USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 944 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 42 SER OG : rot 180:sc= 0.166 USER MOD Set 1.2: A 44 GLN : amide:sc= -5.51! C(o=-5.3!,f=-2.5!) USER MOD Set 2.1: A 37 CYS SG : rot -72:sc= 0.347 USER MOD Set 2.2: A 43 THR OG1 : rot -155:sc= 0.339 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.092 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.768 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 2:sc= 1.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0678 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= 0.963 (180deg=0.604) USER MOD Single : A 33 ASN : amide:sc= -0.334 K(o=-0.33,f=0.94) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0295 (180deg=-0.265) USER MOD Single : A 51 ASN : amide:sc= -0.873! C(o=-0.87!,f=-7.9!) USER MOD Single : A 54 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 0.00554 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.058 (180deg=-0.418) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.067 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 37:sc= 0.0132 USER MOD Single : A 77 ASN : amide:sc= -0.65! C(o=-0.65!,f=-6.4!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.059) USER MOD Single : A 91 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.92) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 96 HIS : no HD1:sc= -0.342 X(o=-0.34,f=0.0024) USER MOD Single : A 97 SER OG : rot 34:sc= 0.0528 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 130:sc= -0.506 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 109 LYS NZ :NH3+ -120:sc= -0.396 (180deg=-0.951) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -152:sc= -0.444 (180deg=-1.5!) USER MOD Single : A 122 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.469 14.300 -8.400 1.00 0.00 N ATOM 2 CA GLY A 1 -11.911 14.343 -8.560 1.00 0.00 C ATOM 3 C GLY A 1 -12.553 12.979 -8.404 1.00 0.00 C ATOM 4 O GLY A 1 -11.861 11.976 -8.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.194 14.870 -7.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.165 13.316 -8.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.014 14.684 -9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.335 15.027 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.152 14.744 -9.544 1.00 0.00 H new ATOM 8 N SER A 2 -13.880 12.941 -8.463 1.00 0.00 N ATOM 9 CA SER A 2 -14.616 11.690 -8.321 1.00 0.00 C ATOM 10 C SER A 2 -14.435 11.109 -6.922 1.00 0.00 C ATOM 11 O SER A 2 -14.252 9.903 -6.757 1.00 0.00 O ATOM 12 CB SER A 2 -14.151 10.678 -9.370 1.00 0.00 C ATOM 13 OG SER A 2 -14.900 9.478 -9.287 1.00 0.00 O ATOM 0 H SER A 2 -14.468 13.762 -8.608 1.00 0.00 H new ATOM 0 HA SER A 2 -15.674 11.901 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.256 11.108 -10.366 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.093 10.461 -9.226 1.00 0.00 H new ATOM 0 HG SER A 2 -14.839 9.116 -8.378 1.00 0.00 H new ATOM 19 N SER A 3 -14.487 11.977 -5.916 1.00 0.00 N ATOM 20 CA SER A 3 -14.325 11.552 -4.531 1.00 0.00 C ATOM 21 C SER A 3 -15.427 12.134 -3.651 1.00 0.00 C ATOM 22 O SER A 3 -15.606 13.350 -3.583 1.00 0.00 O ATOM 23 CB SER A 3 -12.955 11.980 -4.001 1.00 0.00 C ATOM 24 OG SER A 3 -12.799 11.620 -2.639 1.00 0.00 O ATOM 0 H SER A 3 -14.640 12.978 -6.035 1.00 0.00 H new ATOM 0 HA SER A 3 -14.396 10.465 -4.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.170 11.513 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.840 13.058 -4.111 1.00 0.00 H new ATOM 0 HG SER A 3 -11.915 11.903 -2.325 1.00 0.00 H new ATOM 30 N GLY A 4 -16.165 11.256 -2.978 1.00 0.00 N ATOM 31 CA GLY A 4 -17.241 11.701 -2.112 1.00 0.00 C ATOM 32 C GLY A 4 -16.996 11.351 -0.657 1.00 0.00 C ATOM 33 O GLY A 4 -16.034 11.824 -0.052 1.00 0.00 O ATOM 0 H GLY A 4 -16.037 10.245 -3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.358 12.780 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.177 11.248 -2.439 1.00 0.00 H new ATOM 37 N SER A 5 -17.869 10.522 -0.094 1.00 0.00 N ATOM 38 CA SER A 5 -17.746 10.114 1.300 1.00 0.00 C ATOM 39 C SER A 5 -18.610 8.889 1.586 1.00 0.00 C ATOM 40 O SER A 5 -19.390 8.455 0.739 1.00 0.00 O ATOM 41 CB SER A 5 -18.147 11.263 2.227 1.00 0.00 C ATOM 42 OG SER A 5 -17.156 12.275 2.244 1.00 0.00 O ATOM 0 H SER A 5 -18.669 10.120 -0.582 1.00 0.00 H new ATOM 0 HA SER A 5 -16.704 9.853 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.097 11.685 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.300 10.883 3.237 1.00 0.00 H new ATOM 0 HG SER A 5 -16.432 12.034 1.630 1.00 0.00 H new ATOM 48 N SER A 6 -18.465 8.338 2.787 1.00 0.00 N ATOM 49 CA SER A 6 -19.228 7.161 3.185 1.00 0.00 C ATOM 50 C SER A 6 -20.727 7.422 3.073 1.00 0.00 C ATOM 51 O SER A 6 -21.213 8.488 3.451 1.00 0.00 O ATOM 52 CB SER A 6 -18.874 6.758 4.618 1.00 0.00 C ATOM 53 OG SER A 6 -19.447 5.506 4.951 1.00 0.00 O ATOM 0 H SER A 6 -17.826 8.688 3.501 1.00 0.00 H new ATOM 0 HA SER A 6 -18.968 6.345 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.791 6.707 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.229 7.520 5.312 1.00 0.00 H new ATOM 0 HG SER A 6 -19.205 5.270 5.871 1.00 0.00 H new ATOM 59 N GLY A 7 -21.456 6.440 2.551 1.00 0.00 N ATOM 60 CA GLY A 7 -22.892 6.582 2.398 1.00 0.00 C ATOM 61 C GLY A 7 -23.657 6.051 3.594 1.00 0.00 C ATOM 62 O GLY A 7 -23.267 5.051 4.197 1.00 0.00 O ATOM 0 H GLY A 7 -21.077 5.548 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.137 7.634 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.213 6.053 1.501 1.00 0.00 H new ATOM 66 N THR A 8 -24.751 6.723 3.940 1.00 0.00 N ATOM 67 CA THR A 8 -25.572 6.315 5.073 1.00 0.00 