.516 9.409 21.641 1.00 74.15 H new ATOM 0 HD12 ILE A 43 -4.688 9.708 20.336 1.00 74.15 H new ATOM 0 HD13 ILE A 43 -4.750 10.678 21.827 1.00 74.15 H new ATOM 705 N THR A 44 -9.387 11.386 21.629 1.00 73.04 N ATOM 706 CA THR A 44 -10.778 11.803 21.474 1.00 34.02 C ATOM 707 C THR A 44 -11.142 11.980 20.014 1.00 45.25 C ATOM 708 O THR A 44 -12.233 12.438 19.682 1.00 72.35 O ATOM 709 CB THR A 44 -11.090 13.086 22.245 1.00 41.43 C ATOM 710 OG1 THR A 44 -10.269 14.176 21.836 1.00 74.43 O ATOM 711 CG2 THR A 44 -10.865 12.860 23.754 1.00 64.20 C ATOM 0 H THR A 44 -8.730 12.001 21.149 1.00 73.04 H new ATOM 0 HA THR A 44 -11.385 11.002 21.896 1.00 34.02 H new ATOM 0 HB THR A 44 -12.130 13.334 22.035 1.00 41.43 H new ATOM 0 HG1 THR A 44 -10.504 14.975 22.353 1.00 74.43 H new ATOM 0 HG21 THR A 44 -11.089 13.778 24.297 1.00 64.20 H new ATOM 0 HG22 THR A 44 -11.520 12.062 24.104 1.00 64.20 H new ATOM 0 HG23 THR A 44 -9.826 12.579 23.929 1.00 64.20 H new ATOM 719 N ASN A 45 -10.215 11.636 19.095 1.00 74.34 N ATOM 720 CA ASN A 45 -10.288 11.980 17.696 1.00 15.11 C ATOM 721 C ASN A 45 -11.076 10.957 16.904 1.00 2.23 C ATOM 722 O ASN A 45 -10.856 9.757 17.014 1.00 64.24 O ATOM 723 CB ASN A 45 -8.851 12.151 17.140 1.00 44.41 C ATOM 724 CG ASN A 45 -8.860 12.762 15.740 1.00 63.52 C ATOM 725 OD1 ASN A 45 -9.705 13.597 15.408 1.00 41.52 O ATOM 726 ND2 ASN A 45 -7.908 12.309 14.891 1.00 14.22 N ATOM 0 H ASN A 45 -9.382 11.098 19.332 1.00 74.34 H new ATOM 0 HA ASN A 45 -10.825 12.923 17.592 1.00 15.11 H new ATOM 0 HB2 ASN A 45 -8.273 12.786 17.811 1.00 44.41 H new ATOM 0 HB3 ASN A 45 -8.353 11.182 17.112 1.00 44.41 H new ATOM 0 HD21 ASN A 45 -7.870 12.659 13.934 1.00 14.22 H new ATOM 0 HD22 ASN A 45 -7.229 11.618 15.209 1.00 14.22 H new ATOM 733 N ARG A 46 -11.984 11.434 16.028 1.00 63.01 N ATOM 734 CA ARG A 46 -12.938 10.652 15.260 1.00 30.13 C ATOM 735 C ARG A 46 -12.286 9.631 14.341 1.00 13.32 C ATOM 736 O ARG A 46 -12.788 8.526 14.154 1.00 13.43 O ATOM 737 CB ARG A 46 -13.835 11.625 14.452 1.00 11.33 C ATOM 738 CG ARG A 46 -13.090 12.440 13.376 1.00 13.41 C ATOM 739 CD ARG A 46 -13.932 13.598 12.828 1.00 2.33 C ATOM 740 NE ARG A 46 -13.196 14.263 11.698 1.00 13.23 N ATOM 741 CZ ARG A 46 -12.195 15.178 11.884 1.00 3.35 C ATOM 742 NH1 ARG A 46 -11.787 15.524 13.137 1.00 3.14 N ATOM 743 NH2 ARG A 46 -11.603 15.741 10.791 1.00 31.40 N ATOM 0 H ARG A 46 -12.065 12.433 15.837 1.00 63.01 H new ATOM 0 HA ARG A 46 -13.535 10.070 15.963 1.00 30.13 H new ATOM 0 HB2 ARG A 46 -14.628 11.053 13.971 1.00 11.33 H new ATOM 0 HB3 ARG A 46 -14.315 12.316 15.145 1.00 11.33 H new ATOM 0 HG2 ARG A 46 -12.166 12.835 13.799 1.00 13.41 H new ATOM 0 HG3 ARG A 46 -12.808 11.780 12.556 1.00 13.41 H new ATOM 0 HD2 ARG A 46 -14.896 13.228 12.480 1.00 2.33 H new ATOM 0 HD3 ARG A 46 -14.135 14.320 13.619 1.00 2.33 H new ATOM 0 HE ARG A 46 -13.456 14.019 10.742 1.00 13.23 H new ATOM 0 HH11 ARG A 46 -12.229 15.100 13.953 1.00 3.14 H new ATOM 0 HH12 ARG A 46 -11.040 16.207 13.260 1.00 3.14 H new ATOM 0 HH21 ARG A 46 -11.908 15.478 9.854 1.00 31.40 H new ATOM 0 HH22 ARG A 46 -10.856 16.425 10.911 1.00 31.40 H new ATOM 757 N GLU A 47 -11.090 9.960 13.813 1.00 45.00 N ATOM 758 CA GLU A 47 -10.213 9.059 13.108 1.00 2.41 C ATOM 759 C GLU A 47 -9.674 7.907 13.889 1.00 70.25 C ATOM 760 O GLU A 47 -9.420 6.856 13.307 1.00 44.34 O ATOM 761 CB GLU A 47 -9.034 9.814 12.480 1.00 1.53 C ATOM 762 CG GLU A 47 -9.414 10.484 11.148 1.00 23.22 C ATOM 763 CD GLU A 47 -8.614 11.721 10.762 1.00 72.05 C ATOM 764 OE1 GLU A 47 -8.054 11.734 9.635 1.00 51.14 O ATOM 765 OE2 GLU A 47 -8.571 12.672 11.588 1.00 71.22 O ATOM 0 H GLU A 47 -10.711 10.905 13.880 1.00 45.00 H new ATOM 0 HA GLU A 47 -10.867 8.626 12.351 1.00 2.41 H new ATOM 0 HB2 GLU A 47 -8.678 10.572 13.177 1.00 1.53 H new ATOM 0 HB3 GLU A 47 -8.209 9.121 12.314 1.00 1.53 H new ATOM 0 HG2 GLU A 47 -9.309 9.747 10.352 1.00 23.22 H new ATOM 0 HG3 GLU A 47 -10.468 10.758 11.192 1.00 23.22 H new ATOM 772 N ALA A 48 -9.485 8.058 15.213 1.00 72.25 N ATOM 773 CA ALA A 48 -8.948 6.985 16.036 1.00 73.22 C ATOM 774 C ALA A 48 -9.814 5.747 15.961 1.00 35.43 C ATOM 775 O ALA A 48 -9.330 4.648 15.735 1.00 24.13 O ATOM 776 CB ALA A 48 -8.789 7.425 17.516 1.00 33.42 C ATOM 0 H ALA A 48 -9.699 8.914 15.724 1.00 72.25 H new ATOM 0 HA ALA A 48 -7.961 6.747 15.638 1.00 73.22 H new ATOM 0 HB1 ALA A 48 -8.386 6.598 18.100 1.00 33.42 H new ATOM 0 HB2 ALA A 48 -8.108 8.275 17.572 1.00 33.42 H new ATOM 0 HB3 ALA A 48 -9.761 7.712 17.917 1.00 33.42 H new ATOM 782 N GLY A 49 -11.147 5.908 16.012 1.00 44.32 N ATOM 783 CA GLY A 49 -12.082 4.805 15.861 1.00 72.13 C ATOM 784 C GLY A 49 -12.017 4.169 14.517 1.00 25.10 C ATOM 785 O GLY A 49 -12.106 2.950 14.417 1.00 12.55 O ATOM 0 H GLY A 49 -11.597 6.812 16.160 1.00 44.32 H new ATOM 0 HA2 GLY A 49 -11.875 4.054 16.623 1.00 72.13 H new ATOM 0 HA3 GLY A 49 -13.095 5.167 16.037 1.00 72.13 H new ATOM 789 N CYS A 50 -11.850 4.994 13.453 1.00 22.32 N ATOM 790 CA CYS A 50 -11.797 4.550 12.077 1.00 73.33 C ATOM 791 C CYS A 50 -10.596 3.658 11.841 1.00 52.04 C ATOM 792 O CYS A 50 -10.707 2.633 11.174 1.00 24.41 O ATOM 793 CB CYS A 50 -11.742 5.742 11.083 1.00 74.34 C ATOM 794 SG CYS A 50 -13.237 6.794 11.041 1.00 74.32 S ATOM 0 H CYS A 50 -11.748 6.004 13.552 1.00 22.32 H new ATOM 0 HA CYS A 50 -12.714 3.988 11.897 1.00 73.33 H new ATOM 0 HB2 CYS A 50 -10.885 6.366 11.337 1.00 74.34 H new ATOM 0 HB3 CYS A 50 -11.565 5.350 10.081 1.00 74.34 H new ATOM 799 N VAL A 51 -9.412 4.005 12.409 1.00 44.14 N ATOM 800 CA VAL A 51 -8.264 3.108 12.364 1.00 73.25 C ATOM 801 C VAL A 51 -8.479 1.876 13.203 1.00 70.14 C ATOM 802 O VAL A 51 -8.229 0.770 12.747 1.00 14.32 O ATOM 803 CB VAL A 51 -6.912 3.801 12.642 1.00 41.13 C ATOM 804 CG1 VAL A 51 -6.843 4.665 13.916 1.00 74.02 C ATOM 805 CG2 VAL A 51 -5.797 2.745 12.824 1.00 33.53 C ATOM 0 H VAL A 51 -9.244 4.888 12.892 1.00 44.14 H new ATOM 0 HA VAL A 51 -8.190 2.776 11.328 1.00 73.25 H new ATOM 0 HB VAL A 51 -6.788 4.449 11.774 1.00 41.13 H new ATOM 0 HG11 VAL A 51 -5.848 5.100 14.007 1.00 74.02 H new ATOM 0 HG12 VAL A 51 -7.584 5.462 13.855 1.00 74.02 H new ATOM 0 HG13 VAL A 51 -7.049 4.044 14.788 1.00 74.02 H new ATOM 0 HG21 VAL A 51 -4.849 3.247 13.019 1.00 33.53 H new ATOM 0 HG22 VAL A 51 -6.044 2.096 13.664 1.00 33.53 H new ATOM 0 HG23 VAL A 51 -5.711 2.147 11.917 1.00 33.53 H new ATOM 815 N ILE A 52 -9.044 2.008 14.415 1.00 64.01 N ATOM 816 CA ILE A 52 -9.193 0.907 15.363 1.00 53.02 C ATOM 817 C ILE A 52 -10.034 -0.228 14.805 1.00 10.21 C ATOM 818 O ILE A 52 -9.659 -1.399 14.876 1.00 41.32 O ATOM 819 CB ILE A 52 -9.774 1.426 16.681 1.00 13.43 C ATOM 820 CG1 ILE A 52 -8.730 2.285 17.423 1.00 71.42 C ATOM 821 CG2 ILE A 52 -10.298 0.261 17.547 1.00 72.34 C ATOM 822 CD1 ILE A 52 -9.200 3.318 18.471 1.00 51.14 C ATOM 0 H ILE A 52 -9.412 2.894 14.761 1.00 64.01 H new ATOM 0 HA ILE A 52 -8.201 0.495 15.549 1.00 53.02 H new ATOM 0 HB ILE A 52 -10.629 2.066 16.465 1.00 13.43 H new ATOM 0 HG12 ILE A 52 -8.042 1.603 17.923 1.00 71.42 H new ATOM 0 HG13 ILE A 52 -8.155 2.823 16.669 1.00 71.42 H new ATOM 0 HG21 ILE A 52 -10.706 0.655 18.478 1.00 72.34 H new ATOM 0 HG22 ILE A 52 -11.079 -0.272 17.005 1.00 72.34 H new ATOM 0 HG23 ILE A 52 -9.479 -0.423 17.770 1.00 72.34 H new ATOM 0 HD11 ILE A 52 -8.334 3.830 18.891 1.00 51.14 H new ATOM 0 HD12 ILE A 52 -9.856 4.046 17.995 1.00 51.14 H new ATOM 0 HD13 ILE A 52 -9.742 2.808 19.267 1.00 51.14 H new ATOM 834 N LEU A 53 -11.180 0.108 14.187 1.00 53.05 N ATOM 835 CA LEU A 53 -12.076 -0.853 13.587 1.00 3.22 C ATOM 836 C LEU A 53 -11.530 -1.556 12.361 1.00 52.21 C ATOM 837 O LEU A 53 -11.866 -2.701 12.066 1.00 61.32 O ATOM 838 CB LEU A 53 -13.446 -0.169 13.357 1.00 54.22 C ATOM 839 CG LEU A 53 -13.558 0.999 12.349 1.00 51.40 C ATOM 840 CD1 LEU A 53 -13.376 0.597 10.881 1.00 72.13 C ATOM 841 CD2 LEU A 53 -14.921 1.689 12.533 1.00 60.15 C ATOM 0 H LEU A 53 -11.500 1.072 14.098 1.00 53.05 H new ATOM 0 HA LEU A 53 -12.200 -1.681 14.285 1.00 3.22 H new ATOM 0 HB2 LEU A 53 -14.147 -0.941 13.040 1.00 54.22 H new ATOM 0 HB3 LEU A 53 -13.793 0.199 14.323 1.00 54.22 H new ATOM 0 HG LEU A 53 -12.732 1.675 12.571 1.00 51.40 H new ATOM 0 HD11 LEU A 53 -13.471 1.479 10.248 1.00 72.13 H new ATOM 0 HD12 LEU A 53 -12.388 0.156 10.744 1.00 72.13 H new ATOM 0 HD13 LEU A 53 -14.139 -0.131 10.606 1.00 72.13 H new ATOM 0 HD21 LEU A 53 -15.009 2.514 11.826 1.00 60.15 H new ATOM 0 HD22 LEU A 53 -15.720 0.970 12.353 1.00 60.15 H new ATOM 0 HD23 LEU A 53 -15.000 2.072 13.550 1.00 60.15 H new ATOM 853 N CYS A 54 -10.635 -0.867 11.638 1.00 1.31 N ATOM 854 CA CYS A 54 -9.875 -1.372 10.514 1.00 42.33 C ATOM 855 C CYS A 54 -8.920 -2.479 10.905 1.00 34.20 C ATOM 856 O CYS A 54 -8.829 -3.460 10.171 1.00 31.43 O ATOM 857 CB CYS A 54 -9.136 -0.224 9.778 1.00 21.52 C ATOM 858 SG CYS A 54 -8.175 -0.718 8.310 1.00 55.00 S ATOM 0 H CYS A 54 -10.420 0.109 11.843 1.00 1.31 H new ATOM 0 HA CYS A 54 -10.594 -1.813 9.823 1.00 42.33 H new ATOM 0 HB2 CYS A 54 -9.871 0.521 9.475 1.00 21.52 H new ATOM 0 HB3 CYS A 54 -8.463 0.262 10.484 1.00 21.52 H new ATOM 863 N LEU A 55 -8.181 -2.437 12.054 1.00 23.53 N ATOM 864 CA LEU A 55 -7.367 -3.571 12.407 1.00 14.31 C ATOM 865 C LEU A 55 -8.167 -4.821 12.600 1.00 41.32 C ATOM 866 O LEU A 55 -7.782 -5.871 12.112 1.00 12.42 O ATOM 867 CB LEU A 55 -6.615 -3.206 13.661 1.00 10.13 C ATOM 868 CG LEU A 55 -5.475 -2.212 13.383 1.00 74.25 C ATOM 869 CD1 LEU A 55 -4.328 -2.870 12.603 1.00 14.22 C ATOM 870 CD2 LEU A 55 -5.762 -0.809 12.852 1.00 42.20 C ATOM 0 H LEU A 55 -8.151 -1.653 12.706 1.00 23.53 H new ATOM 0 HA LEU A 55 -6.681 -3.793 11.590 1.00 14.31 H new ATOM 0 HB2 LEU A 55 -7.306 -2.772 14.384 1.00 10.13 H new ATOM 0 HB3 LEU A 55 -6.206 -4.109 14.114 1.00 10.13 H new ATOM 0 HG LEU A 55 -5.198 -1.974 14.410 1.00 74.25 H new ATOM 0 HD11 LEU A 55 -3.541 -2.137 12.425 1.00 14.22 H new ATOM 0 HD12 LEU A 55 -3.925 -3.702 13.181 1.00 14.22 H new ATOM 0 HD13 LEU A 55 -4.702 -3.239 11.648 1.00 14.22 H new ATOM 0 HD21 LEU A 55 -4.824 -0.269 12.724 1.00 42.20 H new ATOM 0 HD22 LEU A 55 -6.273 -0.881 11.892 1.00 42.20 H new ATOM 0 HD23 LEU A 55 -6.395 -0.274 13.560 1.00 42.20 H new ATOM 882 N ALA A 56 -9.354 -4.704 13.203 1.00 41.24 N ATOM 883 CA ALA A 56 -10.272 -5.776 13.480 1.00 74.33 C ATOM 884 C ALA A 56 -10.671 -6.591 12.262 1.00 61.14 C ATOM 885 O ALA A 56 -10.825 -7.814 12.326 1.00 72.34 O ATOM 886 CB ALA A 56 -11.501 -5.142 14.137 1.00 24.11 C ATOM 0 H ALA A 56 -9.705 -3.801 13.523 1.00 41.24 H new ATOM 0 HA ALA A 56 -9.778 -6.496 14.133 1.00 74.33 H new ATOM 0 HB1 ALA A 56 -12.231 -5.918 14.368 1.00 24.11 H new ATOM 0 HB2 ALA A 56 -11.203 -4.639 15.057 1.00 24.11 H new ATOM 0 HB3 ALA A 56 -11.945 -4.417 13.455 1.00 24.11 H new ATOM 892 N LYS A 57 -10.829 -5.926 11.099 1.00 4.20 N ATOM 893 CA LYS A 57 -11.131 -6.620 9.866 1.00 44.41 C ATOM 894 C LYS A 57 -9.875 -7.206 9.210 1.00 70.32 C ATOM 895 O LYS A 57 -9.956 -8.108 8.379 1.00 44.22 O ATOM 896 CB LYS A 57 -11.898 -5.689 8.875 1.00 71.13 C ATOM 897 CG LYS A 57 -11.124 -4.605 8.112 1.00 14.44 C ATOM 898 CD LYS A 57 -12.049 -3.793 7.187 1.00 52.35 C ATOM 899 CE LYS A 57 -11.333 -2.674 6.433 