C ATOM 68 C THR A 8 -25.999 4.857 4.946 1.00 0.00 C ATOM 69 O THR A 8 -25.829 4.068 5.875 1.00 0.00 O ATOM 70 CB THR A 8 -26.828 7.197 5.203 1.00 0.00 C ATOM 71 OG1 THR A 8 -27.575 7.169 3.982 1.00 0.00 O ATOM 72 CG2 THR A 8 -26.450 8.631 5.539 1.00 0.00 C ATOM 0 H THR A 8 -25.089 7.552 3.451 1.00 0.00 H new ATOM 0 HA THR A 8 -24.959 6.434 5.967 1.00 0.00 H new ATOM 0 HB THR A 8 -27.441 6.800 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 8 -28.373 7.731 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 8 -27.353 9.235 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 8 -25.907 8.652 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 8 -25.818 9.035 4.748 1.00 0.00 H new ATOM 80 N GLU A 9 -26.554 4.507 3.790 1.00 0.00 N ATOM 81 CA GLU A 9 -27.005 3.142 3.542 1.00 0.00 C ATOM 82 C GLU A 9 -25.848 2.155 3.669 1.00 0.00 C ATOM 83 O GLU A 9 -24.836 2.278 2.980 1.00 0.00 O ATOM 84 CB GLU A 9 -27.633 3.033 2.151 1.00 0.00 C ATOM 85 CG GLU A 9 -27.965 1.608 1.743 1.00 0.00 C ATOM 86 CD GLU A 9 -27.921 1.406 0.241 1.00 0.00 C ATOM 87 OE1 GLU A 9 -28.907 1.765 -0.435 1.00 0.00 O ATOM 88 OE2 GLU A 9 -26.900 0.889 -0.258 1.00 0.00 O ATOM 0 H GLU A 9 -26.702 5.149 3.011 1.00 0.00 H new ATOM 0 HA GLU A 9 -27.756 2.893 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -28.544 3.631 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.949 3.462 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -27.261 0.925 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -28.958 1.351 2.112 1.00 0.00 H new ATOM 95 N ARG A 10 -26.007 1.178 4.555 1.00 0.00 N ATOM 96 CA ARG A 10 -24.976 0.171 4.774 1.00 0.00 C ATOM 97 C ARG A 10 -25.569 -1.234 4.728 1.00 0.00 C ATOM 98 O ARG A 10 -26.450 -1.572 5.518 1.00 0.00 O ATOM 99 CB ARG A 10 -24.286 0.400 6.121 1.00 0.00 C ATOM 100 CG ARG A 10 -23.483 1.689 6.182 1.00 0.00 C ATOM 101 CD ARG A 10 -23.373 2.210 7.606 1.00 0.00 C ATOM 102 NE ARG A 10 -22.578 1.325 8.453 1.00 0.00 N ATOM 103 CZ ARG A 10 -21.923 1.734 9.533 1.00 0.00 C ATOM 104 NH1 ARG A 10 -21.969 3.008 9.897 1.00 0.00 N ATOM 105 NH2 ARG A 10 -21.221 0.868 10.253 1.00 0.00 N ATOM 0 H ARG A 10 -26.840 1.062 5.133 1.00 0.00 H new ATOM 0 HA ARG A 10 -24.240 0.263 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -25.040 0.414 6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -23.624 -0.441 6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -22.485 1.517 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -23.955 2.443 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -22.922 3.202 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -24.371 2.318 8.031 1.00 0.00 H new ATOM 0 HE ARG A 10 -22.523 0.338 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -22.508 3.676 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.465 3.320 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.184 -0.113 9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.718 1.184 11.082 1.00 0.00 H new ATOM 119 N GLU A 11 -25.081 -2.047 3.796 1.00 0.00 N ATOM 120 CA GLU A 11 -25.564 -3.415 3.646 1.00 0.00 C ATOM 121 C GLU A 11 -24.495 -4.419 4.066 1.00 0.00 C ATOM 122 O GLU A 11 -23.315 -4.082 4.165 1.00 0.00 O ATOM 123 CB GLU A 11 -25.984 -3.675 2.198 1.00 0.00 C ATOM 124 CG GLU A 11 -27.153 -2.820 1.740 1.00 0.00 C ATOM 125 CD GLU A 11 -27.719 -3.270 0.407 1.00 0.00 C ATOM 126 OE1 GLU A 11 -27.721 -4.492 0.147 1.00 0.00 O ATOM 127 OE2 GLU A 11 -28.159 -2.402 -0.375 1.00 0.00 O ATOM 0 H GLU A 11 -24.352 -1.782 3.134 1.00 0.00 H new ATOM 0 HA GLU A 11 -26.430 -3.541 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -25.132 -3.492 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -26.249 -4.727 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -27.939 -2.853 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -26.830 -1.782 1.661 1.00 0.00 H new ATOM 134 N LYS A 12 -24.917 -5.655 4.312 1.00 0.00 N ATOM 135 CA LYS A 12 -23.997 -6.710 4.721 1.00 0.00 C ATOM 136 C LYS A 12 -23.118 -7.147 3.554 1.00 0.00 C ATOM 137 O LYS A 12 -23.572 -7.849 2.650 1.00 0.00 O ATOM 138 CB LYS A 12 -24.776 -7.911 5.264 1.00 0.00 C ATOM 139 CG LYS A 12 -25.541 -7.611 6.542 1.00 0.00 C ATOM 140 CD LYS A 12 -24.637 -7.676 7.762 1.00 0.00 C ATOM 141 CE LYS A 12 -25.397 -7.343 9.037 1.00 0.00 C ATOM 142 NZ LYS A 12 -24.482 -7.182 10.201 1.00 0.00 N ATOM 0 H LYS A 12 -25.890 -5.951 4.235 1.00 0.00 H new ATOM 0 HA LYS A 12 -23.355 -6.314 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -25.477 -8.254 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -24.082 -8.730 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -25.991 -6.620 6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.357 -8.325 6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.206 -8.674 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.808 -6.980 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.965 -6.424 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -26.117 -8.133 9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.038 -6.956 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.958 -8.067 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.811 -6.411 10.011 1.00 0.00 H new ATOM 156 N PHE A 13 -21.856 -6.730 3.581 1.00 0.00 N ATOM 157 CA PHE A 13 -20.913 -7.080 2.525 1.00 0.00 C ATOM 158 C PHE A 13 -20.266 -8.434 2.801 1.00 0.00 C ATOM 159 O PHE A 13 -19.225 -8.763 2.231 1.00 0.00 O ATOM 160 CB PHE A 13 -19.834 -6.002 2.399 1.00 0.00 C ATOM 161 CG PHE A 13 -19.316 -5.514 3.722 1.00 0.00 C ATOM 162 CD1 PHE A 13 -18.328 -6.214 4.395 1.00 0.00 C ATOM 163 CD2 PHE A 13 -19.819 -4.357 4.294 1.00 0.00 C ATOM 164 CE1 PHE A 13 -17.849 -5.768 5.612 1.00 0.00 C ATOM 165 CE2 PHE A 13 -19.344 -3.905 5.511 1.00 0.00 C ATOM 166 CZ PHE A 13 -18.358 -4.613 6.171 1.00 0.00 C ATOM 0 H PHE A 13 -21.463 -6.150 4.322 1.00 0.00 H new ATOM 0 HA PHE A 13 -21.463 -7.145 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -19.002 -6.398 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -20.239 -5.157 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -17.927 -7.119 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -20.591 -3.801 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -17.077 -6.322 6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -19.743 -3.000 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 13 -17.986 -4.263 7.123 1.00 0.00 H new ATOM 176 N ILE A 14 -20.889 -9.213 3.678 1.00 0.00 N ATOM 177 CA ILE A 14 -20.374 -10.531 4.029 1.00 0.00 C ATOM 178 C ILE A 14 -21.482 -11.579 4.002 1.00 0.00 C ATOM 179 O ILE A 14 -22.600 -11.327 4.450 1.00 0.00 O ATOM 180 CB ILE A 14 -19.720 -10.527 5.423 1.00 0.00 C ATOM 181 CG1 ILE A 14 -18.454 -9.668 5.414 1.00 0.00 C ATOM 182 CG2 ILE A 14 -19.399 -11.948 5.862 1.00 0.00 C ATOM 183 CD1 ILE A 14 -17.582 -9.864 6.635 1.00 0.00 C ATOM 0 H ILE A 14 -21.751 -8.955 4.159 1.00 0.00 H new ATOM 0 HA ILE A 14 -19.620 -10.784 3.284 1.00 0.00 H new ATOM 0 HB ILE A 14 -20.423 -10.097 6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -17.873 -9.901 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -18.738 -8.618 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -18.937 -11.928 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -20.318 -12.533 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -18.711 -12.403 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -16.703 -9.224 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -18.146 -9.603 7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -17.268 -10.906 6.694 1.00 0.00 H new ATOM 195 N VAL A 15 -21.162 -12.756 3.475 1.00 0.00 N ATOM 196 CA VAL A 15 -22.129 -13.845 3.392 1.00 0.00 C ATOM 197 C VAL A 15 -22.293 -14.538 4.740 1.00 0.00 C ATOM 198 O VAL A 15 -21.376 -14.581 5.560 1.00 0.00 O ATOM 199 CB VAL A 15 -21.712 -14.888 2.338 1.00 0.00 C ATOM 200 CG1 VAL A 15 -21.680 -14.263 0.952 1.00 0.00 C ATOM 201 CG2 VAL A 15 -20.360 -15.490 2.692 1.00 0.00 C ATOM 0 H VAL A 15 -20.241 -12.980 3.099 1.00 0.00 H new ATOM 0 HA VAL A 15 -23.080 -13.402 3.096 1.00 0.00 H new ATOM 0 HB VAL A 15 -22.451 -15.689 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -21.383 -15.015 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -22.671 -13.884 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -20.963 -13.442 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -20.080 -16.225 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -19.608 -14.701 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -20.422 -15.976 3.666 1.00 0.00 H new ATOM 211 N PRO A 16 -23.490 -15.094 4.977 1.00 0.00 N ATOM 212 CA PRO A 16 -23.803 -15.797 6.225 1.00 0.00 C ATOM 213 C PRO A 16 -23.055 -17.120 6.349 1.00 0.00 C ATOM 214 O PRO A 16 -22.705 -17.742 5.346 1.00 0.00 O ATOM 215 CB PRO A 16 -25.311 -16.043 6.125 1.00 0.00 C ATOM 216 CG PRO A 16 -25.597 -16.053 4.663 1.00 0.00 C ATOM 217 CD PRO A 16 -24.631 -15.081 4.045 1.00 0.00 C ATOM 0 HA PRO A 16 -23.508 -15.221 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -25.589 -16.989 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -25.874 -15.260 6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -25.466 -17.052 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -26.628 -15.758 4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -24.335 -15.391 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -25.065 -14.085 3.955 1.00 0.00 H new ATOM 225 N ILE A 17 -22.812 -17.543 7.585 1.00 0.00 N ATOM 226 CA ILE A 17 -22.106 -18.793 7.838 1.00 0.00 C ATOM 227 C ILE A 17 -22.824 -19.971 7.190 1.00 0.00 C ATOM 228 O ILE A 17 -22.260 -21.057 7.052 1.00 0.00 O ATOM 229 CB ILE A 17 -21.961 -19.062 9.348 1.00 0.00 C ATOM 230 CG1 ILE A 17 -21.231 -17.901 10.027 1.00 0.00 C ATOM 231 CG2 ILE A 17 -21.223 -20.371 9.585 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.262 -17.970 11.538 1.00 0.00 C ATOM 0 H ILE A 17 -23.093 -17.039 8.426 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.114 -18.689 7.399 1.00 0.00 H new ATOM 0 HB ILE A 17 -22.956 -19.145 9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.194 -17.889 9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.680 -16.962 9.705 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -21.129 -20.547 10.657 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -21.780 -21.190 9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -20.231 -20.315 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.726 -17.116 11.952 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.296 -17.951 11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -20.786 -18.893 11.870 1.00 0.00 H new ATOM 244 N LYS A 18 -24.072 -19.750 6.791 1.00 0.00 N ATOM 245 CA LYS A 18 -24.868 -20.792 6.154 1.00 0.00 C ATOM 246 C LYS A 18 -24.818 -20.661 4.635 1.00 0.00 C ATOM 247 O LYS A 18 -25.631 -21.253 3.925 1.00 0.00 O ATOM 248 CB LYS A 18 -26.319 -20.720 6.635 1.00 0.00 C ATOM 249 CG LYS A 18 -27.046 -22.052 6.576 1.00 0.00 C ATOM 250 CD LYS A 18 -28.538 -21.884 6.812 1.00 0.00 C ATOM 251 CE LYS A 18 -29.301 -23.157 6.481 1.00 0.00 C ATOM 252 NZ LYS A 18 -30.740 -23.053 6.852 1.00 0.00 N ATOM 0 H LYS A 18 -24.554 -18.858 6.898 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.447 -21.758 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -26.335 -20.352 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -26.859 -19.994 