1.00 62.04 C ATOM 900 NZ LYS A 57 -12.302 -1.981 5.561 1.00 70.42 N ATOM 0 H LYS A 57 -10.750 -4.913 11.005 1.00 4.20 H new ATOM 0 HA LYS A 57 -11.779 -7.459 10.120 1.00 44.41 H new ATOM 0 HB2 LYS A 57 -12.384 -6.326 8.136 1.00 71.13 H new ATOM 0 HB3 LYS A 57 -12.689 -5.193 9.437 1.00 71.13 H new ATOM 0 HG2 LYS A 57 -10.640 -3.935 8.822 1.00 14.44 H new ATOM 0 HG3 LYS A 57 -10.334 -5.069 7.521 1.00 14.44 H new ATOM 0 HD2 LYS A 57 -12.511 -4.468 6.466 1.00 52.35 H new ATOM 0 HD3 LYS A 57 -12.855 -3.361 7.781 1.00 52.35 H new ATOM 0 HE2 LYS A 57 -10.890 -1.970 7.137 1.00 62.04 H new ATOM 0 HE3 LYS A 57 -10.518 -3.084 5.837 1.00 62.04 H new ATOM 0 HZ1 LYS A 57 -11.820 -1.218 5.045 1.00 70.42 H new ATOM 0 HZ2 LYS A 57 -12.704 -2.658 4.882 1.00 70.42 H new ATOM 0 HZ3 LYS A 57 -13.065 -1.578 6.141 1.00 70.42 H new ATOM 914 N LYS A 58 -8.670 -6.718 9.590 1.00 70.01 N ATOM 915 CA LYS A 58 -7.386 -7.074 9.017 1.00 45.02 C ATOM 916 C LYS A 58 -6.495 -7.847 9.996 1.00 5.45 C ATOM 917 O LYS A 58 -5.273 -7.754 9.977 1.00 61.44 O ATOM 918 CB LYS A 58 -6.651 -5.807 8.514 1.00 61.41 C ATOM 919 CG LYS A 58 -7.322 -5.110 7.320 1.00 61.20 C ATOM 920 CD LYS A 58 -6.417 -4.032 6.695 1.00 11.32 C ATOM 921 CE LYS A 58 -7.028 -3.296 5.500 1.00 11.24 C ATOM 922 NZ LYS A 58 -7.181 -4.210 4.350 1.00 43.24 N ATOM 0 H LYS A 58 -8.582 -6.034 10.342 1.00 70.01 H new ATOM 0 HA LYS A 58 -7.588 -7.737 8.176 1.00 45.02 H new ATOM 0 HB2 LYS A 58 -6.575 -5.096 9.337 1.00 61.41 H new ATOM 0 HB3 LYS A 58 -5.634 -6.080 8.234 1.00 61.41 H new ATOM 0 HG2 LYS A 58 -7.576 -5.852 6.563 1.00 61.20 H new ATOM 0 HG3 LYS A 58 -8.257 -4.654 7.646 1.00 61.20 H new ATOM 0 HD2 LYS A 58 -6.163 -3.301 7.463 1.00 11.32 H new ATOM 0 HD3 LYS A 58 -5.485 -4.499 6.378 1.00 11.32 H new ATOM 0 HE2 LYS A 58 -7.999 -2.885 5.777 1.00 11.24 H new ATOM 0 HE3 LYS A 58 -6.394 -2.455 5.221 1.00 11.24 H new ATOM 0 HZ1 LYS A 58 -7.565 -3.685 3.538 1.00 43.24 H new ATOM 0 HZ2 LYS A 58 -6.254 -4.608 4.097 1.00 43.24 H new ATOM 0 HZ3 LYS A 58 -7.832 -4.981 4.603 1.00 43.24 H new ATOM 936 N LEU A 59 -7.092 -8.678 10.874 1.00 54.10 N ATOM 937 CA LEU A 59 -6.395 -9.491 11.879 1.00 3.01 C ATOM 938 C LEU A 59 -5.801 -10.714 11.251 1.00 31.15 C ATOM 939 O LEU A 59 -4.839 -11.305 11.714 1.00 73.22 O ATOM 940 CB LEU A 59 -7.276 -10.025 13.026 1.00 14.13 C ATOM 941 CG LEU A 59 -7.921 -8.920 13.868 1.00 21.21 C ATOM 942 CD1 LEU A 59 -8.826 -9.530 14.950 1.00 11.23 C ATOM 943 CD2 LEU A 59 -7.030 -7.774 14.328 1.00 75.41 C ATOM 0 H LEU A 59 -8.104 -8.802 10.900 1.00 54.10 H new ATOM 0 HA LEU A 59 -5.658 -8.799 12.287 1.00 3.01 H new ATOM 0 HB2 LEU A 59 -8.060 -10.656 12.607 1.00 14.13 H new ATOM 0 HB3 LEU A 59 -6.670 -10.658 13.674 1.00 14.13 H new ATOM 0 HG LEU A 59 -8.554 -8.365 13.176 1.00 21.21 H new ATOM 0 HD11 LEU A 59 -9.277 -8.732 15.540 1.00 11.23 H new ATOM 0 HD12 LEU A 59 -9.611 -10.120 14.477 1.00 11.23 H new ATOM 0 HD13 LEU A 59 -8.233 -10.172 15.601 1.00 11.23 H new ATOM 0 HD21 LEU A 59 -7.619 -7.068 14.913 1.00 75.41 H new ATOM 0 HD22 LEU A 59 -6.220 -8.167 14.942 1.00 75.41 H new ATOM 0 HD23 LEU A 59 -6.613 -7.266 13.459 1.00 75.41 H new ATOM 955 N GLU A 60 -6.394 -11.093 10.122 1.00 71.25 N ATOM 956 CA GLU A 60 -6.015 -12.215 9.271 1.00 14.01 C ATOM 957 C GLU A 60 -4.619 -12.038 8.715 1.00 4.44 C ATOM 958 O GLU A 60 -3.920 -12.983 8.363 1.00 13.14 O ATOM 959 CB GLU A 60 -6.999 -12.379 8.087 1.00 54.43 C ATOM 960 CG GLU A 60 -8.407 -12.713 8.618 1.00 14.43 C ATOM 961 CD GLU A 60 -9.363 -13.287 7.571 1.00 3.11 C ATOM 962 OE1 GLU A 60 -8.945 -14.205 6.821 1.00 24.33 O ATOM 963 OE2 GLU A 60 -10.541 -12.835 7.550 1.00 12.52 O ATOM 0 H GLU A 60 -7.203 -10.592 9.755 1.00 71.25 H new ATOM 0 HA GLU A 60 -6.046 -13.106 9.898 1.00 14.01 H new ATOM 0 HB2 GLU A 60 -7.031 -11.462 7.499 1.00 54.43 H new ATOM 0 HB3 GLU A 60 -6.654 -13.171 7.423 1.00 54.43 H new ATOM 0 HG2 GLU A 60 -8.313 -13.428 9.435 1.00 14.43 H new ATOM 0 HG3 GLU A 60 -8.848 -11.808 9.036 1.00 14.43 H new ATOM 970 N LEU A 61 -4.234 -10.758 8.632 1.00 51.53 N ATOM 971 CA LEU A 61 -2.945 -10.253 8.208 1.00 5.22 C ATOM 972 C LEU A 61 -1.858 -10.558 9.235 1.00 35.30 C ATOM 973 O LEU A 61 -0.684 -10.661 8.895 1.00 2.05 O ATOM 974 CB LEU A 61 -2.917 -8.726 7.973 1.00 44.25 C ATOM 975 CG LEU A 61 -3.887 -8.113 6.938 1.00 41.34 C ATOM 976 CD1 LEU A 61 -3.195 -7.053 6.074 1.00 32.43 C ATOM 977 CD2 LEU A 61 -4.951 -8.989 6.246 1.00 43.25 C ATOM 0 H LEU A 61 -4.871 -10.001 8.881 1.00 51.53 H new ATOM 0 HA LEU A 61 -2.759 -10.764 7.263 1.00 5.22 H new ATOM 0 HB2 LEU A 61 -3.107 -8.241 8.931 1.00 44.25 H new ATOM 0 HB3 LEU A 61 -1.904 -8.457 7.675 1.00 44.25 H new ATOM 0 HG LEU A 61 -4.611 -7.605 7.575 1.00 41.34 H new ATOM 0 HD11 LEU A 61 -3.908 -6.645 5.358 1.00 32.43 H new ATOM 0 HD12 LEU A 61 -2.821 -6.252 6.711 1.00 32.43 H new ATOM 0 HD13 LEU A 61 -2.363 -7.508 5.537 1.00 32.43 H new ATOM 0 HD21 LEU A 61 -5.533 -8.378 5.556 1.00 43.25 H new ATOM 0 HD22 LEU A 61 -4.460 -9.791 5.695 1.00 43.25 H new ATOM 0 HD23 LEU A 61 -5.614 -9.418 6.997 1.00 43.25 H new ATOM 989 N LEU A 62 -2.240 -10.653 10.528 1.00 34.51 N ATOM 990 CA LEU A 62 -1.374 -10.808 11.687 1.00 42.20 C ATOM 991 C LEU A 62 -0.694 -12.164 11.737 1.00 1.40 C ATOM 992 O LEU A 62 -1.076 -13.131 11.081 1.00 3.11 O ATOM 993 CB LEU A 62 -2.151 -10.616 13.024 1.00 61.13 C ATOM 994 CG LEU A 62 -2.808 -9.226 13.146 1.00 61.43 C ATOM 995 CD1 LEU A 62 -3.776 -9.102 14.337 1.00 53.50 C ATOM 996 CD2 LEU A 62 -1.774 -8.089 13.204 1.00 71.30 C ATOM 0 H LEU A 62 -3.225 -10.620 10.792 1.00 34.51 H new ATOM 0 HA LEU A 62 -0.618 -10.031 11.576 1.00 42.20 H new ATOM 0 HB2 LEU A 62 -2.921 -11.384 13.104 1.00 61.13 H new ATOM 0 HB3 LEU A 62 -1.467 -10.763 13.860 1.00 61.13 H new ATOM 0 HG LEU A 62 -3.394 -9.124 12.233 1.00 61.43 H new ATOM 0 HD11 LEU A 62 -4.199 -8.098 14.359 1.00 53.50 H new ATOM 0 HD12 LEU A 62 -4.579 -9.832 14.231 1.00 53.50 H new ATOM 0 HD13 LEU A 62 -3.236 -9.288 15.265 1.00 53.50 H new ATOM 0 HD21 LEU A 62 -2.289 -7.132 13.290 1.00 71.30 H new ATOM 0 HD22 LEU A 62 -1.126 -8.231 14.069 1.00 71.30 H new ATOM 0 HD23 LEU A 62 -1.173 -8.097 12.295 1.00 71.30 H new ATOM 1008 N ASP A 63 0.392 -12.248 12.535 1.00 41.20 N ATOM 1009 CA ASP A 63 1.202 -13.442 12.660 1.00 72.21 C ATOM 1010 C ASP A 63 0.430 -14.616 13.257 1.00 40.12 C ATOM 1011 O ASP A 63 -0.185 -14.509 14.315 1.00 31.01 O ATOM 1012 CB ASP A 63 2.439 -13.167 13.556 1.00 52.51 C ATOM 1013 CG ASP A 63 3.439 -12.245 12.871 1.00 62.41 C ATOM 1014 OD1 ASP A 63 4.109 -12.733 11.923 1.00 23.45 O ATOM 1015 OD2 ASP A 63 3.562 -11.076 13.319 1.00 43.33 O ATOM 0 H ASP A 63 0.720 -11.472 13.109 1.00 41.20 H new ATOM 0 HA ASP A 63 1.509 -13.709 11.649 1.00 72.21 H new ATOM 0 HB2 ASP A 63 2.115 -12.719 14.495 1.00 52.51 H new ATOM 0 HB3 ASP A 63 2.925 -14.110 13.804 1.00 52.51 H new ATOM 1020 N GLN A 64 0.510 -15.809 12.624 1.00 44.42 N ATOM 1021 CA GLN A 64 -0.156 -17.014 13.090 1.00 41.54 C ATOM 1022 C GLN A 64 0.332 -17.483 14.456 1.00 55.24 C ATOM 1023 O GLN A 64 -0.417 -18.062 15.236 1.00 12.42 O ATOM 1024 CB GLN A 64 -0.075 -18.131 12.018 1.00 10.34 C ATOM 1025 CG GLN A 64 -0.799 -19.444 12.405 1.00 40.40 C ATOM 1026 CD GLN A 64 -2.287 -19.242 12.741 1.00 3.43 C ATOM 1027 OE1 GLN A 64 -3.120 -18.853 11.916 1.00 61.45 O ATOM 1028 NE2 GLN A 64 -2.634 -19.506 14.028 1.00 25.24 N ATOM 0 H GLN A 64 1.048 -15.947 11.768 1.00 44.42 H new ATOM 0 HA GLN A 64 -1.206 -16.762 13.237 1.00 41.54 H new ATOM 0 HB2 GLN A 64 -0.501 -17.756 11.088 1.00 10.34 H new ATOM 0 HB3 GLN A 64 0.974 -18.353 11.821 1.00 10.34 H new ATOM 0 HG2 GLN A 64 -0.712 -20.154 11.583 1.00 40.40 H new ATOM 0 HG3 GLN A 64 -0.297 -19.888 13.264 1.00 40.40 H new ATOM 0 HE21 GLN A 64 -1.928 -19.826 14.691 1.00 25.24 H new ATOM 0 HE22 GLN A 64 -3.600 -19.384 14.331 1.00 25.24 H new ATOM 1037 N ASP A 65 1.592 -17.166 14.818 1.00 10.22 N ATOM 1038 CA ASP A 65 2.177 -17.456 16.118 1.00 75.34 C ATOM 1039 C ASP A 65 1.390 -16.855 17.287 1.00 14.34 C ATOM 1040 O ASP A 65 1.319 -17.470 18.348 1.00 40.54 O ATOM 1041 CB ASP A 65 3.640 -16.933 16.210 1.00 52.11 C ATOM 1042 CG ASP A 65 4.621 -17.742 15.364 1.00 62.25 C ATOM 1043 OD1 ASP A 65 4.268 -18.863 14.917 1.00 20.24 O ATOM 1044 OD2 ASP A 65 5.748 -17.222 15.161 1.00 11.45 O ATOM 0 H ASP A 65 2.238 -16.689 14.189 1.00 10.22 H new ATOM 0 HA ASP A 65 2.149 -18.542 16.202 1.00 75.34 H new ATOM 0 HB2 ASP A 65 3.668 -15.891 15.891 1.00 52.11 H new ATOM 0 HB3 ASP A 65 3.963 -16.956 17.251 1.00 52.11 H new ATOM 1049 N MET A 66 0.775 -15.650 17.142 1.00 1.22 N ATOM 1050 CA MET A 66 -0.051 -15.100 18.212 1.00 54.01 C ATOM 1051 C MET A 66 -1.455 -15.684 18.229 1.00 21.14 C ATOM 1052 O MET A 66 -2.173 -15.513 19.213 1.00 2.11 O ATOM 1053 CB MET A 66 -0.147 -13.544 18.198 1.00 50.42 C ATOM 1054 CG MET A 66 -0.925 -12.867 17.052 1.00 13.23 C ATOM 1055 SD MET A 66 -1.107 -11.060 17.217 1.00 63.32 S ATOM 1056 CE MET A 66 0.622 -10.587 16.920 1.00 21.14 C ATOM 0 H MET A 66 0.842 -15.065 16.309 1.00 1.22 H new ATOM 0 HA MET A 66 0.471 -15.395 19.122 1.00 54.01 H new ATOM 0 HB2 MET A 66 -0.602 -13.231 19.138 1.00 50.42 H new ATOM 0 HB3 MET A 66 0.869 -13.149 18.188 1.00 50.42 H new ATOM 0 HG2 MET A 66 -0.419 -13.083 16.111 1.00 13.23 H new ATOM 0 HG3 MET A 66 -1.917 -13.314 16.991 1.00 13.23 H new ATOM 0 HE1 MET A 66 0.683 -9.509 16.768 1.00 21.14 H new ATOM 0 HE2 MET A 66 1.229 -10.867 17.781 1.00 21.14 H new ATOM 0 HE3 MET A 66 0.992 -11.100 16.033 1.00 21.14 H new ATOM 1066 N ASN A 67 -1.852 -16.402 17.145 1.00 73.24 N ATOM 1067 CA ASN A 67 -3.141 -17.038 16.915 1.00 4.43 C ATOM 1068 C ASN A 67 -4.351 -16.116 16.855 1.00 75.13 C ATOM 1069 O ASN A 67 -5.469 -16.551 17.126 1.00 14.42 O ATOM 1070 CB ASN A 67 -3.402 -18.183 17.947 1.00 24.54 C ATOM 1071 CG ASN A 67 -2.428 -19.340 17.727 1.00 13.12 C ATOM 1072 OD1 ASN A 67 -2.658 -20.190 16.863 1.00 22.21 O ATOM 1073 ND2 ASN A 67 -1.309 -19.378 18.489 1.00 52.42 N ATOM 0 H ASN A 67 -1.218 -16.552 16.360 1.00 73.24 H new ATOM 0 HA ASN A 67 -3.042 -17.440 15.907 1.00 4.43 H new ATOM 0 HB2 ASN A 67 -3.294 -17.797 18.961 1.00 24.54 H new ATOM 0 HB3 ASN A 67 -4.427 -18.540 17.850 1.00 24.54 H new ATOM 0 HD21 ASN A 67 -0.627 -20.125 18.357 1.00 52.42 H new ATOM 0 HD22 ASN A 67 -1.148 -18.660 19.195 1.00 52.42 H new ATOM 1080 N LEU A 68 -4.201 -14.823 16.465 1.00 63.33 N ATOM 1081 CA LEU A 68 -5.358 -13.949 16.369 1.00 25.04 C ATOM 1082 C LEU A 68 -6.104 -14.159 15.069 1.00 74.05 C ATOM 1083 O LEU A 68 -5.555 -13.976 13.985 1.00 54.31 O ATOM 1084 CB LEU A 68 -4.984 -12.446 16.457 1.00 21.31 C ATOM 1085 CG LEU A 68 -6.082 -11.506 17.020 1.00 62.21 C ATOM 1086 CD1 LEU A 68 -5.859 -10.033 16.722 1.00 72.44 C ATOM 1087 CD2 LEU A 68 -7.540 -11.989 17.092 1.00 14.53 C ATOM 0 H LEU A 68 -3.310 -14.390 16.222 1.00 63.33 H new ATOM 0 HA LEU A 68 -5.987 -14.213 17.219 1.00 25.04 H new ATOM 0 HB2 LEU A 68 -4.095 -12.349 17.080 1.00 21.31 H new ATOM 0 HB3 LEU A 68 -4.713 -12.100 15.459 1.00 21.31 H new ATOM 0 HG LEU A 68 -5.887 -11.609 18.087 1.00 62.21 H new ATOM 0 HD11 LEU A 68 -6.672 -9.448 17.151 1.00 72.44 H new ATOM 0 HD12 LEU A 68 -4.912 -9.713 17.158 1.00 72.44 H new ATOM 0 HD13 