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -26.880 -22.515 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -26.632 -22.727 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -28.715 -21.613 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -28.914 -21.064 6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -29.215 -23.365 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -28.850 -23.998 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -31.226 -23.940 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -30.823 -22.880 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -31.177 -22.266 6.331 1.00 0.00 H new ATOM 266 N ALA A 19 -23.858 -19.885 4.143 1.00 0.00 N ATOM 267 CA ALA A 19 -23.701 -19.681 2.708 1.00 0.00 C ATOM 268 C ALA A 19 -22.451 -20.383 2.188 1.00 0.00 C ATOM 269 O ALA A 19 -22.448 -20.927 1.083 1.00 0.00 O ATOM 270 CB ALA A 19 -23.645 -18.194 2.390 1.00 0.00 C ATOM 0 H ALA A 19 -23.177 -19.387 4.717 1.00 0.00 H new ATOM 0 HA ALA A 19 -24.565 -20.116 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -23.528 -18.056 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -24.568 -17.717 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -22.799 -17.743 2.908 1.00 0.00 H new ATOM 276 N ARG A 20 -21.392 -20.366 2.990 1.00 0.00 N ATOM 277 CA ARG A 20 -20.135 -21.000 2.608 1.00 0.00 C ATOM 278 C ARG A 20 -19.472 -21.660 3.813 1.00 0.00 C ATOM 279 O ARG A 20 -19.926 -21.507 4.946 1.00 0.00 O ATOM 280 CB ARG A 20 -19.187 -19.970 1.991 1.00 0.00 C ATOM 281 CG ARG A 20 -19.484 -19.666 0.532 1.00 0.00 C ATOM 282 CD ARG A 20 -18.720 -20.595 -0.398 1.00 0.00 C ATOM 283 NE ARG A 20 -17.346 -20.147 -0.612 1.00 0.00 N ATOM 284 CZ ARG A 20 -16.999 -19.254 -1.532 1.00 0.00 C ATOM 285 NH1 ARG A 20 -17.921 -18.716 -2.320 1.00 0.00 N ATOM 286 NH2 ARG A 20 -15.729 -18.897 -1.666 1.00 0.00 N ATOM 0 H ARG A 20 -21.379 -19.921 3.908 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.355 -21.770 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.245 -19.045 2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.163 -20.334 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.554 -19.766 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.218 -18.632 0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.712 -21.601 0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.236 -20.653 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.613 -20.542 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.899 -18.988 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.652 -18.030 -3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.017 -19.308 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.464 -18.211 -2.373 1.00 0.00 H new ATOM 300 N GLY A 21 -18.393 -22.396 3.560 1.00 0.00 N ATOM 301 CA GLY A 21 -17.685 -23.069 4.633 1.00 0.00 C ATOM 302 C GLY A 21 -16.288 -22.518 4.840 1.00 0.00 C ATOM 303 O GLY A 21 -16.105 -21.518 5.534 1.00 0.00 O ATOM 0 H GLY A 21 -17.997 -22.538 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.253 -22.968 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.623 -24.134 4.411 1.00 0.00 H new ATOM 307 N ALA A 22 -15.300 -23.173 4.239 1.00 0.00 N ATOM 308 CA ALA A 22 -13.913 -22.743 4.362 1.00 0.00 C ATOM 309 C ALA A 22 -13.703 -21.377 3.717 1.00 0.00 C ATOM 310 O ALA A 22 -13.812 -21.232 2.499 1.00 0.00 O ATOM 311 CB ALA A 22 -12.984 -23.773 3.736 1.00 0.00 C ATOM 0 H ALA A 22 -15.435 -24.003 3.662 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.678 -22.655 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.951 -23.439 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.106 -24.730 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.228 -23.889 2.680 1.00 0.00 H new ATOM 317 N ARG A 23 -13.401 -20.379 4.541 1.00 0.00 N ATOM 318 CA ARG A 23 -13.178 -19.024 4.050 1.00 0.00 C ATOM 319 C ARG A 23 -11.694 -18.671 4.086 1.00 0.00 C ATOM 320 O ARG A 23 -10.884 -19.406 4.651 1.00 0.00 O ATOM 321 CB ARG A 23 -13.973 -18.019 4.886 1.00 0.00 C ATOM 322 CG ARG A 23 -15.460 -18.323 4.952 1.00 0.00 C ATOM 323 CD ARG A 23 -16.144 -17.523 6.049 1.00 0.00 C ATOM 324 NE ARG A 23 -15.620 -17.848 7.372 1.00 0.00 N ATOM 325 CZ ARG A 23 -16.315 -17.703 8.495 1.00 0.00 C ATOM 326 NH1 ARG A 23 -17.557 -17.240 8.454 1.00 0.00 N ATOM 327 NH2 ARG A 23 -15.768 -18.021 9.661 1.00 0.00 N ATOM 0 H ARG A 23 -13.305 -20.483 5.551 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.520 -18.977 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.569 -18.001 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.833 -17.021 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.922 -18.095 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.607 -19.388 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.010 -16.458 5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.216 -17.719 6.026 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.667 -18.206 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.980 -16.994 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.089 -17.129 9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.813 -18.377 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.303 -17.909 10.522 1.00 0.00 H new ATOM 341 N ALA A 24 -11.345 -17.542 3.478 1.00 0.00 N ATOM 342 CA ALA A 24 -9.959 -17.091 3.442 1.00 0.00 C ATOM 343 C ALA A 24 -9.873 -15.573 3.561 1.00 0.00 C ATOM 344 O ALA A 24 -10.513 -14.844 2.802 1.00 0.00 O ATOM 345 CB ALA A 24 -9.285 -17.561 2.162 1.00 0.00 C ATOM 0 H ALA A 24 -12.003 -16.923 3.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.438 -17.526 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.251 -17.217 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.306 -18.650 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.814 -17.153 1.301 1.00 0.00 H new ATOM 351 N ILE A 25 -9.080 -15.103 4.518 1.00 0.00 N ATOM 352 CA ILE A 25 -8.910 -13.672 4.735 1.00 0.00 C ATOM 353 C ILE A 25 -7.483 -13.345 5.162 1.00 0.00 C ATOM 354 O ILE A 25 -6.791 -14.182 5.744 1.00 0.00 O ATOM 355 CB ILE A 25 -9.887 -13.145 5.804 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.312 -13.609 5.497 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.823 -11.627 5.877 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.252 -13.493 6.676 1.00 0.00 C ATOM 0 H ILE A 25 -8.545 -15.693 5.156 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.123 -13.182 3.785 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.594 -13.549 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.707 -13.020 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.284 -14.647 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.519 -11.270 6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.811 -11.318 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.094 -11.204 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.244 -13.839 6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.881 -14.104 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.310 -12.452 6.994 1.00 0.00 H new ATOM 370 N LEU A 26 -7.049 -12.124 4.870 1.00 0.00 N ATOM 371 CA LEU A 26 -5.704 -11.685 5.225 1.00 0.00 C ATOM 372 C LEU A 26 -5.753 -10.473 6.149 1.00 0.00 C ATOM 373 O LEU A 26 -6.826 -9.947 6.443 1.00 0.00 O ATOM 374 CB LEU A 26 -4.907 -11.348 3.964 1.00 0.00 C ATOM 375 CG LEU A 26 -4.140 -12.507 3.325 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.024 -12.979 4.243 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.084 -13.654 2.996 1.00 0.00 C ATOM 0 H LEU A 26 -7.609 -11.420 4.388 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.209 -12.501 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.594 -10.940 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.196 -10.559 4.208 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.693 -12.153 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.490 -13.804 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.333 -12.157 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.449 -13.315 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.521 -14.470 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.561 -14.007 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.848 -13.308 2.299 1.00 0.00 H new ATOM 389 N ASP A 27 -4.584 -10.033 6.602 1.00 0.00 N ATOM 390 CA ASP A 27 -4.493 -8.880 7.490 1.00 0.00 C ATOM 391 C ASP A 27 -3.710 -7.748 6.831 1.00 0.00 C ATOM 392 O ASP A 27 -2.481 -7.780 6.776 1.00 0.00 O ATOM 393 CB ASP A 27 -3.828 -9.276 8.809 1.00 0.00 C ATOM 394 CG ASP A 27 -3.140 -8.107 9.485 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.637 -6.968 9.352 1.00 0.00 O ATOM 396 OD2 ASP A 27 -2.106 -8.329 10.148 1.00 0.00 O ATOM 0 H ASP A 27 -3.686 -10.457 6.369 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.504 -8.528 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.580 -9.690 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.099 -10.064 8.622 1.00 0.00 H new ATOM 401 N PHE A 28 -4.431 -6.749 6.333 1.00 0.00 N ATOM 402 CA PHE A 28 -3.804 -5.607 5.677 1.00 0.00 C ATOM 403 C PHE A 28 -4.307 -4.295 6.271 1.00 0.00 C ATOM 404 O PHE A 28 -5.479 -4.150 6.618 1.00 0.00 O ATOM 405 CB PHE A 28 -4.084 -5.640 4.173 1.00 0.00 C ATOM 406 CG PHE A 28 -3.248 -6.642 3.429 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.634 -7.971 3.360 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.077 -6.254 2.798 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.866 -8.894 2.677 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.305 -7.173 2.113 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.700 -8.495 2.051 1.00 0.00 C ATOM 0 H PHE A 28 -5.449 -6.707 6.371 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.728 -5.670 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.138 -5.868 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.905 -4.649 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.545 -8.289 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.764 -5.221 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.177 -9.927 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.394 -6.858 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.100 -9.215 1.515 1.00 0.00 H new ATOM 421 N PRO A 29 -3.399 -3.314 6.390 1.00 0.00 N ATOM 422 CA PRO A 29 -3.727 -1.996 6.942 1.00 0.00 C ATOM 423 C PRO A 29 -4.624 -1.185 6.013 1.00 0.00 C ATOM 424 O PRO A 29 -4.746 -1.493 4.828 1.00 0.00 O ATOM 425 CB PRO A 29 -2.359 -1.323 7.087 1.00 0.00 C ATOM 426 CG PRO A 29 -1.497 -1.997 6.076 1.00 0.00 C ATOM 427 CD PRO A 29 -1.984 -3.417 5.996 1.00 0.00 C ATOM 0 HA PRO A 29 -4.282 -2.072 7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.423 -0.251 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.961 -1.448 8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.573 -1.503 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.448 -1.960 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.875 -3.823 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.427 -4.072 6.666 1.00 0.00 H new ATOM 435 N ASP A 30 -5.250 -0.149 6.560 1.00 0.00 N ATOM 436 CA ASP A 30 -6.135 0.708 5.779 1.00 0.00 C ATOM 437 C ASP A 30 -5.366 1.414 4.667 1.00 0.00 C ATOM 438 O ASP A 30 -5.835 1.501 3.531 1.00 0.00 O ATOM 439 CB ASP A 30 -6.810 1.739 6.684 1.00 0.00 C ATOM 440 CG ASP A 30 -7.591 1.096 7.814 