LEU A 68 -5.832 -9.880 15.643 1.00 72.44 H new ATOM 0 HD21 LEU A 68 -8.164 -11.200 17.511 1.00 14.53 H new ATOM 0 HD22 LEU A 68 -7.891 -12.236 16.090 1.00 14.53 H new ATOM 0 HD23 LEU A 68 -7.599 -12.874 17.726 1.00 14.53 H new ATOM 1099 N HIS A 69 -7.405 -14.500 15.154 1.00 45.14 N ATOM 1100 CA HIS A 69 -8.276 -14.416 14.008 1.00 74.34 C ATOM 1101 C HIS A 69 -9.583 -13.898 14.532 1.00 5.23 C ATOM 1102 O HIS A 69 -9.963 -14.195 15.668 1.00 14.24 O ATOM 1103 CB HIS A 69 -8.471 -15.786 13.300 1.00 42.31 C ATOM 1104 CG HIS A 69 -7.221 -16.341 12.654 1.00 53.23 C ATOM 1105 ND1 HIS A 69 -6.867 -15.996 11.379 1.00 21.14 N ATOM 1106 CD2 HIS A 69 -6.267 -17.194 13.104 1.00 23.51 C ATOM 1107 CE1 HIS A 69 -5.749 -16.621 11.059 1.00 41.01 C ATOM 1108 NE2 HIS A 69 -5.364 -17.358 12.084 1.00 15.51 N ATOM 0 H HIS A 69 -7.856 -14.832 16.007 1.00 45.14 H new ATOM 0 HA HIS A 69 -7.844 -13.762 13.250 1.00 74.34 H new ATOM 0 HB2 HIS A 69 -8.840 -16.508 14.029 1.00 42.31 H new ATOM 0 HB3 HIS A 69 -9.243 -15.680 12.537 1.00 42.31 H new ATOM 0 HD2 HIS A 69 -6.226 -17.656 14.079 1.00 23.51 H new ATOM 0 HE1 HIS A 69 -5.234 -16.542 10.113 1.00 41.01 H new ATOM 0 HE2 HIS A 69 -4.534 -17.950 12.113 1.00 15.51 H new ATOM 1117 N HIS A 70 -10.304 -13.067 13.745 1.00 33.14 N ATOM 1118 CA HIS A 70 -11.572 -12.550 14.205 1.00 31.31 C ATOM 1119 C HIS A 70 -12.677 -13.569 14.316 1.00 75.41 C ATOM 1120 O HIS A 70 -12.844 -14.483 13.513 1.00 33.10 O ATOM 1121 CB HIS A 70 -12.039 -11.287 13.424 1.00 3.31 C ATOM 1122 CG HIS A 70 -11.906 -11.326 11.931 1.00 32.25 C ATOM 1123 ND1 HIS A 70 -11.431 -10.225 11.273 1.00 54.53 N ATOM 1124 CD2 HIS A 70 -12.073 -12.299 11.008 1.00 20.53 C ATOM 1125 CE1 HIS A 70 -11.315 -10.514 9.993 1.00 74.32 C ATOM 1126 NE2 HIS A 70 -11.690 -11.766 9.806 1.00 73.34 N ATOM 0 H HIS A 70 -10.022 -12.758 12.815 1.00 33.14 H new ATOM 0 HA HIS A 70 -11.359 -12.245 15.229 1.00 31.31 H new ATOM 0 HB2 HIS A 70 -13.086 -11.106 13.667 1.00 3.31 H new ATOM 0 HB3 HIS A 70 -11.473 -10.431 13.793 1.00 3.31 H new ATOM 0 HD1 HIS A 70 -11.204 -9.328 11.703 1.00 54.53 H new ATOM 0 HD2 HIS A 70 -12.437 -13.300 11.184 1.00 20.53 H new ATOM 0 HE1 HIS A 70 -10.970 -9.839 9.224 1.00 74.32 H new ATOM 0 HE2 HIS A 70 -11.694 -12.257 8.912 1.00 73.34 H new ATOM 1135 N GLY A 71 -13.420 -13.407 15.426 1.00 43.23 N ATOM 1136 CA GLY A 71 -14.464 -14.307 15.900 1.00 43.20 C ATOM 1137 C GLY A 71 -14.002 -15.338 16.904 1.00 3.01 C ATOM 1138 O GLY A 71 -14.824 -15.988 17.541 1.00 61.10 O ATOM 0 H GLY A 71 -13.295 -12.602 16.040 1.00 43.23 H new ATOM 0 HA2 GLY A 71 -15.260 -13.713 16.350 1.00 43.20 H new ATOM 0 HA3 GLY A 71 -14.897 -14.823 15.043 1.00 43.20 H new ATOM 1142 N LYS A 72 -12.675 -15.520 17.089 1.00 64.01 N ATOM 1143 CA LYS A 72 -12.095 -16.612 17.853 1.00 42.31 C ATOM 1144 C LYS A 72 -11.450 -16.100 19.131 1.00 50.31 C ATOM 1145 O LYS A 72 -10.489 -16.681 19.638 1.00 14.14 O ATOM 1146 CB LYS A 72 -11.045 -17.431 17.038 1.00 53.43 C ATOM 1147 CG LYS A 72 -11.605 -18.309 15.896 1.00 32.54 C ATOM 1148 CD LYS A 72 -12.006 -17.579 14.603 1.00 44.04 C ATOM 1149 CE LYS A 72 -12.598 -18.494 13.526 1.00 1.23 C ATOM 1150 NZ LYS A 72 -11.573 -19.419 13.003 1.00 3.51 N ATOM 0 H LYS A 72 -11.975 -14.890 16.697 1.00 64.01 H new ATOM 0 HA LYS A 72 -12.921 -17.279 18.098 1.00 42.31 H new ATOM 0 HB2 LYS A 72 -10.322 -16.735 16.613 1.00 53.43 H new ATOM 0 HB3 LYS A 72 -10.500 -18.074 17.729 1.00 53.43 H new ATOM 0 HG2 LYS A 72 -10.857 -19.061 15.645 1.00 32.54 H new ATOM 0 HG3 LYS A 72 -12.478 -18.842 16.272 1.00 32.54 H new ATOM 0 HD2 LYS A 72 -12.733 -16.804 14.846 1.00 44.04 H new ATOM 0 HD3 LYS A 72 -11.129 -17.076 14.195 1.00 44.04 H new ATOM 0 HE2 LYS A 72 -13.429 -19.063 13.942 1.00 1.23 H new ATOM 0 HE3 LYS A 72 -13.000 -17.892 12.712 1.00 1.23 H new ATOM 0 HZ1 LYS A 72 -11.977 -19.983 12.228 1.00 3.51 H new ATOM 0 HZ2 LYS A 72 -10.762 -18.873 12.648 1.00 3.51 H new ATOM 0 HZ3 LYS A 72 -11.257 -20.053 13.764 1.00 3.51 H new ATOM 1164 N ALA A 73 -11.991 -15.003 19.717 1.00 61.22 N ATOM 1165 CA ALA A 73 -11.418 -14.324 20.866 1.00 20.15 C ATOM 1166 C ALA A 73 -11.253 -15.188 22.072 1.00 71.34 C ATOM 1167 O ALA A 73 -10.199 -15.141 22.683 1.00 54.05 O ATOM 1168 CB ALA A 73 -12.280 -13.146 21.332 1.00 52.32 C ATOM 0 H ALA A 73 -12.853 -14.571 19.385 1.00 61.22 H new ATOM 0 HA ALA A 73 -10.444 -14.005 20.497 1.00 20.15 H new ATOM 0 HB1 ALA A 73 -11.811 -12.670 22.193 1.00 52.32 H new ATOM 0 HB2 ALA A 73 -12.374 -12.421 20.523 1.00 52.32 H new ATOM 0 HB3 ALA A 73 -13.270 -13.507 21.612 1.00 52.32 H new ATOM 1174 N MET A 74 -12.248 -16.017 22.437 1.00 42.02 N ATOM 1175 CA MET A 74 -12.153 -16.801 23.662 1.00 13.45 C ATOM 1176 C MET A 74 -10.979 -17.775 23.650 1.00 32.10 C ATOM 1177 O MET A 74 -10.275 -17.932 24.645 1.00 1.13 O ATOM 1178 CB MET A 74 -13.455 -17.585 23.962 1.00 71.31 C ATOM 1179 CG MET A 74 -14.635 -16.662 24.322 1.00 52.35 C ATOM 1180 SD MET A 74 -16.158 -17.533 24.804 1.00 21.44 S ATOM 1181 CE MET A 74 -15.612 -17.988 26.477 1.00 72.41 C ATOM 0 H MET A 74 -13.108 -16.154 21.906 1.00 42.02 H new ATOM 0 HA MET A 74 -11.989 -16.069 24.452 1.00 13.45 H new ATOM 0 HB2 MET A 74 -13.721 -18.186 23.092 1.00 71.31 H new ATOM 0 HB3 MET A 74 -13.276 -18.277 24.785 1.00 71.31 H new ATOM 0 HG2 MET A 74 -14.332 -16.008 25.140 1.00 52.35 H new ATOM 0 HG3 MET A 74 -14.853 -16.022 23.467 1.00 52.35 H new ATOM 0 HE1 MET A 74 -15.668 -19.070 26.596 1.00 72.41 H new ATOM 0 HE2 MET A 74 -14.583 -17.660 26.626 1.00 72.41 H new ATOM 0 HE3 MET A 74 -16.256 -17.508 27.213 1.00 72.41 H new ATOM 1191 N GLU A 75 -10.730 -18.428 22.493 1.00 14.25 N ATOM 1192 CA GLU A 75 -9.599 -19.326 22.306 1.00 43.34 C ATOM 1193 C GLU A 75 -8.260 -18.598 22.262 1.00 12.44 C ATOM 1194 O GLU A 75 -7.297 -18.988 22.919 1.00 64.22 O ATOM 1195 CB GLU A 75 -9.761 -20.149 20.999 1.00 25.20 C ATOM 1196 CG GLU A 75 -10.943 -21.154 21.011 1.00 22.23 C ATOM 1197 CD GLU A 75 -10.761 -22.294 22.016 1.00 71.24 C ATOM 1198 OE1 GLU A 75 -9.788 -23.074 21.850 1.00 3.30 O ATOM 1199 OE2 GLU A 75 -11.610 -22.402 22.937 1.00 43.25 O ATOM 0 H GLU A 75 -11.320 -18.337 21.666 1.00 14.25 H new ATOM 0 HA GLU A 75 -9.596 -19.986 23.174 1.00 43.34 H new ATOM 0 HB2 GLU A 75 -9.896 -19.460 20.165 1.00 25.20 H new ATOM 0 HB3 GLU A 75 -8.837 -20.697 20.813 1.00 25.20 H new ATOM 0 HG2 GLU A 75 -11.863 -20.618 21.243 1.00 22.23 H new ATOM 0 HG3 GLU A 75 -11.062 -21.575 20.013 1.00 22.23 H new ATOM 1206 N PHE A 76 -8.206 -17.479 21.509 1.00 74.12 N ATOM 1207 CA PHE A 76 -7.084 -16.567 21.387 1.00 1.10 C ATOM 1208 C PHE A 76 -6.689 -15.933 22.705 1.00 31.23 C ATOM 1209 O PHE A 76 -5.523 -15.930 23.085 1.00 70.34 O ATOM 1210 CB PHE A 76 -7.464 -15.490 20.327 1.00 50.53 C ATOM 1211 CG PHE A 76 -6.521 -14.320 20.276 1.00 30.40 C ATOM 1212 CD1 PHE A 76 -5.226 -14.410 19.754 1.00 12.23 C ATOM 1213 CD2 PHE A 76 -6.932 -13.118 20.870 1.00 1.30 C ATOM 1214 CE1 PHE A 76 -4.383 -13.290 19.753 1.00 21.23 C ATOM 1215 CE2 PHE A 76 -6.058 -12.036 20.956 1.00 74.30 C ATOM 1216 CZ PHE A 76 -4.794 -12.104 20.366 1.00 1.10 C ATOM 0 H PHE A 76 -9.000 -17.184 20.941 1.00 74.12 H new ATOM 0 HA PHE A 76 -6.204 -17.127 21.069 1.00 1.10 H new ATOM 0 HB2 PHE A 76 -7.497 -15.959 19.344 1.00 50.53 H new ATOM 0 HB3 PHE A 76 -8.469 -15.124 20.540 1.00 50.53 H new ATOM 0 HD1 PHE A 76 -4.874 -15.348 19.350 1.00 12.23 H new ATOM 0 HD2 PHE A 76 -7.934 -13.030 21.264 1.00 1.30 H new ATOM 0 HE1 PHE A 76 -3.415 -13.344 19.278 1.00 21.23 H new ATOM 0 HE2 PHE A 76 -6.359 -11.141 21.481 1.00 74.30 H new ATOM 0 HZ PHE A 76 -4.139 -11.246 20.384 1.00 1.10 H new ATOM 1226 N ALA A 77 -7.664 -15.405 23.459 1.00 71.42 N ATOM 1227 CA ALA A 77 -7.440 -14.708 24.695 1.00 43.21 C ATOM 1228 C ALA A 77 -6.771 -15.563 25.754 1.00 25.44 C ATOM 1229 O ALA A 77 -5.851 -15.119 26.441 1.00 24.21 O ATOM 1230 CB ALA A 77 -8.804 -14.209 25.155 1.00 12.33 C ATOM 0 H ALA A 77 -8.650 -15.462 23.203 1.00 71.42 H new ATOM 0 HA ALA A 77 -6.744 -13.885 24.535 1.00 43.21 H new ATOM 0 HB1 ALA A 77 -8.696 -13.669 26.095 1.00 12.33 H new ATOM 0 HB2 ALA A 77 -9.221 -13.543 24.400 1.00 12.33 H new ATOM 0 HB3 ALA A 77 -9.472 -15.058 25.299 1.00 12.33 H new ATOM 1236 N MET A 78 -7.196 -16.842 25.860 1.00 71.41 N ATOM 1237 CA MET A 78 -6.589 -17.830 26.725 1.00 10.34 C ATOM 1238 C MET A 78 -5.148 -18.169 26.360 1.00 2.32 C ATOM 1239 O MET A 78 -4.314 -18.360 27.244 1.00 32.25 O ATOM 1240 CB MET A 78 -7.484 -19.087 26.808 1.00 61.44 C ATOM 1241 CG MET A 78 -8.793 -18.802 27.586 1.00 62.44 C ATOM 1242 SD MET A 78 -9.936 -20.216 27.684 1.00 21.23 S ATOM 1243 CE MET A 78 -8.941 -21.235 28.812 1.00 73.52 C ATOM 0 H MET A 78 -7.987 -17.205 25.328 1.00 71.41 H new ATOM 0 HA MET A 78 -6.521 -17.383 27.717 1.00 10.34 H new ATOM 0 HB2 MET A 78 -7.725 -19.430 25.802 1.00 61.44 H new ATOM 0 HB3 MET A 78 -6.937 -19.893 27.297 1.00 61.44 H new ATOM 0 HG2 MET A 78 -8.538 -18.486 28.598 1.00 62.44 H new ATOM 0 HG3 MET A 78 -9.308 -17.967 27.112 1.00 62.44 H new ATOM 0 HE1 MET A 78 -9.564 -22.023 29.236 1.00 73.52 H new ATOM 0 HE2 MET A 78 -8.113 -21.683 28.263 1.00 73.52 H new ATOM 0 HE3 MET A 78 -8.548 -20.611 29.615 1.00 73.52 H new ATOM 1253 N LYS A 79 -4.788 -18.183 25.051 1.00 55.14 N ATOM 1254 CA LYS A 79 -3.401 -18.331 24.599 1.00 51.32 C ATOM 1255 C LYS A 79 -2.495 -17.194 25.091 1.00 30.51 C ATOM 1256 O LYS A 79 -1.297 -17.381 25.291 1.00 4.13 O ATOM 1257 CB LYS A 79 -3.295 -18.384 23.048 1.00 41.42 C ATOM 1258 CG LYS A 79 -3.895 -19.642 22.393 1.00 11.41 C ATOM 1259 CD LYS A 79 -3.052 -20.910 22.601 1.00 45.40 C ATOM 1260 CE LYS A 79 -3.655 -22.141 21.924 1.00 51.44 C ATOM 1261 NZ LYS A 79 -2.789 -23.312 22.156 1.00 31.32 N ATOM 0 H LYS A 79 -5.459 -18.091 24.288 1.00 55.14 H new ATOM 0 HA LYS A 79 -3.065 -19.275 25.029 1.00 51.32 H new ATOM 0 HB2 LYS A 79 -3.793 -17.506 22.635 1.00 41.42 H new ATOM 0 HB3 LYS A 79 -2.244 -18.315 22.769 1.00 41.42 H new ATOM 0 HG2 LYS A 79 -4.893 -19.810 22.797 1.00 11.41 H new ATOM 0 HG3 LYS A 79 -4.010 -19.464 21.324 1.00 11.41 H new ATOM 0 HD2 LYS A 79 -2.048 -20.741 22.210 1.00 45.40 H new ATOM 0 HD3 LYS A 79 -2.950 -21.102 23.669 1.00 45.40 H new ATOM 0 HE2 LYS A 79 -4.653 -22.332 22.318 1.00 51.44 H new ATOM 0 HE3 LYS A 79 -3.763 -21.963 20.854 1.00 51.44 H new ATOM 0 HZ1 LYS A 79 -3.203 -24.147 21.694 1.00 31.32 H new ATOM 0 HZ2 LYS A 79 -1.845 -23.129 21.760 1.00 31.32 H new ATOM 0 HZ3 LYS A 79 -2.708 -23.487 23.178 1.00 31.32 H new ATOM 1275 N HIS A 80 -3.068 -15.992 25.319 1.00 74.15 N ATOM 1276 CA HIS A 80 -2.388 -14.801 25.797 1.00 42.43 C ATOM 1277 C HIS A 80 -2.455 -14.598 27.294 1.00 54.12 C ATOM 1278 O HIS A 80 -2.106 -13.532 27.798 1.00 64.35 O ATOM 1279 CB HIS A 80 -2.917 -13.566 25.055 1.00 43.12 C ATOM 1280 CG HIS A 80 -2.441 -13.594 23.626 1.00 52.01 C ATOM 1281 ND1 HIS A 80 -1.150 -13.271 23.303 1.00 31.10 N ATOM 1282 CD2 HIS A 80 -2.976 -14.186 22.537 1.00 23.13 C ATOM 1283 CE1 HIS A 80 -0.910 -13.660 22.064 1.00 1.23 C ATOM 1284 NE2 HIS A 80 -1.998 -14.227 21.581 1.00 22.31 N ATOM 0 H HIS A 80 -4.064 -15.834 25.163 1.00 74.15 H new ATOM 0 HA HIS A 80 -1.330 -14.948 25.578 1.00 42.43 H new ATOM 0 HB2 HIS A 80 -4.006 -13.549 25.086 