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.291 0.094 7.556 1.00 0.00 O ATOM 442 OD2 ASP A 30 -7.501 1.594 8.955 1.00 0.00 O ATOM 0 H ASP A 30 -5.161 0.118 7.540 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.900 0.080 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.053 2.403 7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.482 2.357 6.088 1.00 0.00 H new ATOM 447 N LYS A 31 -4.184 1.919 5.001 1.00 0.00 N ATOM 448 CA LYS A 31 -3.349 2.619 4.031 1.00 0.00 C ATOM 449 C LYS A 31 -1.887 2.615 4.469 1.00 0.00 C ATOM 450 O LYS A 31 -1.572 2.278 5.611 1.00 0.00 O ATOM 451 CB LYS A 31 -3.835 4.059 3.853 1.00 0.00 C ATOM 452 CG LYS A 31 -3.877 4.851 5.148 1.00 0.00 C ATOM 453 CD LYS A 31 -3.616 6.328 4.907 1.00 0.00 C ATOM 454 CE LYS A 31 -2.158 6.684 5.153 1.00 0.00 C ATOM 455 NZ LYS A 31 -1.994 8.110 5.550 1.00 0.00 N ATOM 0 H LYS A 31 -3.782 1.857 5.936 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.426 2.096 3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.181 4.569 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.832 4.045 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.851 4.725 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.133 4.457 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.886 6.584 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.252 6.923 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.754 6.041 5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.579 6.490 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.118 8.219 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.943 8.704 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.806 8.405 6.129 1.00 0.00 H new ATOM 469 N LEU A 32 -1.000 2.992 3.555 1.00 0.00 N ATOM 470 CA LEU A 32 0.429 3.034 3.847 1.00 0.00 C ATOM 471 C LEU A 32 0.887 4.463 4.121 1.00 0.00 C ATOM 472 O LEU A 32 0.301 5.420 3.618 1.00 0.00 O ATOM 473 CB LEU A 32 1.225 2.445 2.682 1.00 0.00 C ATOM 474 CG LEU A 32 2.619 1.915 3.021 1.00 0.00 C ATOM 475 CD1 LEU A 32 2.575 0.415 3.265 1.00 0.00 C ATOM 476 CD2 LEU A 32 3.601 2.247 1.907 1.00 0.00 C ATOM 0 H LEU A 32 -1.245 3.273 2.606 1.00 0.00 H new ATOM 0 HA LEU A 32 0.610 2.437 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.645 1.631 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.327 3.211 1.913 1.00 0.00 H new ATOM 0 HG LEU A 32 2.959 2.401 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.576 0.056 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.904 0.201 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.214 -0.089 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.588 1.862 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.265 1.789 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.655 3.328 1.780 1.00 0.00 H new ATOM 488 N ASN A 33 1.940 4.598 4.921 1.00 0.00 N ATOM 489 CA ASN A 33 2.478 5.910 5.261 1.00 0.00 C ATOM 490 C ASN A 33 3.992 5.942 5.072 1.00 0.00 C ATOM 491 O ASN A 33 4.737 5.323 5.832 1.00 0.00 O ATOM 492 CB ASN A 33 2.125 6.271 6.705 1.00 0.00 C ATOM 493 CG ASN A 33 2.166 5.068 7.628 1.00 0.00 C ATOM 494 OD1 ASN A 33 3.148 4.325 7.654 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.097 4.872 8.391 1.00 0.00 N ATOM 0 H ASN A 33 2.437 3.815 5.346 1.00 0.00 H new ATOM 0 HA ASN A 33 2.030 6.644 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.820 7.028 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.129 6.713 6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.067 4.080 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.306 5.514 8.336 1.00 0.00 H new ATOM 502 N PHE A 34 4.440 6.669 4.053 1.00 0.00 N ATOM 503 CA PHE A 34 5.865 6.782 3.764 1.00 0.00 C ATOM 504 C PHE A 34 6.412 8.123 4.243 1.00 0.00 C ATOM 505 O PHE A 34 6.130 9.167 3.655 1.00 0.00 O ATOM 506 CB PHE A 34 6.116 6.623 2.263 1.00 0.00 C ATOM 507 CG PHE A 34 6.530 5.234 1.868 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.729 4.701 2.315 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.721 4.461 1.052 1.00 0.00 C ATOM 510 CE1 PHE A 34 8.112 3.424 1.953 1.00 0.00 C ATOM 511 CE2 PHE A 34 6.099 3.183 0.686 1.00 0.00 C ATOM 512 CZ PHE A 34 7.296 2.663 1.138 1.00 0.00 C ATOM 0 H PHE A 34 3.837 7.188 3.414 1.00 0.00 H new ATOM 0 HA PHE A 34 6.383 5.986 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.209 6.891 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.891 7.326 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.371 5.290 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.783 4.862 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.049 3.021 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.459 2.592 0.047 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.593 1.664 0.855 1.00 0.00 H new ATOM 522 N SER A 35 7.196 8.086 5.316 1.00 0.00 N ATOM 523 CA SER A 35 7.780 9.298 5.879 1.00 0.00 C ATOM 524 C SER A 35 8.505 10.102 4.803 1.00 0.00 C ATOM 525 O SER A 35 8.601 9.676 3.651 1.00 0.00 O ATOM 526 CB SER A 35 8.750 8.946 7.008 1.00 0.00 C ATOM 527 OG SER A 35 8.090 8.241 8.045 1.00 0.00 O ATOM 0 H SER A 35 7.441 7.230 5.813 1.00 0.00 H new ATOM 0 HA SER A 35 6.971 9.908 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.567 8.341 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.193 9.858 7.409 1.00 0.00 H new ATOM 0 HG SER A 35 8.731 8.026 8.754 1.00 0.00 H new ATOM 533 N THR A 36 9.014 11.269 5.186 1.00 0.00 N ATOM 534 CA THR A 36 9.728 12.134 4.256 1.00 0.00 C ATOM 535 C THR A 36 10.832 11.370 3.533 1.00 0.00 C ATOM 536 O THR A 36 11.775 10.883 4.158 1.00 0.00 O ATOM 537 CB THR A 36 10.347 13.345 4.979 1.00 0.00 C ATOM 538 OG1 THR A 36 9.357 13.992 5.787 1.00 0.00 O ATOM 539 CG2 THR A 36 10.919 14.338 3.978 1.00 0.00 C ATOM 0 H THR A 36 8.945 11.637 6.135 1.00 0.00 H new ATOM 0 HA THR A 36 8.998 12.488 3.528 1.00 0.00 H new ATOM 0 HB THR A 36 11.156 12.986 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.759 14.760 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.351 15.185 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.692 13.851 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.124 14.690 3.320 1.00 0.00 H new ATOM 547 N CYS A 37 10.708 11.270 2.214 1.00 0.00 N ATOM 548 CA CYS A 37 11.696 10.564 1.405 1.00 0.00 C ATOM 549 C CYS A 37 12.075 11.382 0.175 1.00 0.00 C ATOM 550 O CYS A 37 11.333 12.258 -0.272 1.00 0.00 O ATOM 551 CB CYS A 37 11.156 9.199 0.979 1.00 0.00 C ATOM 552 SG CYS A 37 9.455 9.237 0.365 1.00 0.00 S ATOM 0 H CYS A 37 9.934 11.668 1.682 1.00 0.00 H new ATOM 0 HA CYS A 37 12.590 10.419 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.802 8.791 0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.209 8.518 1.828 1.00 0.00 H new ATOM 0 HG CYS A 37 8.640 9.446 1.356 1.00 0.00 H new ATOM 558 N PRO A 38 13.258 11.093 -0.387 1.00 0.00 N ATOM 559 CA PRO A 38 13.763 11.791 -1.573 1.00 0.00 C ATOM 560 C PRO A 38 12.971 11.446 -2.830 1.00 0.00 C ATOM 561 O PRO A 38 12.609 10.290 -3.049 1.00 0.00 O ATOM 562 CB PRO A 38 15.204 11.288 -1.694 1.00 0.00 C ATOM 563 CG PRO A 38 15.199 9.959 -1.022 1.00 0.00 C ATOM 564 CD PRO A 38 14.194 10.062 0.092 1.00 0.00 C ATOM 0 HA PRO A 38 13.682 12.873 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.507 11.203 -2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.904 11.972 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.926 9.169 -1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.188 9.714 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.690 9.112 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.664 10.352 1.032 1.00 0.00 H new ATOM 572 N VAL A 39 12.706 12.456 -3.653 1.00 0.00 N ATOM 573 CA VAL A 39 11.959 12.259 -4.889 1.00 0.00 C ATOM 574 C VAL A 39 12.714 11.346 -5.848 1.00 0.00 C ATOM 575 O VAL A 39 12.288 10.224 -6.122 1.00 0.00 O ATOM 576 CB VAL A 39 11.672 13.599 -5.591 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.914 14.477 -5.594 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.173 13.362 -7.008 1.00 0.00 C ATOM 0 H VAL A 39 12.998 13.419 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 39 11.013 11.791 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 39 10.890 14.119 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.692 15.420 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.222 14.675 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.719 13.967 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.975 14.320 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.931 12.821 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.255 12.775 -6.977 1.00 0.00 H new ATOM 588 N LYS A 40 13.840 11.835 -6.357 1.00 0.00 N ATOM 589 CA LYS A 40 14.658 11.064 -7.286 1.00 0.00 C ATOM 590 C LYS A 40 14.895 9.652 -6.759 1.00 0.00 C ATOM 591 O LYS A 40 14.496 8.670 -7.386 1.00 0.00 O ATOM 592 CB LYS A 40 15.999 11.764 -7.519 1.00 0.00 C ATOM 593 CG LYS A 40 15.985 12.730 -8.691 1.00 0.00 C ATOM 594 CD LYS A 40 15.344 14.055 -8.315 1.00 0.00 C ATOM 595 CE LYS A 40 15.661 15.137 -9.335 1.00 0.00 C ATOM 596 NZ LYS A 40 14.867 16.374 -9.096 1.00 0.00 N ATOM 0 H LYS A 40 14.207 12.762 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 40 14.122 10.995 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.278 12.306 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.768 11.010 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.005 12.903 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.441 12.285 -9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.264 13.929 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.698 14.365 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.724 15.374 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.456 14.762 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.112 17.087 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.853 16.153 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.081 16.746 -8.149 1.00 0.00 H new ATOM 610 N TYR A 41 15.545 9.557 -5.605 1.00 0.00 N ATOM 611 CA TYR A 41 15.835 8.265 -4.995 1.00 0.00 C ATOM 612 C TYR A 41 14.573 7.415 -4.892 1.00 0.00 C ATOM 613 O TYR A 41 13.457 7.931 -4.954 1.00 0.00 O ATOM 614 CB TYR A 41 16.447 8.459 -3.606 1.00 0.00 C ATOM 615 CG TYR A 41 17.959 8.478 -3.608 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.688 7.295 -3.606 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.659 9.678 -3.611 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.069 7.307 -3.607 1.00 0.00 C ATOM 619 CE2 TYR A 41 20.040 9.700 -3.614 1.00 0.00 C ATOM 620 CZ TYR A 41 20.741 8.512 -3.611 1.00 0.00 C ATOM 621 OH TYR A 41 22.117 8.529 -3.613 1.00 0.00 O ATOM 0 H TYR A 41 15.881 10.360 -5.073 1.00 0.00 H new ATOM 0 HA TYR A 41 16.551 7.744 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.081 9.395 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.103 7.658 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.166 6.350 -3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.114 10.610 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.620 6.378 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.568 10.642 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 41 22.433 9.457 -3.617 1.00 0.00 H new ATOM 631 N SER A 42 14.758 6.109 -4.733 1.00 0.00 N ATOM 632 CA SER A 42 13.635 5.185 -4.625 1.00 0.00 C ATOM 633 C SER A 42 13.279 4.932 -3.163 1.00 0.00 C ATOM 634 O SER A 42 