1.00 43.12 H new ATOM 0 HB3 HIS A 80 -2.570 -12.657 25.547 1.00 43.12 H new ATOM 0 HD2 HIS A 80 -3.985 -14.557 22.439 1.00 23.13 H new ATOM 0 HE1 HIS A 80 0.023 -13.535 21.534 1.00 1.23 H new ATOM 0 HE2 HIS A 80 -2.095 -14.630 20.649 1.00 22.31 H new ATOM 1293 N GLY A 81 -2.855 -15.635 28.061 1.00 31.01 N ATOM 1294 CA GLY A 81 -2.690 -15.632 29.507 1.00 34.22 C ATOM 1295 C GLY A 81 -3.902 -15.184 30.258 1.00 12.42 C ATOM 1296 O GLY A 81 -3.907 -15.201 31.486 1.00 50.31 O ATOM 0 H GLY A 81 -3.293 -16.479 27.691 1.00 31.01 H new ATOM 0 HA2 GLY A 81 -2.424 -16.637 29.834 1.00 34.22 H new ATOM 0 HA3 GLY A 81 -1.854 -14.981 29.765 1.00 34.22 H new ATOM 1300 N ALA A 82 -4.990 -14.805 29.556 1.00 55.01 N ATOM 1301 CA ALA A 82 -6.287 -14.681 30.202 1.00 62.01 C ATOM 1302 C ALA A 82 -6.813 -16.042 30.678 1.00 12.41 C ATOM 1303 O ALA A 82 -6.680 -17.055 29.998 1.00 74.12 O ATOM 1304 CB ALA A 82 -7.322 -14.054 29.245 1.00 2.02 C ATOM 0 H ALA A 82 -4.985 -14.586 28.560 1.00 55.01 H new ATOM 0 HA ALA A 82 -6.147 -14.032 31.067 1.00 62.01 H new ATOM 0 HB1 ALA A 82 -8.283 -13.972 29.752 1.00 2.02 H new ATOM 0 HB2 ALA A 82 -6.985 -13.062 28.944 1.00 2.02 H new ATOM 0 HB3 ALA A 82 -7.430 -14.684 28.362 1.00 2.02 H new ATOM 1310 N ASP A 83 -7.454 -16.117 31.870 1.00 23.44 N ATOM 1311 CA ASP A 83 -8.189 -17.313 32.254 1.00 63.23 C ATOM 1312 C ASP A 83 -9.552 -17.268 31.582 1.00 32.32 C ATOM 1313 O ASP A 83 -9.944 -16.252 31.016 1.00 30.15 O ATOM 1314 CB ASP A 83 -8.376 -17.446 33.786 1.00 74.44 C ATOM 1315 CG ASP A 83 -7.027 -17.588 34.483 1.00 10.30 C ATOM 1316 OD1 ASP A 83 -6.726 -16.733 35.354 1.00 54.22 O ATOM 1317 OD2 ASP A 83 -6.317 -18.582 34.181 1.00 43.42 O ATOM 0 H ASP A 83 -7.469 -15.368 32.562 1.00 23.44 H new ATOM 0 HA ASP A 83 -7.610 -18.179 31.934 1.00 63.23 H new ATOM 0 HB2 ASP A 83 -8.900 -16.571 34.171 1.00 74.44 H new ATOM 0 HB3 ASP A 83 -8.999 -18.313 34.008 1.00 74.44 H new ATOM 1322 N GLU A 84 -10.327 -18.373 31.626 1.00 0.25 N ATOM 1323 CA GLU A 84 -11.578 -18.480 30.882 1.00 10.20 C ATOM 1324 C GLU A 84 -12.628 -17.489 31.358 1.00 35.11 C ATOM 1325 O GLU A 84 -13.387 -16.925 30.573 1.00 53.13 O ATOM 1326 CB GLU A 84 -12.135 -19.934 30.895 1.00 24.34 C ATOM 1327 CG GLU A 84 -12.551 -20.489 32.277 1.00 62.43 C ATOM 1328 CD GLU A 84 -13.019 -21.945 32.199 1.00 12.51 C ATOM 1329 OE1 GLU A 84 -14.209 -22.198 32.516 1.00 63.23 O ATOM 1330 OE2 GLU A 84 -12.177 -22.809 31.842 1.00 40.41 O ATOM 0 H GLU A 84 -10.097 -19.202 32.175 1.00 0.25 H new ATOM 0 HA GLU A 84 -11.341 -18.221 29.850 1.00 10.20 H new ATOM 0 HB2 GLU A 84 -13.000 -19.976 30.233 1.00 24.34 H new ATOM 0 HB3 GLU A 84 -11.378 -20.595 30.473 1.00 24.34 H new ATOM 0 HG2 GLU A 84 -11.708 -20.416 32.964 1.00 62.43 H new ATOM 0 HG3 GLU A 84 -13.351 -19.873 32.688 1.00 62.43 H new ATOM 1337 N ALA A 85 -12.625 -17.224 32.680 1.00 41.43 N ATOM 1338 CA ALA A 85 -13.424 -16.227 33.356 1.00 62.12 C ATOM 1339 C ALA A 85 -13.047 -14.808 32.956 1.00 41.23 C ATOM 1340 O ALA A 85 -13.893 -13.957 32.697 1.00 63.25 O ATOM 1341 CB ALA A 85 -13.264 -16.415 34.876 1.00 13.41 C ATOM 0 H ALA A 85 -12.025 -17.738 33.325 1.00 41.43 H new ATOM 0 HA ALA A 85 -14.464 -16.366 33.061 1.00 62.12 H new ATOM 0 HB1 ALA A 85 -13.862 -15.669 35.400 1.00 13.41 H new ATOM 0 HB2 ALA A 85 -13.601 -17.413 35.157 1.00 13.41 H new ATOM 0 HB3 ALA A 85 -12.215 -16.297 35.149 1.00 13.41 H new ATOM 1347 N MET A 86 -11.729 -14.526 32.878 1.00 3.24 N ATOM 1348 CA MET A 86 -11.187 -13.254 32.449 1.00 75.54 C ATOM 1349 C MET A 86 -11.439 -12.987 30.980 1.00 71.31 C ATOM 1350 O MET A 86 -11.732 -11.864 30.576 1.00 40.22 O ATOM 1351 CB MET A 86 -9.675 -13.159 32.709 1.00 52.50 C ATOM 1352 CG MET A 86 -9.288 -13.206 34.198 1.00 14.31 C ATOM 1353 SD MET A 86 -7.494 -13.331 34.454 1.00 71.33 S ATOM 1354 CE MET A 86 -7.593 -13.328 36.265 1.00 5.35 C ATOM 0 H MET A 86 -11.008 -15.205 33.122 1.00 3.24 H new ATOM 0 HA MET A 86 -11.707 -12.502 33.042 1.00 75.54 H new ATOM 0 HB2 MET A 86 -9.176 -13.977 32.189 1.00 52.50 H new ATOM 0 HB3 MET A 86 -9.301 -12.231 32.277 1.00 52.50 H new ATOM 0 HG2 MET A 86 -9.660 -12.309 34.694 1.00 14.31 H new ATOM 0 HG3 MET A 86 -9.778 -14.058 34.670 1.00 14.31 H new ATOM 0 HE1 MET A 86 -6.589 -13.399 36.684 1.00 5.35 H new ATOM 0 HE2 MET A 86 -8.063 -12.404 36.602 1.00 5.35 H new ATOM 0 HE3 MET A 86 -8.186 -14.180 36.598 1.00 5.35 H new ATOM 1364 N ALA A 87 -11.323 -14.035 30.142 1.00 52.05 N ATOM 1365 CA ALA A 87 -11.607 -13.964 28.727 1.00 21.20 C ATOM 1366 C ALA A 87 -13.053 -13.578 28.428 1.00 34.11 C ATOM 1367 O ALA A 87 -13.329 -12.659 27.658 1.00 72.23 O ATOM 1368 CB ALA A 87 -11.289 -15.328 28.081 1.00 21.23 C ATOM 0 H ALA A 87 -11.024 -14.960 30.450 1.00 52.05 H new ATOM 0 HA ALA A 87 -10.979 -13.179 28.306 1.00 21.20 H new ATOM 0 HB1 ALA A 87 -11.501 -15.283 27.013 1.00 21.23 H new ATOM 0 HB2 ALA A 87 -10.236 -15.566 28.233 1.00 21.23 H new ATOM 0 HB3 ALA A 87 -11.905 -16.101 28.541 1.00 21.23 H new ATOM 1374 N LYS A 88 -14.024 -14.228 29.109 1.00 64.22 N ATOM 1375 CA LYS A 88 -15.432 -13.888 28.987 1.00 32.23 C ATOM 1376 C LYS A 88 -15.747 -12.542 29.611 1.00 63.02 C ATOM 1377 O LYS A 88 -16.637 -11.836 29.147 1.00 22.04 O ATOM 1378 CB LYS A 88 -16.389 -14.983 29.547 1.00 12.31 C ATOM 1379 CG LYS A 88 -16.359 -15.229 31.063 1.00 10.32 C ATOM 1380 CD LYS A 88 -17.343 -16.326 31.506 1.00 44.41 C ATOM 1381 CE LYS A 88 -17.418 -16.522 33.020 1.00 74.40 C ATOM 1382 NZ LYS A 88 -18.469 -17.508 33.340 1.00 13.01 N ATOM 0 H LYS A 88 -13.839 -14.998 29.752 1.00 64.22 H new ATOM 0 HA LYS A 88 -15.616 -13.826 27.914 1.00 32.23 H new ATOM 0 HB2 LYS A 88 -17.408 -14.717 29.268 1.00 12.31 H new ATOM 0 HB3 LYS A 88 -16.157 -15.923 29.047 1.00 12.31 H new ATOM 0 HG2 LYS A 88 -15.349 -15.510 31.361 1.00 10.32 H new ATOM 0 HG3 LYS A 88 -16.598 -14.301 31.582 1.00 10.32 H new ATOM 0 HD2 LYS A 88 -18.337 -16.080 31.133 1.00 44.41 H new ATOM 0 HD3 LYS A 88 -17.053 -17.269 31.042 1.00 44.41 H new ATOM 0 HE2 LYS A 88 -16.456 -16.865 33.401 1.00 74.40 H new ATOM 0 HE3 LYS A 88 -17.635 -15.573 33.510 1.00 74.40 H new ATOM 0 HZ1 LYS A 88 -18.519 -17.640 34.370 1.00 13.01 H new ATOM 0 HZ2 LYS A 88 -19.386 -17.164 32.990 1.00 13.01 H new ATOM 0 HZ3 LYS A 88 -18.244 -18.416 32.885 1.00 13.01 H new ATOM 1396 N GLN A 89 -14.979 -12.113 30.640 1.00 5.04 N ATOM 1397 CA GLN A 89 -15.033 -10.775 31.187 1.00 61.55 C ATOM 1398 C GLN A 89 -14.685 -9.666 30.219 1.00 63.31 C ATOM 1399 O GLN A 89 -15.404 -8.671 30.189 1.00 30.03 O ATOM 1400 CB GLN A 89 -14.174 -10.643 32.466 1.00 71.34 C ATOM 1401 CG GLN A 89 -14.140 -9.216 33.052 1.00 40.51 C ATOM 1402 CD GLN A 89 -13.648 -9.178 34.497 1.00 2.33 C ATOM 1403 OE1 GLN A 89 -14.340 -8.711 35.403 1.00 14.14 O ATOM 1404 NE2 GLN A 89 -12.411 -9.682 34.725 1.00 13.44 N ATOM 0 H GLN A 89 -14.299 -12.712 31.108 1.00 5.04 H new ATOM 0 HA GLN A 89 -16.086 -10.639 31.431 1.00 61.55 H new ATOM 0 HB2 GLN A 89 -14.559 -11.327 33.223 1.00 71.34 H new ATOM 0 HB3 GLN A 89 -13.155 -10.957 32.241 1.00 71.34 H new ATOM 0 HG2 GLN A 89 -13.492 -8.591 32.437 1.00 40.51 H new ATOM 0 HG3 GLN A 89 -15.140 -8.785 33.003 1.00 40.51 H new ATOM 0 HE21 GLN A 89 -11.864 -10.061 33.952 1.00 13.44 H new ATOM 0 HE22 GLN A 89 -12.027 -9.682 35.670 1.00 13.44 H new ATOM 1413 N LEU A 90 -13.637 -9.771 29.364 1.00 1.11 N ATOM 1414 CA LEU A 90 -13.358 -8.754 28.390 1.00 52.33 C ATOM 1415 C LEU A 90 -14.484 -8.608 27.371 1.00 64.02 C ATOM 1416 O LEU A 90 -14.916 -7.505 27.039 1.00 73.42 O ATOM 1417 CB LEU A 90 -12.015 -9.071 27.704 1.00 32.32 C ATOM 1418 CG LEU A 90 -10.716 -8.974 28.550 1.00 32.33 C ATOM 1419 CD1 LEU A 90 -9.474 -9.262 27.674 1.00 51.13 C ATOM 1420 CD2 LEU A 90 -10.512 -7.655 29.317 1.00 1.01 C ATOM 0 H LEU A 90 -12.988 -10.558 29.351 1.00 1.11 H new ATOM 0 HA LEU A 90 -13.287 -7.793 28.900 1.00 52.33 H new ATOM 0 HB2 LEU A 90 -12.077 -10.083 27.304 1.00 32.32 H new ATOM 0 HB3 LEU A 90 -11.909 -8.398 26.853 1.00 32.32 H new ATOM 0 HG LEU A 90 -10.840 -9.737 29.319 1.00 32.33 H new ATOM 0 HD11 LEU A 90 -8.574 -9.189 28.284 1.00 51.13 H new ATOM 0 HD12 LEU A 90 -9.549 -10.266 27.255 1.00 51.13 H new ATOM 0 HD13 LEU A 90 -9.423 -8.534 26.864 1.00 51.13 H new ATOM 0 HD21 LEU A 90 -9.575 -7.698 29.872 1.00 1.01 H new ATOM 0 HD22 LEU A 90 -10.478 -6.825 28.611 1.00 1.01 H new ATOM 0 HD23 LEU A 90 -11.339 -7.506 30.012 1.00 1.01 H new ATOM 1432 N LEU A 91 -15.048 -9.737 26.904 1.00 72.54 N ATOM 1433 CA LEU A 91 -16.228 -9.746 26.059 1.00 15.11 C ATOM 1434 C LEU A 91 -17.464 -9.182 26.787 1.00 12.12 C ATOM 1435 O LEU A 91 -18.235 -8.414 26.214 1.00 63.54 O ATOM 1436 CB LEU A 91 -16.438 -11.189 25.529 1.00 34.31 C ATOM 1437 CG LEU A 91 -15.331 -11.649 24.541 1.00 60.53 C ATOM 1438 CD1 LEU A 91 -15.052 -13.151 24.641 1.00 74.02 C ATOM 1439 CD2 LEU A 91 -15.694 -11.334 23.088 1.00 64.34 C ATOM 0 H LEU A 91 -14.686 -10.668 27.111 1.00 72.54 H new ATOM 0 HA LEU A 91 -16.080 -9.080 25.209 1.00 15.11 H new ATOM 0 HB2 LEU A 91 -16.470 -11.877 26.373 1.00 34.31 H new ATOM 0 HB3 LEU A 91 -17.406 -11.249 25.032 1.00 34.31 H new ATOM 0 HG LEU A 91 -14.439 -11.092 24.829 1.00 60.53 H new ATOM 0 HD11 LEU A 91 -14.271 -13.424 23.931 1.00 74.02 H new ATOM 0 HD12 LEU A 91 -14.724 -13.394 25.652 1.00 74.02 H new ATOM 0 HD13 LEU A 91 -15.961 -13.706 24.411 1.00 74.02 H new ATOM 0 HD21 LEU A 91 -14.893 -11.672 22.431 1.00 64.34 H new ATOM 0 HD22 LEU A 91 -16.619 -11.846 22.825 1.00 64.34 H new ATOM 0 HD23 LEU A 91 -15.829 -10.259 22.972 1.00 64.34 H new ATOM 1451 N ASP A 92 -17.659 -9.503 28.094 1.00 32.23 N ATOM 1452 CA ASP A 92 -18.724 -8.968 28.933 1.00 35.30 C ATOM 1453 C ASP A 92 -18.602 -7.455 29.144 1.00 13.12 C ATOM 1454 O ASP A 92 -19.600 -6.748 29.044 1.00 50.12 O ATOM 1455 CB ASP A 92 -18.753 -9.721 30.296 1.00 31.41 C ATOM 1456 CG ASP A 92 -19.965 -9.378 31.160 1.00 33.00 C ATOM 1457 OD1 ASP A 92 -21.105 -9.642 30.700 1.00 32.10 O ATOM 1458 OD2 ASP A 92 -19.752 -8.869 32.291 1.00 13.13 O ATOM 0 H ASP A 92 -17.055 -10.159 28.590 1.00 32.23 H new ATOM 0 HA ASP A 92 -19.667 -9.131 28.412 1.00 35.30 H new ATOM 0 HB2 ASP A 92 -18.744 -10.795 30.108 1.00 31.41 H new ATOM 0 HB3 ASP A 92 -17.844 -9.486 30.850 1.00 31.41 H new ATOM 1463 N ILE A 93 -17.377 -6.917 29.390 1.00 23.42 N ATOM 1464 CA ILE A 93 -17.108 -5.479 29.503 1.00 72.12 C ATOM 1465 C ILE A 93 -17.488 -4.783 28.221 1.00 33.32 C ATOM 1466 O ILE A 93 -18.160 -3.755 28.245 1.00 53.12 O ATOM 1467 CB ILE A 93 -15.635 -5.131 29.755 1.00 20.04 C ATOM 1468 CG1 ILE A 93 -15.130 -5.543 31.155 1.00 12.12 C ATOM 1469 CG2 ILE A 93 -15.364 -3.621 29.549 1.00 4.03 C ATOM 1470 CD1 ILE A 93 -13.594 -5.506 31.304 1.00 24.12 C ATOM 0 H ILE A 93 -16.543 -7.490 29.516 1.00 23.42 H new ATOM 0 HA ILE A 93 -17.697 -5.152 30.360 1.00 72.12 H new ATOM 0 HB ILE A 93 -15.081 -5.714 29.019 1.00 20.04 H new ATOM 0 HG12 ILE A 93 -15.573 -4.881 31.899 1.00 12.12 H new ATOM 0 HG13 ILE A 93 -15.482 -6.551 31.375 1.00 12.12 H new ATOM 0 HG21 ILE A 93 -14.311 -3.412 29.736 1.00 4.03 H new ATOM 0 HG22 ILE A 93 -15.613 -3.343 28.525 1.00 4.03 H new ATOM 0 HG23 ILE A 93 -15.977 -3.044 30.241 1.00 4.03 H new ATOM 0 HD11 ILE A 93 -13.319 -5.808 32.315 1.00 24.12 H new ATOM 0 HD12 ILE A 93 -13.142 -6.190 30.585 1.00 24.12 H new ATOM 0 HD13 ILE A 93 -13.235 -4.494 31.118 1.00 24.12 H new ATOM 1482 N LYS A 94 -17.101 -5.354 27.058 1.00 4.33 N ATOM 1483 CA LYS A 94 -17.393 -4.774 25.771 1.00 11.35 C ATOM 1484 C LYS A 94 -18.862 -4.634 25.552 1.00 24.12 C ATOM 1485 O LYS A 94 -19.367 -3.539 25.334 1.00 42.34 O ATOM 1486 CB LYS A 94 -16.849 -5.674 24.626 1.00 70.34 C ATOM 1487 CG LYS A 94 -17.299 -5.179 23.249 1.00 25.24 C ATOM 1488 CD LYS A 94 -16.879 -5.980 22.015 1.00 30.23 C ATOM 1489 CE LYS A 94 -17.657 -5.362 20.860 1.00 71.10 C ATOM 1490 NZ LYS A 94 -16.991 -5.545 19.565 1.00 72.14 N ATOM 0 H LYS A 94 -16.579 -6.229 27.008 1.00 4.33 H new ATOM 0 HA LYS A 94 -16.916 -3.794 25.761 1.00 11.35 H new ATOM 0 HB2 LYS A 94 -15.760 -5.695 24.666 1.00 70.34 H new ATOM 0 HB3 LYS A 94 -17.193 -6.698 24.774 1.00 70.34 H new ATOM 0 HG2 LYS A 94 -18.388 -5.125 23.255 1.00 25.24 H new ATOM 0 HG3 LYS A 94 -16.930 -4.161 23.125 1.00 25.24 H new ATOM 0 HD2 LYS A 94 -15.804 -5.912 21.848 1.00 30.23 H new ATOM 0 HD3 LYS A 94 -17.118 -7.037 22.131 1.00 30.23 H new ATOM 0 HE2 LYS A 94 -18.651 -5.807 20.818 1.00 71.10 H new ATOM 0 HE3 LYS A 94 -17.792 -4.297 21.047 1.00 71.10 H new ATOM 0 HZ1 LYS A 94 -17.378 -4.868 18.877 1.00 72.14 H new ATOM 0 HZ2 LYS A 94 -15.970 -5.382 19.674 1.00 72.14 H new ATOM 0 HZ3 LYS A 94 -17.152 -6.515 19.226 1.00 72.14 H new ATOM 1504 N HIS A 95 -19.625 -5.720 25.702 1.00 1.24 N ATOM 1505 CA HIS A 95 -21.021 -5.652 25.369 1.00 55.43 C ATOM 1506 C HIS A 95 -21.803 -4.877 26.411 1.00 31.54 C ATOM 1507 O HIS A 95 -22.828 -4.281 26.094 1.00 2.35 O ATOM 1508 CB HIS A 95 -21.568 -7.066 25.168 1.00 21.11 C ATOM 1509 CG HIS A 95 -21.046 -7.657 23.887 1.00 60.00 C ATOM 1510 ND1 HIS A 95 -21.541 -7.250 22.679 1.00 71.52 N ATOM 1511 CD2 HIS A 95 -20.017 -8.496 23.626 1.00 42.13 C ATOM 1512 CE1 HIS A 95 -20.841 -7.819 21.717 1.00 4.40 C ATOM 1513 NE2 HIS A 95 -19.909 -8.577 22.264 1.00 11.24 N ATOM 0 H HIS A 95 -19.298 -6.624 26.043 1.00 1.24 H new ATOM 0 HA HIS A 95 -21.137 -5.105 24.433 1.00 55.43 H new ATOM 0 HB2 HIS A 95 -21.281 -7.696 26.010 1.00 21.11 H new ATOM 0 HB3 HIS A 95 -22.657 -7.041 25.146 1.00 21.11 H new ATOM 0 HD2 HIS A 95 -19.400 -9.004 24.352 1.00 42.13 H new ATOM 0 HE1 HIS A 95 -21.003 -7.687 20.657 1.00 4.40 H new ATOM 0 HE2 HIS A 95 -19.221 -9.132 21.755 1.00 11.24 H new ATOM 1522 N SER A 96 -21.297 -4.815 27.672 1.00 20.13 N ATOM 1523 CA SER A 96 -21.848 -3.950 28.713 1.00 4.42 C ATOM 1524 C SER A 96 -21.685 -2.481 28.367 1.00 3.21 C ATOM 1525 O SER A 96 -22.595 -1.665 28.490 1.00 53.45 O ATOM 1526 CB SER A 96 -21.156 -4.227 30.073 1.00 64.24 C ATOM 1527 OG SER A 96 -21.727 -3.488 31.153 1.00 73.40 O ATOM 0 H SER A 96 -20.497 -5.368 27.980 1.00 20.13 H new ATOM 0 HA SER A 96 -22.912 -4.175 28.785 1.00 4.42 H new ATOM 0 HB2 SER A 96 -21.219 -5.292 30.296 1.00 64.24 H new ATOM 0 HB3 SER A 96 -20.097 -3.981 29.992 1.00 64.24 H new ATOM 0 HG SER A 96 -21.253 -3.703 31.983 1.00 73.40 H new ATOM 1533 N CYS A 97 -20.487 -2.125 27.872 1.00 54.04 N ATOM 1534 CA CYS A 97 -20.139 -0.793 27.437 1.00 25.13 C ATOM 1535 C CYS A 97 -20.878 -0.318 26.212 1.00 31.00 C ATOM 1536 O CYS A 97 -21.180 0.863 26.090 1.00 4.13 O ATOM 1537 CB CYS A 97 -18.618 -0.631 27.252 1.00 41.12 C ATOM 1538 SG CYS A 97 -17.689 -0.293 28.769 1.00 33.21 S ATOM 0 H CYS A 97 -19.721 -2.790 27.767 1.00 54.04 H new ATOM 0 HA CYS A 97 -20.469 -0.146 28.250 1.00 25.13 H new ATOM 0 HB2 CYS A 97 -18.224 -1.541 26.799 1.00 41.12 H new ATOM 0 HB3 CYS A 97 -18.438 0.180 26.546 1.00 41.12 H new ATOM 1543 N GLU A 98 -21.226 -1.230 25.285 1.00 10.32 N ATOM 1544 CA GLU A 98 -21.917 -0.935 24.032 1.00 63.25 C ATOM 1545 C GLU A 98 -23.283 -0.327 24.259 1.00 31.03 C ATOM 1546 O GLU A 98 -23.814 0.401 23.428 1.00 32.45 O ATOM 1547 CB GLU A 98 -22.060 -2.230 23.196 1.00 42.40 C ATOM 1548 CG GLU A 98 -20.703 -2.725 22.645 1.00 62.12 C ATOM 1549 CD GLU A 98 -20.280 -2.021 21.354 1.00 74.32 C ATOM 1550 OE1 GLU A 98 -20.084 -0.781 21.375 1.00 55.22 O ATOM 1551 OE2 GLU A 98 -20.152 -2.736 20.325 1.00 12.33 O ATOM 0 H GLU A 98 -21.024 -2.223 25.399 1.00 10.32 H new ATOM 0 HA GLU A 98 -21.315 -0.203 23.494 1.00 63.25 H new ATOM 0 HB2 GLU A 98 -22.506 -3.011 23.813 1.00 42.40 H new ATOM 0 HB3 GLU A 98 -22.743 -2.050 22.366 1.00 42.40 H new ATOM 0 HG2 GLU A 98 -19.934 -2.573 23.402 1.00 62.12 H new ATOM 0 HG3 GLU A 98 -20.763 -3.798 22.463 1.00 62.12 H new ATOM 1558 N LYS A 99 -23.873 -0.645 25.418 1.00 31.42 N ATOM 1559 CA LYS A 99 -25.167 -0.196 25.862 1.00 1.54 C ATOM 1560 C LYS A 99 -25.081 1.233 26.363 1.00 14.32 C ATOM 1561 O LYS A 99 -25.966 2.049 26.118 1.00 63.14 O ATOM 1562 CB LYS A 99 -25.618 -1.108 27.024 1.00 23.01 C ATOM 1563 CG LYS A 99 -25.788 -2.582 26.619 1.00 53.32 C ATOM 1564 CD LYS A 99 -25.756 -3.536 27.830 1.00 53.10 C ATOM 1565 CE LYS A 99 -27.091 -4.199 28.174 1.00 5.41 C ATOM 1566 NZ LYS A 99 -28.067 -3.191 28.631 1.00 12.14 N ATOM 0 H LYS A 99 -23.422 -1.257 26.098 1.00 31.42 H new ATOM 0 HA LYS A 99 -25.876 -0.239 25.035 1.00 1.54 H new ATOM 0 HB2 LYS A 99 -24.887 -1.043 27.830 1.00 23.01 H new ATOM 0 HB3 LYS A 99 -26.563 -0.737 27.420 1.00 23.01 H new ATOM 0 HG2 LYS A 99 -26.733 -2.703 26.090 1.00 53.32 H new ATOM 0 HG3 LYS A 99 -24.996 -2.858 25.923 1.00 53.32 H new ATOM 0 HD2 LYS A 99 -25.020 -4.317 27.638 1.00 53.10 H new ATOM 0 HD3 LYS A 99 -25.410 -2.980 28.701 1.00 53.10 H new ATOM 0 HE2 LYS A 99 -27.481 -4.721 27.300 1.00 5.41 H new ATOM 0 HE3 LYS A 99 -26.942 -4.948 28.952 1.00 5.41 H new ATOM 0 HZ1 LYS A 99 -28.967 -3.658 28.860 1.00 12.14 H new ATOM 0 HZ2 LYS A 99 -27.700 -2.712 29.478 1.00 12.14 H new ATOM 0 HZ3 LYS A 99 -28.222 -2.491 27.877 1.00 12.14 H new ATOM 1580 N VAL A 100 -24.010 1.535 27.138 1.00 3.43 N ATOM 1581 CA VAL A 100 -23.867 2.795 27.848 1.00 12.05 C ATOM 1582 C VAL A 100 -23.296 3.891 26.970 1.00 14.23 C ATOM 1583 O VAL A 100 -23.650 5.060 27.108 1.00 32.42 O ATOM 1584 CB VAL A 100 -23.050 2.682 29.141 1.00 3.11 C ATOM 1585 CG1 VAL A 100 -23.727 1.625 30.029 1.00 72.42 C ATOM 1586 CG2 VAL A 100 -21.565 2.365 28.928 1.00 10.45 C ATOM 0 H VAL A 100 -23.227 0.897 27.278 1.00 3.43 H new ATOM 0 HA VAL A 100 -24.884 3.068 28.130 1.00 12.05 H new ATOM 0 HB VAL A 100 -23.045 3.660 29.623 1.00 3.11 H new ATOM 0 HG11 VAL A 100 -23.169 1.520 30.959 1.00 72.42 H new ATOM 0 HG12 VAL A 100 -24.748 1.936 30.251 1.00 72.42 H new ATOM 0 HG13 VAL A 100 -23.745 0.668 29.507 1.00 72.42 H new ATOM 0 HG21 VAL A 100 -21.064 2.303 29.894 1.00 10.45 H new ATOM 0 HG22 VAL A 100 -21.467 1.413 28.407 1.00 10.45 H new ATOM 0 HG23 VAL A 100 -21.107 3.154 28.331 1.00 10.45 H new ATOM 1596 N ILE A 101 -22.378 3.532 26.043 1.00 70.40 N ATOM 1597 CA ILE A 101 -21.768 4.472 25.116 1.00 4.44 C ATOM 1598 C ILE A 101 -22.706 4.972 24.034 1.00 64.24 C ATOM 1599 O ILE A 101 -23.667 4.318 23.633 1.00 72.32 O ATOM 1600 CB ILE A 101 -20.520 3.947 24.421 1.00 42.43 C ATOM 1601 CG1 ILE A 101 -20.767 2.684 23.564 1.00 14.33 C ATOM 1602 CG2 ILE A 101 -19.409 3.720 25.466 1.00 42.22 C ATOM 1603 CD1 ILE A 101 -20.127 2.776 22.183 1.00 20.23 C ATOM 0 H ILE A 101 -22.048 2.574 25.929 1.00 70.40 H new ATOM 0 HA ILE A 101 -21.497 5.294 25.778 1.00 4.44 H new ATOM 0 HB ILE A 101 -20.201 4.708 23.708 1.00 42.43 H new ATOM 0 HG12 ILE A 101 -20.372 1.813 24.086 1.00 14.33 H new ATOM 0 HG13 ILE A 101 -21.840 2.529 23.453 1.00 14.33 H new ATOM 0 HG21 ILE A 101 -18.514 3.344 24.970 1.00 42.22 H new ATOM 0 HG22 ILE A 101 -19.179 4.662 25.963 1.00 42.22 H new ATOM 0 HG23 ILE A 101 -19.747 2.993 26.204 1.00 42.22 H new ATOM 0 HD11 ILE A 101 -20.332 1.862 21.625 1.00 20.23 H new ATOM 0 HD12 ILE A 101 -20.541 3.630 21.646 1.00 20.23 H new ATOM 0 HD13 ILE A 101 -19.049 2.902 22.289 1.00 20.23 H new ATOM 1615 N THR A 102 -22.408 6.174 23.489 1.00 51.41 N ATOM 1616 CA THR A 102 -23.014 6.618 22.244 1.00 53.10 C ATOM 1617 C THR A 102 -22.559 5.780 21.070 1.00 52.30 C ATOM 1618 O THR A 102 -21.372 5.689 20.755 1.00 12.03 O ATOM 1619 CB THR A 102 -22.774 8.091 21.926 1.00 15.30 C ATOM 1620 OG1 THR A 102 -23.349 8.908 22.935 1.00 72.10 O ATOM 1621 CG2 THR A 102 -23.357 8.507 20.558 1.00 30.34 C ATOM 0 H THR A 102 -21.754 6.840 23.900 1.00 51.41 H new ATOM 0 HA THR A 102 -24.085 6.488 22.401 1.00 53.10 H new ATOM 0 HB THR A 102 -21.694 8.230 21.888 1.00 15.30 H new ATOM 0 HG1 THR A 102 -23.188 9.851 22.723 1.00 72.10 H new ATOM 0 HG21 THR A 102 -23.157 9.564 20.384 1.00 30.34 H new ATOM 0 HG22 THR A 102 -22.892 7.915 19.769 1.00 30.34 H new ATOM 0 HG23 THR A 102 -24.433 8.336 20.554 1.00 30.34 H new ATOM 1629 N ILE A 103 -23.559 5.204 20.374 1.00 73.24 N ATOM 1630 CA ILE A 103 -23.492 4.474 19.150 1.00 14.34 C ATOM 1631 C ILE A 103 -24.014 5.429 18.140 1.00 65.33 C ATOM 1632 O ILE A 103 -25.051 6.065 18.330 1.00 54.42 O ATOM 1633 CB ILE A 103 -24.347 3.220 19.088 1.00 62.54 C ATOM 1634 CG1 ILE A 103 -23.888 2.223 20.173 1.00 14.21 C ATOM 1635 CG2 ILE A 103 -24.386 2.625 17.649 1.00 53.05 C ATOM 1636 CD1 ILE A 103 -24.680 0.923 20.143 1.00 73.32 C ATOM 0 H ILE A 103 -24.519 5.260 20.713 1.00 73.24 H new ATOM 0 HA ILE A 103 -22.470 4.124 19.005 1.00 14.34 H new ATOM 0 HB ILE A 103 -25.384 3.471 19.311 1.00 62.54 H new ATOM 0 HG12 ILE A 103 -22.829 2.003 20.035 1.00 14.21 H new ATOM 0 HG13 ILE A 103 -23.992 2.686 21.154 1.00 14.21 H new ATOM 0 HG21 ILE A 103 -25.007 1.729 17.642 1.00 53.05 H new ATOM 0 HG22 ILE A 103 -24.804 3.361 16.962 1.00 53.05 H new ATOM 0 HG23 ILE A 103 -23.375 2.368 17.334 1.00 53.05 H new ATOM 0 HD11 ILE A 103 -24.317 0.258 20.926 1.00 73.32 H new ATOM 0 HD12 ILE A 103 -25.736 1.136 20.309 1.00 73.32 H new ATOM 0 HD13 ILE A 103 -24.555 0.443 19.172 1.00 73.32 H new ATOM 1648 N VAL A 104 -23.286 5.552 17.033 1.00 50.41 N ATOM 1649 CA VAL A 104 -23.699 6.403 15.966 1.00 30.32 C ATOM 1650 C VAL A 104 -24.033 5.492 14.809 1.00 10.35 C ATOM 1651 O VAL A 104 -23.236 4.654 14.392 1.00 51.25 O ATOM 1652 CB VAL A 104 -22.612 7.306 15.514 1.00 3.30 C ATOM 1653 CG1 VAL A 104 -23.074 8.301 14.496 1.00 21.53 C ATOM 1654 CG2 VAL A 104 -21.868 8.022 16.631 1.00 3.11 C ATOM 0 H VAL A 104 -22.406 5.063 16.869 1.00 50.41 H new ATOM 0 HA VAL A 104 -24.533 7.019 16.302 1.00 30.32 H new ATOM 0 HB VAL A 104 -21.898 6.625 15.050 1.00 3.30 H new ATOM 0 HG11 VAL A 104 -22.238 8.935 14.201 1.00 21.53 H new ATOM 0 HG12 VAL A 104 -23.457 7.775 13.621 1.00 21.53 H new ATOM 0 HG13 VAL A 104 -23.864 8.918 14.923 1.00 21.53 H new ATOM 0 HG21 VAL A 104 -21.093 8.658 16.203 1.00 3.11 H new ATOM 0 HG22 VAL A 104 -22.568 8.635 17.200 1.00 3.11 H new ATOM 0 HG23 VAL A 104 -21.409 7.287 17.292 1.00 3.11 H new ATOM 1664 N ALA A 105 -25.230 5.667 14.241 1.00 52.23 N ATOM 1665 CA ALA A 105 -25.644 5.024 13.015 1.00 22.31 C ATOM 1666 C ALA A 105 -24.833 5.428 11.793 1.00 5.00 C ATOM 1667 O ALA A 105 -24.410 4.598 10.994 1.00 5.42 O ATOM 1668 CB ALA A 105 -27.127 5.326 12.739 1.00 73.51 C ATOM 0 H ALA A 105 -25.946 6.275 14.639 1.00 52.23 H new ATOM 0 HA ALA A 105 -25.474 3.959 13.173 1.00 22.31 H new ATOM 0 HB1 ALA A 105 -27.432 4.838 11.813 1.00 73.51 H new ATOM 0 HB2 ALA A 105 -27.734 4.952 13.563 1.00 73.51 H new ATOM 0 HB3 ALA A 105 -27.268 6.403 12.645 1.00 73.51 H new ATOM 1674 N ASP A 106 -24.593 6.747 11.646 1.00 33.42 N ATOM 1675 CA ASP A 106 -23.797 7.351 10.598 1.00 43.03 C ATOM 1676 C ASP A 106 -22.324 6.965 10.619 1.00 21.42 C ATOM 1677 O ASP A 106 -21.691 6.848 9.573 1.00 12.30 O ATOM 1678 CB ASP A 106 -23.926 8.895 10.653 1.00 42.41 C ATOM 1679 CG ASP A 106 -25.344 9.318 10.288 1.00 4.03 C ATOM 1680 OD1 ASP A 106 -25.739 9.119 9.112 1.00 61.10 O ATOM 1681 OD2 ASP A 106 -26.042 9.832 11.200 1.00 2.33 O ATOM 0 H ASP A 106 -24.974 7.438 12.293 1.00 33.42 H new ATOM 0 HA ASP A 106 -24.201 6.958 9.665 1.00 43.03 H new ATOM 0 HB2 ASP A 106 -23.678 9.253 11.652 1.00 42.41 H new ATOM 0 HB3 ASP A 106 -23.214 9.351 9.965 1.00 42.41 H new ATOM 1686 N ASP A 107 -21.733 6.841 11.824 1.00 52.33 N ATOM 1687 CA ASP A 107 -20.299 6.856 11.998 1.00 61.24 C ATOM 1688 C ASP A 107 -19.886 5.663 12.859 1.00 3.11 C ATOM 1689 O ASP A 107 -19.950 5.793 14.081 1.00 23.03 O ATOM 1690 CB ASP A 107 -19.879 8.182 12.694 1.00 63.14 C ATOM 1691 CG ASP A 107 -18.372 8.374 12.705 1.00 41.31 C ATOM 1692 OD1 ASP A 107 -17.785 8.509 11.602 1.00 44.21 O ATOM 1693 OD2 ASP A 107 -17.791 8.334 13.820 1.00 4.44 O ATOM 0 H ASP A 107 -22.253 6.728 12.694 1.00 52.33 H new ATOM 0 HA ASP A 107 -19.806 6.789 11.028 1.00 61.24 H new ATOM 0 HB2 ASP A 107 -20.347 9.023 12.182 1.00 63.14 H new ATOM 0 HB3 ASP A 107 -20.251 8.186 13.718 1.00 63.14 H new ATOM 1698 N PRO A 108 -19.408 4.526 12.372 1.00 35.11 N ATOM 1699 CA PRO A 108 -19.007 3.412 13.233 1.00 14.54 C ATOM 1700 C PRO A 108 -17.761 3.722 14.049 1.00 54.12 C ATOM 1701 O PRO A 108 -17.445 2.975 14.975 1.00 32.31 O ATOM 1702 CB PRO A 108 -18.769 2.265 12.235 1.00 71.12 C ATOM 1703 CG PRO A 108 -18.366 2.968 10.935 1.00 64.21 C ATOM 1704 CD PRO A 108 -19.248 4.217 10.947 1.00 21.13 C ATOM 0 HA PRO A 108 -19.759 3.176 13.986 1.00 14.54 H new ATOM 0 HB2 PRO A 108 -17.985 1.592 12.582 1.00 71.12 H new ATOM 0 HB3 PRO A 108 -19.668 1.664 12.099 1.00 71.12 H new ATOM 0 HG2 PRO A 108 -17.306 3.220 10.922 1.00 64.21 H new ATOM 0 HG3 PRO A 108 -18.556 2.345 10.061 1.00 64.21 H new ATOM 0 HD2 PRO A 108 -18.779 5.042 10.410 1.00 21.13 H new ATOM 0 HD3 PRO A 108 -20.210 4.031 10.469 1.00 21.13 H new ATOM 1712 N CYS A 109 -17.023 4.799 13.701 1.00 41.52 N ATOM 1713 CA CYS A 109 -15.763 5.170 14.299 1.00 21.04 C ATOM 1714 C CYS A 109 -15.963 5.665 15.724 1.00 53.24 C ATOM 1715 O CYS A 109 -15.281 5.225 16.646 1.00 54.34 O ATOM 1716 CB CYS A 109 -15.070 6.246 13.430 1.00 11.14 C ATOM 1717 SG CYS A 109 -14.775 5.653 11.728 1.00 24.42 S ATOM 0 H CYS A 109 -17.317 5.444 12.967 1.00 41.52 H new ATOM 0 HA CYS A 109 -15.122 4.290 14.345 1.00 21.04 H new ATOM 0 HB2 CYS A 109 -15.688 7.143 13.401 1.00 11.14 H new ATOM 0 HB3 CYS A 109 -14.121 6.527 13.887 1.00 11.14 H new ATOM 1722 N GLN A 110 -16.975 6.537 15.960 1.00 72.50 N ATOM 1723 CA GLN A 110 -17.393 6.958 17.290 1.00 22.41 C ATOM 1724 C GLN A 110 -17.866 5.800 18.125 1.00 14.11 C ATOM 1725 O GLN A 110 -17.420 5.657 19.256 1.00 62.34 O ATOM 1726 CB GLN A 110 -18.529 8.017 17.235 1.00 52.34 C ATOM 1727 CG GLN A 110 -18.176 9.399 17.835 1.00 2.45 C ATOM 1728 CD GLN A 110 -17.459 10.287 16.827 1.00 61.01 C ATOM 1729 OE1 GLN A 110 -16.382 9.730 16.227 1.00 13.42 O flip ATOM 1730 NE2 GLN A 110 -17.865 11.417 16.550 1.00 71.33 N flip ATOM 0 H GLN A 110 -17.521 6.964 15.212 1.00 72.50 H new ATOM 0 HA GLN A 110 -16.508 7.399 17.749 1.00 22.41 H new ATOM 0 HB2 GLN A 110 -18.824 8.156 16.195 1.00 52.34 H new ATOM 0 HB3 GLN A 110 -19.397 7.622 17.762 1.00 52.34 H new ATOM 0 HG2 GLN A 110 -19.088 9.893 18.171 1.00 2.45 H new ATOM 0 HG3 GLN A 110 -17.545 9.263 18.713 1.00 2.45 H new ATOM 0 HE21 GLN A 110 -18.682 11.797 17.028 1.00 71.33 H new ATOM 0 HE22 GLN A 110 -17.384 11.972 15.842 1.00 71.33 H new ATOM 1739 N THR A 111 -18.701 4.896 17.560 1.00 50.33 N ATOM 1740 CA THR A 111 -19.133 3.689 18.266 1.00 44.15 C ATOM 1741 C THR A 111 -17.944 2.844 18.722 1.00 2.20 C ATOM 1742 O THR A 111 -17.879 2.452 19.883 1.00 42.34 O ATOM 1743 CB THR A 111 -20.018 2.787 17.420 1.00 1.42 C ATOM 1744 OG1 THR A 111 -21.154 3.505 16.958 1.00 10.45 O ATOM 1745 CG2 THR A 111 -20.508 1.566 18.239 1.00 33.33 C ATOM 0 H THR A 111 -19.083 4.989 16.619 1.00 50.33 H new ATOM 0 HA THR A 111 -19.700 4.060 19.120 1.00 44.15 H new ATOM 0 HB THR A 111 -19.424 2.441 16.574 1.00 1.42 H new ATOM 0 HG1 THR A 111 -21.537 3.046 16.181 1.00 10.45 H new ATOM 0 HG21 THR A 111 -21.139 0.937 17.612 1.00 33.33 H new ATOM 0 HG22 THR A 111 -19.649 0.990 18.583 1.00 33.33 H new ATOM 0 HG23 THR A 111 -21.081 1.911 19.099 1.00 33.33 H new ATOM 1753 N MET A 112 -16.936 2.596 17.850 1.00 50.23 N ATOM 1754 CA MET A 112 -15.746 1.849 18.229 1.00 42.55 C ATOM 1755 C MET A 112 -14.879 2.556 19.270 1.00 54.55 C ATOM 1756 O MET A 112 -14.494 1.970 20.278 1.00 52.50 O ATOM 1757 CB MET A 112 -14.843 1.575 17.000 1.00 31.11 C ATOM 1758 CG MET A 112 -13.709 0.572 17.273 1.00 74.13 C ATOM 1759 SD MET A 112 -14.288 -1.118 17.632 1.00 25.45 S ATOM 1760 CE MET A 112 -13.380 -1.339 19.191 1.00 52.31 C ATOM 0 H MET A 112 -16.939 2.910 16.880 1.00 50.23 H new ATOM 0 HA MET A 112 -16.131 0.925 18.660 1.00 42.55 H new ATOM 0 HB2 MET A 112 -15.460 1.198 16.184 1.00 31.11 H new ATOM 0 HB3 MET A 112 -14.409 2.516 16.663 1.00 31.11 H new ATOM 0 HG2 MET A 112 -13.047 0.543 16.407 1.00 74.13 H new ATOM 0 HG3 MET A 112 -13.116 0.929 18.115 1.00 74.13 H new ATOM 0 HE1 MET A 112 -13.591 -2.328 19.598 1.00 52.31 H new ATOM 0 HE2 MET A 112 -12.310 -1.243 19.006 1.00 52.31 H new ATOM 0 HE3 MET A 112 -13.694 -0.578 19.906 1.00 52.31 H new ATOM 1770 N LEU A 113 -14.564 3.854 19.057 1.00 1.31 N ATOM 1771 CA LEU A 113 -13.705 4.657 19.924 1.00 1.33 C ATOM 1772 C LEU A 113 -14.314 4.909 21.281 1.00 63.00 C ATOM 1773 O LEU A 113 -13.668 4.703 22.308 1.00 63.13 O ATOM 1774 CB LEU A 113 -13.401 5.970 19.179 1.00 5.34 C ATOM 1775 CG LEU A 113 -12.278 6.940 19.628 1.00 70.20 C ATOM 1776 CD1 LEU A 113 -12.594 8.405 19.257 1.00 64.34 C ATOM 1777 CD2 LEU A 113 -11.666 6.779 21.018 1.00 41.32 C ATOM 0 H LEU A 113 -14.915 4.375 18.254 1.00 1.31 H new ATOM 0 HA LEU A 113 -12.784 4.112 20.130 1.00 1.33 H new ATOM 0 HB2 LEU A 113 -13.185 5.700 18.145 1.00 5.34 H new ATOM 0 HB3 LEU A 113 -14.326 6.546 19.171 1.00 5.34 H new ATOM 0 HG LEU A 113 -11.439 6.594 19.024 1.00 70.20 H new ATOM 0 HD11 LEU A 113 -11.780 9.049 19.591 1.00 64.34 H new ATOM 0 HD12 LEU A 113 -12.704 8.491 18.176 1.00 64.34 H new ATOM 0 HD13 LEU A 113 -13.521 8.711 19.742 1.00 64.34 H new ATOM 0 HD21 LEU A 113 -10.898 7.538 21.167 1.00 41.32 H new ATOM 0 HD22 LEU A 113 -12.443 6.896 21.773 1.00 41.32 H new ATOM 0 HD23 LEU A 113 -11.220 5.788 21.107 1.00 41.32 H new ATOM 1789 N ASN A 114 -15.614 5.283 21.310 1.00 30.32 N ATOM 1790 CA ASN A 114 -16.366 5.525 22.535 1.00 3.11 C ATOM 1791 C ASN A 114 -16.437 4.244 23.343 1.00 3.31 C ATOM 1792 O ASN A 114 -16.271 4.247 24.562 1.00 23.21 O ATOM 1793 CB ASN A 114 -17.836 5.978 22.319 1.00 64.24 C ATOM 1794 CG ASN A 114 -17.936 7.378 21.717 1.00 11.32 C ATOM 1795 OD1 ASN A 114 -17.033 8.211 21.791 1.00 32.21 O ATOM 1796 ND2 ASN A 114 -19.115 7.647 21.093 1.00 53.40 N ATOM 0 H ASN A 114 -16.166 5.424 20.464 1.00 30.32 H new ATOM 0 HA ASN A 114 -15.831 6.332 23.036 1.00 3.11 H new ATOM 0 HB2 ASN A 114 -18.339 5.267 21.663 1.00 64.24 H new ATOM 0 HB3 ASN A 114 -18.362 5.958 23.273 1.00 64.24 H new ATOM 0 HD21 ASN A 114 -19.271 8.562 20.669 1.00 53.40 H new ATOM 0 HD22 ASN A 114 -19.843 6.934 21.049 1.00 53.40 H new ATOM 1803 N LEU A 115 -16.655 3.094 22.662 1.00 13.24 N ATOM 1804 CA LEU A 115 -16.619 1.795 23.290 1.00 11.20 C ATOM 1805 C LEU A 115 -15.271 1.464 23.847 1.00 53.44 C ATOM 1806 O LEU A 115 -15.155 1.012 24.978 1.00 34.54 O ATOM 1807 CB LEU A 115 -16.998 0.685 22.294 1.00 4.35 C ATOM 1808 CG LEU A 115 -16.985 -0.743 22.866 1.00 44.13 C ATOM 1809 CD1 LEU A 115 -15.623 -1.441 22.879 1.00 10.35 C ATOM 1810 CD2 LEU A 115 -17.752 -0.860 24.174 1.00 53.41 C ATOM 0 H LEU A 115 -16.859 3.064 21.663 1.00 13.24 H new ATOM 0 HA LEU A 115 -17.342 1.844 24.104 1.00 11.20 H new ATOM 0 HB2 LEU A 115 -17.994 0.894 21.904 1.00 4.35 H new ATOM 0 HB3 LEU A 115 -16.310 0.727 21.449 1.00 4.35 H new ATOM 0 HG LEU A 115 -17.542 -1.326 22.133 1.00 44.13 H new ATOM 0 HD11 LEU A 115 -15.730 -2.440 23.302 1.00 10.35 H new ATOM 0 HD12 LEU A 115 -15.243 -1.517 21.860 1.00 10.35 H new ATOM 0 HD13 LEU A 115 -14.924 -0.864 23.484 1.00 10.35 H new ATOM 0 HD21 LEU A 115 -17.709 -1.889 24.530 1.00 53.41 H new ATOM 0 HD22 LEU A 115 -17.306 -0.199 24.918 1.00 53.41 H new ATOM 0 HD23 LEU A 115 -18.792 -0.575 24.013 1.00 53.41 H new ATOM 1822 N ALA A 116 -14.215 1.691 23.053 1.00 43.41 N ATOM 1823 CA ALA A 116 -12.854 1.313 23.374 1.00 24.01 C ATOM 1824 C ALA A 116 -12.365 2.039 24.601 1.00 70.24 C ATOM 1825 O ALA A 116 -11.743 1.455 25.489 1.00 51.00 O ATOM 1826 CB ALA A 116 -11.892 1.592 22.204 1.00 14.22 C ATOM 0 H ALA A 116 -14.299 2.155 22.149 1.00 43.41 H new ATOM 0 HA ALA A 116 -12.865 0.240 23.568 1.00 24.01 H new ATOM 0 HB1 ALA A 116 -10.882 1.295 22.485 1.00 14.22 H new ATOM 0 HB2 ALA A 116 -12.208 1.023 21.330 1.00 14.22 H new ATOM 0 HB3 ALA A 116 -11.905 2.656 21.968 1.00 14.22 H new ATOM 1832 N MET A 117 -12.686 3.350 24.682 1.00 53.14 N ATOM 1833 CA MET A 117 -12.367 4.158 25.828 1.00 64.22 C ATOM 1834 C MET A 117 -13.232 3.785 27.045 1.00 31.23 C ATOM 1835 O MET A 117 -12.753 3.886 28.170 1.00 14.14 O ATOM 1836 CB MET A 117 -12.402 5.671 25.425 1.00 11.43 C ATOM 1837 CG MET A 117 -13.792 6.294 25.231 1.00 73.35 C ATOM 1838 SD MET A 117 -13.784 8.014 24.624 1.00 32.53 S ATOM 1839 CE MET A 117 -12.994 8.799 26.058 1.00 24.51 C ATOM 0 H MET A 117 -13.173 3.856 23.942 1.00 53.14 H new ATOM 0 HA MET A 117 -11.349 3.954 26.161 1.00 64.22 H new ATOM 0 HB2 MET A 117 -11.876 6.241 26.191 1.00 11.43 H new ATOM 0 HB3 MET A 117 -11.842 5.791 24.498 1.00 11.43 H new ATOM 0 HG2 MET A 117 -14.355 5.679 24.529 1.00 73.35 H new ATOM 0 HG3 MET A 117 -14.325 6.262 26.182 1.00 73.35 H new ATOM 0 HE1 MET A 117 -13.134 9.879 26.005 1.00 24.51 H new ATOM 0 HE2 MET A 117 -13.445 8.419 26.975 1.00 24.51 H new ATOM 0 HE3 MET A 117 -11.928 8.571 26.056 1.00 24.51 H new ATOM 1849 N CYS A 118 -14.496 3.286 26.870 1.00 12.20 N ATOM 1850 CA CYS A 118 -15.275 2.649 27.952 1.00 42.42 C ATOM 1851 C CYS A 118 -14.725 1.295 28.388 1.00 32.03 C ATOM 1852 O CYS A 118 -14.549 1.036 29.577 1.00 64.31 O ATOM 1853 CB CYS A 118 -16.777 2.453 27.578 1.00 63.12 C ATOM 1854 SG CYS A 118 -17.871 1.747 28.886 1.00 32.31 S ATOM 0 H CYS A 118 -14.989 3.320 25.978 1.00 12.20 H new ATOM 0 HA CYS A 118 -15.185 3.352 28.780 1.00 42.42 H new ATOM 0 HB2 CYS A 118 -17.183 3.420 27.280 1.00 63.12 H new ATOM 0 HB3 CYS A 118 -16.828 1.803 26.704 1.00 63.12 H new ATOM 1859 N PHE A 119 -14.393 0.401 27.430 1.00 62.12 N ATOM 1860 CA PHE A 119 -13.768 -0.885 27.691 1.00 20.34 C ATOM 1861 C PHE A 119 -12.474 -0.821 28.473 1.00 2.31 C ATOM 1862 O PHE A 119 -12.294 -1.523 29.471 1.00 51.43 O ATOM 1863 CB PHE A 119 -13.524 -1.540 26.313 1.00 62.14 C ATOM 1864 CG PHE A 119 -12.740 -2.826 26.344 1.00 72.44 C ATOM 1865 CD1 PHE A 119 -11.348 -2.755 26.140 1.00 11.33 C ATOM 1866 CD2 PHE A 119 -13.326 -4.065 26.632 1.00 53.24 C ATOM 1867 CE1 PHE A 119 -10.556 -3.901 26.227 1.00 50.43 C ATOM 1868 CE2 PHE A 119 -12.527 -5.210 26.730 1.00 60.04 C ATOM 1869 CZ PHE A 119 -11.147 -5.131 26.531 1.00 35.21 C ATOM 0 H PHE A 119 -14.562 0.571 26.438 1.00 62.12 H new ATOM 0 HA PHE A 119 -14.438 -1.463 28.328 1.00 20.34 H new ATOM 0 HB2 PHE A 119 -14.489 -1.733 25.844 1.00 62.14 H new ATOM 0 HB3 PHE A 119 -12.998 -0.827 25.678 1.00 62.14 H new ATOM 0 HD1 PHE A 119 -10.889 -1.804 25.914 1.00 11.33 H new ATOM 0 HD2 PHE A 119 -14.394 -4.137 26.778 1.00 53.24 H new ATOM 0 HE1 PHE A 119 -9.491 -3.838 26.060 1.00 50.43 H new ATOM 0 HE2 PHE A 119 -12.981 -6.162 26.961 1.00 60.04 H new ATOM 0 HZ PHE A 119 -10.537 -6.019 26.612 1.00 35.21 H new ATOM 1879 N LYS A 120 -11.559 0.072 28.056 1.00 25.42 N ATOM 1880 CA LYS A 120 -10.321 0.338 28.721 1.00 55.21 C ATOM 1881 C LYS A 120 -10.524 0.878 30.121 1.00 60.13 C ATOM 1882 O LYS A 120 -9.737 0.622 31.032 1.00 15.44 O ATOM 1883 CB LYS A 120 -9.489 1.299 27.839 1.00 53.20 C ATOM 1884 CG LYS A 120 -8.123 1.743 28.386 1.00 21.10 C ATOM 1885 CD LYS A 120 -7.117 0.613 28.653 1.00 42.44 C ATOM 1886 CE LYS A 120 -5.731 1.141 29.026 1.00 2.43 C ATOM 1887 NZ LYS A 120 -4.834 0.016 29.351 1.00 4.41 N ATOM 0 H LYS A 120 -11.688 0.635 27.215 1.00 25.42 H new ATOM 0 HA LYS A 120 -9.776 -0.597 28.851 1.00 55.21 H new ATOM 0 HB2 LYS A 120 -9.327 0.819 26.874 1.00 53.20 H new ATOM 0 HB3 LYS A 120 -10.086 2.192 27.654 1.00 53.20 H new ATOM 0 HG2 LYS A 120 -7.678 2.442 27.678 1.00 21.10 H new ATOM 0 HG3 LYS A 120 -8.284 2.289 29.315 1.00 21.10 H new ATOM 0 HD2 LYS A 120 -7.491 -0.019 29.458 1.00 42.44 H new ATOM 0 HD3 LYS A 120 -7.037 -0.015 27.766 1.00 42.44 H new ATOM 0 HE2 LYS A 120 -5.318 1.719 28.199 1.00 2.43 H new ATOM 0 HE3 LYS A 120 -5.807 1.815 29.879 1.00 2.43 H new ATOM 0 HZ1 LYS A 120 -3.894 0.383 29.603 1.00 4.41 H new ATOM 0 HZ2 LYS A 120 -5.224 -0.518 30.154 1.00 4.41 H new ATOM 0 HZ3 LYS A 120 -4.750 -0.611 28.526 1.00 4.41 H new ATOM 1901 N ALA A 121 -11.625 1.630 30.323 1.00 0.11 N ATOM 1902 CA ALA A 121 -11.965 2.216 31.606 1.00 75.01 C ATOM 1903 C ALA A 121 -12.200 1.158 32.678 1.00 3.54 C ATOM 1904 O ALA A 121 -11.735 1.258 33.811 1.00 25.11 O ATOM 1905 CB ALA A 121 -13.229 3.089 31.463 1.00 53.04 C ATOM 0 H ALA A 121 -12.298 1.841 29.586 1.00 0.11 H new ATOM 0 HA ALA A 121 -11.118 2.826 31.920 1.00 75.01 H new ATOM 0 HB1 ALA A 121 -13.480 3.527 32.429 1.00 53.04 H new ATOM 0 HB2 ALA A 121 -13.042 3.885 30.742 1.00 53.04 H new ATOM 0 HB3 ALA A 121 -14.059 2.473 31.117 1.00 53.04 H new ATOM 1911 N GLU A 122 -12.935 0.092 32.303 1.00 20.45 N ATOM 1912 CA GLU A 122 -13.205 -1.061 33.125 1.00 22.10 C ATOM 1913 C GLU A 122 -11.978 -1.930 33.412 1.00 13.23 C ATOM 1914 O GLU A 122 -11.722 -2.250 34.564 1.00 44.41 O ATOM 1915 CB GLU A 122 -14.339 -1.858 32.436 1.00 20.21 C ATOM 1916 CG GLU A 122 -15.719 -1.140 32.472 1.00 53.41 C ATOM 1917 CD GLU A 122 -16.318 -1.049 33.877 1.00 75.42 C ATOM 1918 OE1 GLU A 122 -16.521 0.095 34.358 1.00 54.05 O ATOM 1919 OE2 GLU A 122 -16.593 -2.127 34.465 1.00 22.00 O ATOM 0 H GLU A 122 -13.365 0.027 31.380 1.00 20.45 H new ATOM 0 HA GLU A 122 -13.511 -0.723 34.115 1.00 22.10 H new ATOM 0 HB2 GLU A 122 -14.062 -2.043 31.398 1.00 20.21 H new ATOM 0 HB3 GLU A 122 -14.433 -2.831 32.919 1.00 20.21 H new ATOM 0 HG2 GLU A 122 -15.608 -0.134 32.066 1.00 53.41 H new ATOM 0 HG3 GLU A 122 -16.414 -1.671 31.822 1.00 53.41 H new ATOM 1926 N ILE A 123 -11.119 -2.284 32.423 1.00 71.21 N ATOM 1927 CA ILE A 123 -9.883 -3.024 32.667 1.00 74.12 C ATOM 1928 C ILE A 123 -8.843 -2.261 33.470 1.00 62.24 C ATOM 1929 O ILE A 123 -8.007 -2.871 34.131 1.00 72.24 O ATOM 1930 CB ILE A 123 -9.248 -3.590 31.397 1.00 13.41 C ATOM 1931 CG1 ILE A 123 -8.741 -2.494 30.447 1.00 3.33 C ATOM 1932 CG2 ILE A 123 -10.255 -4.523 30.693 1.00 50.44 C ATOM 1933 CD1 ILE A 123 -8.207 -2.990 29.100 1.00 50.44 C ATOM 0 H ILE A 123 -11.275 -2.059 31.441 1.00 71.21 H new ATOM 0 HA ILE A 123 -10.216 -3.860 33.282 1.00 74.12 H new ATOM 0 HB ILE A 123 -8.367 -4.162 31.688 1.00 13.41 H new ATOM 0 HG12 ILE A 123 -9.555 -1.793 30.261 1.00 3.33 H new ATOM 0 HG13 ILE A 123 -7.950 -1.938 30.950 1.00 3.33 H new ATOM 0 HG21 ILE A 123 -9.804 -4.928 29.787 1.00 50.44 H new ATOM 0 HG22 ILE A 123 -10.522 -5.341 31.362 1.00 50.44 H new ATOM 0 HG23 ILE A 123 -11.151 -3.960 30.432 1.00 50.44 H new ATOM 0 HD11 ILE A 123 -7.875 -2.139 28.505 1.00 50.44 H new ATOM 0 HD12 ILE A 123 -7.368 -3.666 29.268 1.00 50.44 H new ATOM 0 HD13 ILE A 123 -8.998 -3.519 28.567 1.00 50.44 H new ATOM 1945 N HIS A 124 -8.902 -0.907 33.488 1.00 3.54 N ATOM 1946 CA HIS A 124 -8.118 -0.059 34.372 1.00 0.30 C ATOM 1947 C HIS A 124 -8.453 -0.311 35.844 1.00 12.15 C ATOM 1948 O HIS A 124 -7.581 -0.211 36.708 1.00 13.33 O ATOM 1949 CB HIS A 124 -8.324 1.450 34.043 1.00 61.22 C ATOM 1950 CG HIS A 124 -7.329 2.414 34.650 1.00 73.02 C ATOM 1951 ND1 HIS A 124 -6.756 2.240 35.880 1.00 73.15 N ATOM 1952 CD2 HIS A 124 -6.830 3.566 34.149 1.00 71.30 C ATOM 1953 CE1 HIS A 124 -5.938 3.248 36.120 1.00 60.30 C ATOM 1954 NE2 HIS A 124 -5.966 4.067 35.085 1.00 44.31 N ATOM 0 H HIS A 124 -9.515 -0.378 32.868 1.00 3.54 H new ATOM 0 HA HIS A 124 -7.073 -0.318 34.204 1.00 0.30 H new ATOM 0 HB2 HIS A 124 -8.298 1.570 32.960 1.00 61.22 H new ATOM 0 HB3 HIS A 124 -9.323 1.738 34.372 1.00 61.22 H new ATOM 0 HD1 HIS A 124 -6.932 1.458 36.510 1.00 73.15 H new ATOM 0 HD2 HIS A 124 -7.068 4.007 33.192 1.00 71.30 H new ATOM 0 HE1 HIS A 124 -5.345 3.380 37.013 1.00 60.30 H new ATOM 1963 N LYS A 125 -9.744 -0.569 36.171 1.00 15.03 N ATOM 1964 CA LYS A 125 -10.224 -0.714 37.538 1.00 13.14 C ATOM 1965 C LYS A 125 -9.832 -2.054 38.161 1.00 74.05 C ATOM 1966 O LYS A 125 -9.742 -2.198 39.379 1.00 32.34 O ATOM 1967 CB LYS A 125 -11.771 -0.515 37.596 1.00 1.11 C ATOM 1968 CG LYS A 125 -12.670 -1.771 37.557 1.00 21.34 C ATOM 1969 CD LYS A 125 -14.155 -1.477 37.262 1.00 24.23 C ATOM 1970 CE LYS A 125 -14.847 -0.484 38.200 1.00 64.34 C ATOM 1971 NZ LYS A 125 -14.876 -1.007 39.581 1.00 23.23 N ATOM 0 H LYS A 125 -10.478 -0.681 35.472 1.00 15.03 H new ATOM 0 HA LYS A 125 -9.739 0.063 38.129 1.00 13.14 H new ATOM 0 HB2 LYS A 125 -12.002 0.032 38.510 1.00 1.11 H new ATOM 0 HB3 LYS A 125 -12.056 0.125 36.761 1.00 1.11 H new ATOM 0 HG2 LYS A 125 -12.289 -2.454 36.798 1.00 21.34 H new ATOM 0 HG3 LYS A 125 -12.597 -2.286 38.515 1.00 21.34 H new ATOM 0 HD2 LYS A 125 -14.233 -1.097 36.243 1.00 24.23 H new ATOM 0 HD3 LYS A 125 -14.704 -2.418 37.294 1.00 24.23 H new ATOM 0 HE2 LYS A 125 -14.322 0.471 38.178 1.00 64.34 H new ATOM 0 HE3 LYS A 125 -15.864 -0.297 37.855 1.00 64.34 H new ATOM 0 HZ1 LYS A 125 -15.349 -0.320 40.202 1.00 23.23 H new ATOM 0 HZ2 LYS A 125 -15.396 -1.907 39.600 1.00 23.23 H new ATOM 0 HZ3 LYS A 125 -13.903 -1.162 39.914 1.00 23.23 H new ATOM 1985 N LEU A 126 -9.628 -3.075 37.301 1.00 23.32 N ATOM 1986 CA LEU A 126 -9.380 -4.466 37.626 1.00 65.03 C ATOM 1987 C LEU A 126 -8.047 -4.754 38.275 1.00 71.33 C ATOM 1988 O LEU A 126 -7.035 -4.084 38.094 1.00 20.42 O ATOM 1989 CB LEU A 126 -9.538 -5.359 36.363 1.00 52.41 C ATOM 1990 CG LEU A 126 -10.981 -5.383 35.805 1.00 33.43 C ATOM 1991 CD1 LEU A 126 -11.044 -5.908 34.364 1.00 75.42 C ATOM 1992 CD2 LEU A 126 -11.935 -6.192 36.695 1.00 11.11 C ATOM 0 H LEU A 126 -9.636 -2.920 36.293 1.00 23.32 H new ATOM 0 HA LEU A 126 -10.134 -4.706 38.376 1.00 65.03 H new ATOM 0 HB2 LEU A 126 -8.862 -5.001 35.587 1.00 52.41 H new ATOM 0 HB3 LEU A 126 -9.233 -6.377 36.606 1.00 52.41 H new ATOM 0 HG LEU A 126 -11.310 -4.344 35.803 1.00 33.43 H new ATOM 0 HD11 LEU A 126 -12.078 -5.904 34.020 1.00 75.42 H new ATOM 0 HD12 LEU A 126 -10.444 -5.268 33.717 1.00 75.42 H new ATOM 0 HD13 LEU A 126 -10.654 -6.925 34.330 1.00 75.42 H new ATOM 0 HD21 LEU A 126 -12.935 -6.179 36.262 1.00 11.11 H new ATOM 0 HD22 LEU A 126 -11.583 -7.221 36.765 1.00 11.11 H new ATOM 0 HD23 LEU A 126 -11.965 -5.751 37.691 1.00 11.11 H new ATOM 2004 N ASP A 127 -8.061 -5.827 39.091 1.00 31.01 N ATOM 2005 CA ASP A 127 -6.952 -6.280 39.897 1.00 3.51 C ATOM 2006 C ASP A 127 -5.989 -7.175 39.119 1.00 13.13 C ATOM 2007 O ASP A 127 -4.996 -7.645 39.668 1.00 53.13 O ATOM 2008 CB ASP A 127 -7.498 -7.038 41.128 1.00 0.10 C ATOM 2009 CG ASP A 127 -8.308 -6.113 42.027 1.00 33.41 C ATOM 2010 OD1 ASP A 127 -7.721 -5.136 42.557 1.00 52.12 O ATOM 2011 OD2 ASP A 127 -9.526 -6.388 42.187 1.00 11.42 O ATOM 0 H ASP A 127 -8.889 -6.414 39.198 1.00 31.01 H new ATOM 0 HA ASP A 127 -6.387 -5.402 40.209 1.00 3.51 H new ATOM 0 HB2 ASP A 127 -8.122 -7.869 40.800 1.00 0.10 H new ATOM 0 HB3 ASP A 127 -6.669 -7.465 41.693 1.00 0.10 H new ATOM 2016 N TRP A 128 -6.268 -7.431 37.824 1.00 72.14 N ATOM 2017 CA TRP A 128 -5.412 -8.202 36.944 1.00 54.53 C ATOM 2018 C TRP A 128 -5.255 -7.388 35.676 1.00 22.40 C ATOM 2019 O TRP A 128 -6.114 -6.568 35.356 1.00 44.35 O ATOM 2020 CB TRP A 128 -5.994 -9.611 36.607 1.00 64.41 C ATOM 2021 CG TRP A 128 -7.309 -9.565 35.850 1.00 12.43 C ATOM 2022 CD1 TRP A 128 -8.521 -9.187 36.339 1.00 45.12 C ATOM 2023 CD2 TRP A 128 -7.473 -9.748 34.432 1.00 63.21 C ATOM 2024 NE1 TRP A 128 -9.428 -9.054 35.313 1.00 34.24 N ATOM 2025 CE2 TRP A 128 -8.807 -9.400 34.131 1.00 12.11 C ATOM 2026 CE3 TRP A 128 -6.588 -10.147 33.434 1.00 43.00 C ATOM 2027 CZ2 TRP A 128 -9.272 -9.427 32.821 1.00 30.44 C ATOM 2028 CZ3 TRP A 128 -7.073 -10.223 32.121 1.00 13.03 C ATOM 2029 CH2 TRP A 128 -8.389 -9.846 31.813 1.00 55.41 C ATOM 0 H TRP A 128 -7.115 -7.094 37.367 1.00 72.14 H new ATOM 0 HA TRP A 128 -4.458 -8.387 37.439 1.00 54.53 H new ATOM 0 HB2 TRP A 128 -5.264 -10.163 36.015 1.00 64.41 H new ATOM 0 HB3 TRP A 128 -6.138 -10.166 37.534 1.00 64.41 H new ATOM 0 HD1 TRP A 128 -8.740 -9.016 37.383 1.00 45.12 H new ATOM 0 HE1 TRP A 128 -10.397 -8.750 35.410 1.00 34.24 H new ATOM 0 HE3 TRP A 128 -5.561 -10.390 33.664 1.00 43.00 H new ATOM 0 HZ2 TRP A 128 -10.284 -9.134 32.585 1.00 30.44 H new ATOM 0 HZ3 TRP A 128 -6.424 -10.577 31.334 1.00 13.03 H new ATOM 0 HH2 TRP A 128 -8.727 -9.879 30.788 1.00 55.41 H new ATOM 2040 N ALA A 129 -4.153 -7.591 34.925 1.00 31.43 N ATOM 2041 CA ALA A 129 -3.917 -6.861 33.703 1.00 55.40 C ATOM 2042 C ALA A 129 -3.939 -7.787 32.490 1.00 74.53 C ATOM 2043 O ALA A 129 -3.085 -8.672 32.410 1.00 15.24 O ATOM 2044 CB ALA A 129 -2.563 -6.136 33.761 1.00 41.44 C ATOM 0 H ALA A 129 -3.421 -8.261 35.161 1.00 31.43 H new ATOM 0 HA ALA A 129 -4.719 -6.130 33.600 1.00 55.40 H new ATOM 0 HB1 ALA A 129 -2.402 -5.591 32.831 1.00 41.44 H new ATOM 0 HB2 ALA A 129 -2.560 -5.436 34.597 1.00 41.44 H new ATOM 0 HB3 ALA A 129 -1.765 -6.866 33.896 1.00 41.44 H new ATOM 2050 N PRO A 130 -4.838 -7.657 31.511 1.00 12.04 N ATOM 2051 CA PRO A 130 -4.592 -8.148 30.154 1.00 42.42 C ATOM 2052 C PRO A 130 -3.509 -7.292 29.508 1.00 32.53 C ATOM 2053 O PRO A 130 -3.428 -6.092 29.765 1.00 2.31 O ATOM 2054 CB PRO A 130 -5.955 -7.963 29.468 1.00 11.13 C ATOM 2055 CG PRO A 130 -6.597 -6.768 30.181 1.00 63.50 C ATOM 2056 CD PRO A 130 -6.083 -6.881 31.613 1.00 33.03 C ATOM 0 HA PRO A 130 -4.243 -9.179 30.096 1.00 42.42 H new ATOM 0 HB2 PRO A 130 -5.838 -7.770 28.402 1.00 11.13 H new ATOM 0 HB3 PRO A 130 -6.570 -8.858 29.564 1.00 11.13 H new ATOM 0 HG2 PRO A 130 -6.303 -5.824 29.723 1.00 63.50 H new ATOM 0 HG3 PRO A 130 -7.685 -6.816 30.141 1.00 63.50 H new ATOM 0 HD2 PRO A 130 -5.900 -5.897 32.045 1.00 33.03 H new ATOM 0 HD3 PRO A 130 -6.808 -7.381 32.254 1.00 33.03 H new ATOM 2064 N THR A 131 -2.669 -7.886 28.637 1.00 2.44 N ATOM 2065 CA THR A 131 -1.824 -7.124 27.729 1.00 73.31 C ATOM 2066 C THR A 131 -2.657 -6.673 26.550 1.00 24.43 C ATOM 2067 O THR A 131 -3.765 -7.159 26.320 1.00 42.11 O ATOM 2068 CB THR A 131 -0.556 -7.873 27.295 1.00 64.03 C ATOM 2069 OG1 THR A 131 0.310 -7.057 26.514 1.00 10.24 O ATOM 2070 CG2 THR A 131 -0.880 -9.166 26.525 1.00 62.12 C ATOM 0 H THR A 131 -2.566 -8.897 28.552 1.00 2.44 H new ATOM 0 HA THR A 131 -1.450 -6.252 28.265 1.00 73.31 H new ATOM 0 HB THR A 131 -0.041 -8.139 28.218 1.00 64.03 H new ATOM 0 HG1 THR A 131 1.104 -7.572 26.261 1.00 10.24 H new ATOM 0 HG21 THR A 131 0.048 -9.661 26.239 1.00 62.12 H new ATOM 0 HG22 THR A 131 -1.465 -9.831 27.160 1.00 62.12 H new ATOM 0 HG23 THR A 131 -1.452 -8.923 25.630 1.00 62.12 H new ATOM 2078 N LEU A 132 -2.146 -5.713 25.755 1.00 1.24 N ATOM 2079 CA LEU A 132 -2.878 -5.107 24.657 1.00 11.51 C ATOM 2080 C LEU A 132 -3.244 -6.111 23.588 1.00 21.14 C ATOM 2081 O LEU A 132 -4.306 -6.001 22.986 1.00 40.20 O ATOM 2082 CB LEU A 132 -2.149 -3.895 24.004 1.00 63.24 C ATOM 2083 CG LEU A 132 -2.135 -2.584 24.837 1.00 73.54 C ATOM 2084 CD1 LEU A 132 -3.553 -2.150 25.248 1.00 15.22 C ATOM 2085 CD2 LEU A 132 -1.195 -2.582 26.055 1.00 62.33 C ATOM 0 H LEU A 132 -1.203 -5.342 25.869 1.00 1.24 H new ATOM 0 HA LEU A 132 -3.789 -4.728 25.119 1.00 11.51 H new ATOM 0 HB2 LEU A 132 -1.118 -4.183 23.798 1.00 63.24 H new ATOM 0 HB3 LEU A 132 -2.620 -3.687 23.043 1.00 63.24 H new ATOM 0 HG LEU A 132 -1.716 -1.848 24.151 1.00 73.54 H new ATOM 0 HD11 LEU A 132 -3.498 -1.229 25.829 1.00 15.22 H new ATOM 0 HD12 LEU A 132 -4.155 -1.980 24.355 1.00 15.22 H new ATOM 0 HD13 LEU A 132 -4.012 -2.933 25.852 1.00 15.22 H new ATOM 0 HD21 LEU A 132 -1.262 -1.621 26.565 1.00 62.33 H new ATOM 0 HD22 LEU A 132 -1.486 -3.378 26.741 1.00 62.33 H new ATOM 0 HD23 LEU A 132 -0.170 -2.746 25.724 1.00 62.33 H new ATOM 2097 N ASP A 133 -2.417 -7.163 23.386 1.00 33.22 N ATOM 2098 CA ASP A 133 -2.683 -8.209 22.407 1.00 75.11 C ATOM 2099 C ASP A 133 -3.998 -8.944 22.672 1.00 73.33 C ATOM 2100 O ASP A 133 -4.756 -9.208 21.750 1.00 1.34 O ATOM 2101 CB ASP A 133 -1.540 -9.259 22.394 1.00 3.25 C ATOM 2102 CG ASP A 133 -0.252 -8.654 21.853 1.00 11.14 C ATOM 2103 OD1 ASP A 133 -0.258 -8.182 20.688 1.00 54.13 O ATOM 2104 OD2 ASP A 133 0.747 -8.652 22.619 1.00 2.14 O ATOM 0 H ASP A 133 -1.549 -7.298 23.905 1.00 33.22 H new ATOM 0 HA ASP A 133 -2.751 -7.703 21.444 1.00 75.11 H new ATOM 0 HB2 ASP A 133 -1.374 -9.634 23.404 1.00 3.25 H new ATOM 0 HB3 ASP A 133 -1.831 -10.112 21.781 1.00 3.25 H new ATOM 2109 N VAL A 134 -4.291 -9.261 23.946 1.00 73.34 N ATOM 2110 CA VAL A 134 -5.532 -9.860 24.428 1.00 62.45 C ATOM 2111 C VAL A 134 -6.635 -8.865 24.696 1.00 70.14 C ATOM 2112 O VAL A 134 -7.772 -9.082 24.273 1.00 54.43 O ATOM 2113 CB VAL A 134 -5.318 -10.803 25.590 1.00 53.32 C ATOM 2114 CG1 VAL A 134 -4.424 -10.184 26.633 1.00 24.32 C ATOM 2115 CG2 VAL A 134 -6.622 -11.362 26.195 1.00 30.11 C ATOM 0 H VAL A 134 -3.627 -9.094 24.702 1.00 73.34 H new ATOM 0 HA VAL A 134 -5.886 -10.464 23.593 1.00 62.45 H new ATOM 0 HB VAL A 134 -4.808 -11.675 25.180 1.00 53.32 H new ATOM 0 HG11 VAL A 134 -4.287 -10.884 27.457 1.00 24.32 H new ATOM 0 HG12 VAL A 134 -3.456 -9.951 26.190 1.00 24.32 H new ATOM 0 HG13 VAL A 134 -4.881 -9.268 27.007 1.00 24.32 H new ATOM 0 HG21 VAL A 134 -6.382 -12.030 27.023 1.00 30.11 H new ATOM 0 HG22 VAL A 134 -7.236 -10.539 26.559 1.00 30.11 H new ATOM 0 HG23 VAL A 134 -7.170 -11.914 25.431 1.00 30.11 H new ATOM 2125 N ALA A 135 -6.336 -7.721 25.362 1.00 73.34 N ATOM 2126 CA ALA A 135 -7.327 -6.710 25.671 1.00 21.12 C ATOM 2127 C ALA A 135 -7.931 -6.081 24.445 1.00 42.52 C ATOM 2128 O ALA A 135 -9.152 -6.005 24.326 1.00 20.02 O ATOM 2129 CB ALA A 135 -6.725 -5.590 26.538 1.00 13.24 C ATOM 0 H ALA A 135 -5.398 -7.493 25.691 1.00 73.34 H new ATOM 0 HA ALA A 135 -8.114 -7.233 26.214 1.00 21.12 H new ATOM 0 HB1 ALA A 135 -7.491 -4.846 26.754 1.00 13.24 H new ATOM 0 HB2 ALA A 135 -6.355 -6.012 27.472 1.00 13.24 H new ATOM 0 HB3 ALA A 135 -5.901 -5.118 26.002 1.00 13.24 H new ATOM 2135 N VAL A 136 -7.109 -5.665 23.455 1.00 52.35 N ATOM 2136 CA VAL A 136 -7.688 -5.159 22.230 1.00 70.12 C ATOM 2137 C VAL A 136 -8.092 -6.324 21.384 1.00 24.23 C ATOM 2138 O VAL A 136 -9.017 -6.224 20.588 1.00 30.23 O ATOM 2139 CB VAL A 136 -6.810 -4.244 21.389 1.00 3.04 C ATOM 2140 CG1 VAL A 136 -6.116 -3.233 22.311 1.00 64.33 C ATOM 2141 CG2 VAL A 136 -5.890 -4.904 20.344 1.00 34.11 C ATOM 0 H VAL A 136 -6.090 -5.675 23.491 1.00 52.35 H new ATOM 0 HA VAL A 136 -8.523 -4.536 22.551 1.00 70.12 H new ATOM 0 HB VAL A 136 -7.482 -3.716 20.712 1.00 3.04 H new ATOM 0 HG11 VAL A 136 -5.484 -2.573 21.717 1.00 64.33 H new ATOM 0 HG12 VAL A 136 -6.868 -2.642 22.834 1.00 64.33 H new ATOM 0 HG13 VAL A 136 -5.502 -3.765 23.038 1.00 64.33 H new ATOM 0 HG21 VAL A 136 -5.324 -4.134 19.820 1.00 34.11 H new ATOM 0 HG22 VAL A 136 -5.201 -5.584 20.844 1.00 34.11 H new ATOM 0 HG23 VAL A 136 -6.494 -5.461 19.628 1.00 34.11 H new ATOM 2151 N GLY A 137 -7.396 -7.475 21.523 1.00 54.22 N ATOM 2152 CA GLY A 137 -7.648 -8.609 20.658 1.00 50.23 C ATOM 2153 C GLY A 137 -9.029 -9.166 20.778 1.00 71.34 C ATOM 2154 O GLY A 137 -9.635 -9.468 19.761 1.00 74.44 O ATOM 0 H GLY A 137 -6.668 -7.625 22.222 1.00 54.22 H new ATOM 0 HA2 GLY A 137 -7.476 -8.310 19.624 1.00 50.23 H new ATOM 0 HA3 GLY A 137 -6.928 -9.395 20.887 1.00 50.23 H new ATOM 2158 N GLU A 138 -9.591 -9.293 22.004 1.00 61.20 N ATOM 2159 CA GLU A 138 -10.975 -9.715 22.162 1.00 14.51 C ATOM 2160 C GLU A 138 -11.978 -8.716 21.592 1.00 20.00 C ATOM 2161 O GLU A 138 -12.977 -9.122 20.998 1.00 3.13 O ATOM 2162 CB GLU A 138 -11.347 -10.064 23.623 1.00 43.12 C ATOM 2163 CG GLU A 138 -10.445 -11.206 24.132 1.00 13.12 C ATOM 2164 CD GLU A 138 -11.083 -12.014 25.251 1.00 54.42 C ATOM 2165 OE1 GLU A 138 -10.616 -11.883 26.407 1.00 72.14 O ATOM 2166 OE2 GLU A 138 -11.978 -12.835 24.927 1.00 71.02 O ATOM 0 H GLU A 138 -9.102 -9.108 22.880 1.00 61.20 H new ATOM 0 HA GLU A 138 -11.043 -10.630 21.574 1.00 14.51 H new ATOM 0 HB2 GLU A 138 -11.230 -9.185 24.258 1.00 43.12 H new ATOM 0 HB3 GLU A 138 -12.394 -10.362 23.680 1.00 43.12 H new ATOM 0 HG2 GLU A 138 -10.207 -11.871 23.302 1.00 13.12 H new ATOM 0 HG3 GLU A 138 -9.503 -10.787 24.485 1.00 13.12 H new ATOM 2173 N LEU A 139 -11.719 -7.385 21.717 1.00 31.41 N ATOM 2174 CA LEU A 139 -12.506 -6.349 21.072 1.00 74.43 C ATOM 2175 C LEU A 139 -12.470 -6.419 19.593 1.00 72.21 C ATOM 2176 O LEU A 139 -13.501 -6.411 18.924 1.00 60.24 O ATOM 2177 CB LEU A 139 -11.950 -4.930 21.309 1.00 43.53 C ATOM 2178 CG LEU A 139 -12.194 -4.353 22.677 1.00 11.11 C ATOM 2179 CD1 LEU A 139 -11.413 -3.036 22.811 1.00 33.30 C ATOM 2180 CD2 LEU A 139 -13.694 -4.085 22.772 1.00 42.22 C ATOM 0 H LEU A 139 -10.948 -7.020 22.277 1.00 31.41 H new ATOM 0 HA LEU A 139 -13.494 -6.519 21.499 1.00 74.43 H new ATOM 0 HB2 LEU A 139 -10.875 -4.946 21.128 1.00 43.53 H new ATOM 0 HB3 LEU A 139 -12.388 -4.260 20.569 1.00 43.53 H new ATOM 0 HG LEU A 139 -11.869 -5.029 23.468 1.00 11.11 H new ATOM 0 HD11 LEU A 139 -11.584 -2.611 23.800 1.00 33.30 H new ATOM 0 HD12 LEU A 139 -10.348 -3.229 22.678 1.00 33.30 H new ATOM 0 HD13 LEU A 139 -11.752 -2.333 22.050 1.00 33.30 H new ATOM 0 HD21 LEU A 139 -13.927 -3.664 23.750 1.00 42.22 H new ATOM 0 HD22 LEU A 139 -13.988 -3.381 21.994 1.00 42.22 H new ATOM 0 HD23 LEU A 139 -14.240 -5.019 22.640 1.00 42.22 H new ATOM 2192 N LEU A 140 -11.238 -6.476 19.060 1.00 20.31 N ATOM 2193 CA LEU A 140 -11.078 -6.480 17.633 1.00 20.12 C ATOM 2194 C LEU A 140 -11.570 -7.786 17.021 1.00 70.32 C ATOM 2195 O LEU A 140 -12.245 -7.795 15.996 1.00 42.20 O ATOM 2196 CB LEU A 140 -9.623 -6.185 17.199 1.00 31.05 C ATOM 2197 CG LEU A 140 -9.091 -4.777 17.568 1.00 63.31 C ATOM 2198 CD1 LEU A 140 -7.710 -4.550 16.928 1.00 41.12 C ATOM 2199 CD2 LEU A 140 -10.048 -3.602 17.309 1.00 32.11 C ATOM 0 H LEU A 140 -10.371 -6.518 19.596 1.00 20.31 H new ATOM 0 HA LEU A 140 -11.698 -5.668 17.252 1.00 20.12 H new ATOM 0 HB2 LEU A 140 -8.969 -6.931 17.650 1.00 31.05 H new ATOM 0 HB3 LEU A 140 -9.552 -6.310 16.119 1.00 31.05 H new ATOM 0 HG LEU A 140 -9.001 -4.781 18.654 1.00 63.31 H new ATOM 0 HD11 LEU A 140 -7.345 -3.558 17.193 1.00 41.12 H new ATOM 0 HD12 LEU A 140 -7.012 -5.303 17.293 1.00 41.12 H new ATOM 0 HD13 LEU A 140 -7.794 -4.628 15.844 1.00 41.12 H new ATOM 0 HD21 LEU A 140 -9.568 -2.669 17.605 1.00 32.11 H new ATOM 0 HD22 LEU A 140 -10.296 -3.562 16.248 1.00 32.11 H new ATOM 0 HD23 LEU A 140 -10.960 -3.741 17.890 1.00 32.11 H new ATOM 2211 N ALA A 141 -11.304 -8.942 17.668 1.00 2.24 N ATOM 2212 CA ALA A 141 -11.816 -10.222 17.236 1.00 73.00 C ATOM 2213 C ALA A 141 -13.332 -10.293 17.222 1.00 65.54 C ATOM 2214 O ALA A 141 -13.905 -10.837 16.285 1.00 53.33 O ATOM 2215 CB ALA A 141 -11.278 -11.362 18.124 1.00 34.45 C ATOM 0 H ALA A 141 -10.724 -8.993 18.506 1.00 2.24 H new ATOM 0 HA ALA A 141 -11.466 -10.340 16.211 1.00 73.00 H new ATOM 0 HB1 ALA A 141 -11.679 -12.314 17.777 1.00 34.45 H new ATOM 0 HB2 ALA A 141 -10.190 -11.385 18.067 1.00 34.45 H new ATOM 0 HB3 ALA A 141 -11.584 -11.194 19.157 1.00 34.45 H new ATOM 2221 N ASP A 142 -14.029 -9.738 18.235 1.00 64.01 N ATOM 2222 CA ASP A 142 -15.476 -9.749 18.272 1.00 35.24 C ATOM 2223 C ASP A 142 -16.059 -8.443 17.718 1.00 31.41 C ATOM 2224 O ASP A 142 -17.112 -8.000 18.171 1.00 45.10 O ATOM 2225 CB ASP A 142 -15.920 -10.020 19.740 1.00 0.14 C ATOM 2226 CG ASP A 142 -17.389 -10.411 19.880 1.00 70.02 C ATOM 2227 OD1 ASP A 142 -18.077 -9.826 20.761 1.00 42.21 O ATOM 2228 OD2 ASP A 142 -17.820 -11.336 19.145 1.00 42.51 O ATOM 0 H ASP A 142 -13.595 -9.278 19.035 1.00 64.01 H new ATOM 0 HA ASP A 142 -15.862 -10.540 17.630 1.00 35.24 H new ATOM 0 HB2 ASP A 142 -15.301 -10.816 20.155 1.00 0.14 H new ATOM 0 HB3 ASP A 142 -15.734 -9.127 20.336 1.00 0.14 H new ATOM 2233 N THR A 143 -15.418 -7.783 16.719 1.00 61.42 N ATOM 2234 CA THR A 143 -15.950 -6.531 16.160 1.00 15.20 C ATOM 2235 C THR A 143 -17.321 -6.678 15.436 1.00 63.25 C ATOM 2236 O THR A 143 -17.480 -7.611 14.603 1.00 0.00 O ATOM 2237 CB THR A 143 -14.966 -5.786 15.237 1.00 51.01 C ATOM 2238 OG1 THR A 143 -15.503 -4.524 14.862 1.00 2.42 O ATOM 2239 CG2 THR A 143 -14.595 -6.554 13.952 1.00 42.21 C ATOM 2240 OXT THR A 143 -18.235 -5.864 15.745 1.00 0.00 O ATOM 0 H THR A 143 -14.545 -8.098 16.295 1.00 61.42 H new ATOM 0 HA THR A 143 -16.107 -5.927 17.054 1.00 15.20 H new ATOM 0 HB THR A 143 -14.054 -5.676 15.823 1.00 51.01 H new ATOM 0 HG1 THR A 143 -14.869 -4.059 14.277 1.00 2.42 H new ATOM 0 HG21 THR A 143 -13.899 -5.959 13.360 1.00 42.21 H new ATOM 0 HG22 THR A 143 -14.127 -7.502 14.217 1.00 42.21 H new ATOM 0 HG23 THR A 143 -15.496 -6.745 13.369 1.00 42.21 H new TER 2248 THR A 143