14.118 5.074 -2.273 1.00 0.00 O ATOM 635 CB SER A 42 13.967 3.861 -5.316 1.00 0.00 C ATOM 636 OG SER A 42 15.077 3.229 -4.702 1.00 0.00 O ATOM 0 H SER A 42 15.675 5.666 -4.676 1.00 0.00 H new ATOM 0 HA SER A 42 12.775 5.638 -5.118 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.101 3.200 -5.277 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.184 4.041 -6.369 1.00 0.00 H new ATOM 0 HG SER A 42 15.268 2.384 -5.161 1.00 0.00 H new ATOM 642 N THR A 43 12.026 4.557 -2.922 1.00 0.00 N ATOM 643 CA THR A 43 11.556 4.285 -1.569 1.00 0.00 C ATOM 644 C THR A 43 11.104 2.837 -1.425 1.00 0.00 C ATOM 645 O THR A 43 10.479 2.280 -2.326 1.00 0.00 O ATOM 646 CB THR A 43 10.392 5.216 -1.182 1.00 0.00 C ATOM 647 OG1 THR A 43 10.781 6.584 -1.351 1.00 0.00 O ATOM 648 CG2 THR A 43 9.966 4.979 0.259 1.00 0.00 C ATOM 0 H THR A 43 11.319 4.435 -3.647 1.00 0.00 H new ATOM 0 HA THR A 43 12.396 4.468 -0.899 1.00 0.00 H new ATOM 0 HB THR A 43 9.547 4.996 -1.835 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.244 7.152 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.143 5.648 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.642 3.945 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.807 5.174 0.924 1.00 0.00 H new ATOM 656 N GLN A 44 11.424 2.233 -0.285 1.00 0.00 N ATOM 657 CA GLN A 44 11.050 0.848 -0.023 1.00 0.00 C ATOM 658 C GLN A 44 10.585 0.673 1.419 1.00 0.00 C ATOM 659 O GLN A 44 10.981 1.429 2.307 1.00 0.00 O ATOM 660 CB GLN A 44 12.229 -0.083 -0.308 1.00 0.00 C ATOM 661 CG GLN A 44 12.529 -0.248 -1.789 1.00 0.00 C ATOM 662 CD GLN A 44 13.473 0.815 -2.315 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.678 0.773 -2.062 1.00 0.00 O ATOM 664 NE2 GLN A 44 12.930 1.776 -3.053 1.00 0.00 N ATOM 0 H GLN A 44 11.941 2.681 0.472 1.00 0.00 H new ATOM 0 HA GLN A 44 10.224 0.590 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.116 0.304 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.021 -1.062 0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.965 -1.232 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.596 -0.210 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.927 1.772 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.516 2.518 -3.435 1.00 0.00 H new ATOM 673 N LYS A 45 9.743 -0.329 1.647 1.00 0.00 N ATOM 674 CA LYS A 45 9.225 -0.606 2.981 1.00 0.00 C ATOM 675 C LYS A 45 8.728 -2.044 3.085 1.00 0.00 C ATOM 676 O LYS A 45 8.446 -2.688 2.073 1.00 0.00 O ATOM 677 CB LYS A 45 8.089 0.362 3.320 1.00 0.00 C ATOM 678 CG LYS A 45 8.043 0.756 4.786 1.00 0.00 C ATOM 679 CD LYS A 45 7.517 2.170 4.967 1.00 0.00 C ATOM 680 CE LYS A 45 6.015 2.240 4.736 1.00 0.00 C ATOM 681 NZ LYS A 45 5.256 1.528 5.801 1.00 0.00 N ATOM 0 H LYS A 45 9.404 -0.964 0.924 1.00 0.00 H new ATOM 0 HA LYS A 45 10.038 -0.469 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.196 1.262 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.139 -0.096 3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.408 0.058 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.042 0.681 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.748 2.519 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.025 2.840 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.701 3.283 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.776 1.804 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.258 1.818 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.324 0.501 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.656 1.767 6.731 1.00 0.00 H new ATOM 695 N ILE A 46 8.623 -2.542 4.312 1.00 0.00 N ATOM 696 CA ILE A 46 8.158 -3.903 4.547 1.00 0.00 C ATOM 697 C ILE A 46 6.762 -3.910 5.161 1.00 0.00 C ATOM 698 O ILE A 46 6.417 -3.032 5.953 1.00 0.00 O ATOM 699 CB ILE A 46 9.118 -4.675 5.472 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.508 -4.764 4.840 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.571 -6.064 5.762 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.542 -5.583 3.568 1.00 0.00 C ATOM 0 H ILE A 46 8.854 -2.023 5.159 1.00 0.00 H new ATOM 0 HA ILE A 46 8.127 -4.397 3.576 1.00 0.00 H new ATOM 0 HB ILE A 46 9.203 -4.136 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.865 -3.757 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.199 -5.199 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.260 -6.597 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.600 -5.978 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.460 -6.614 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.559 -5.603 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.216 -6.601 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.876 -5.136 2.830 1.00 0.00 H new ATOM 714 N LEU A 47 5.964 -4.905 4.793 1.00 0.00 N ATOM 715 CA LEU A 47 4.605 -5.028 5.310 1.00 0.00 C ATOM 716 C LEU A 47 4.320 -6.458 5.757 1.00 0.00 C ATOM 717 O LEU A 47 4.138 -7.353 4.931 1.00 0.00 O ATOM 718 CB LEU A 47 3.593 -4.603 4.245 1.00 0.00 C ATOM 719 CG LEU A 47 2.194 -5.206 4.369 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.458 -4.608 5.558 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.404 -4.990 3.087 1.00 0.00 C ATOM 0 H LEU A 47 6.234 -5.639 4.138 1.00 0.00 H new ATOM 0 HA LEU A 47 4.511 -4.371 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.502 -3.517 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.994 -4.865 3.266 1.00 0.00 H new ATOM 0 HG LEU A 47 2.295 -6.279 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.464 -5.049 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.014 -4.815 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.367 -3.530 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.411 -5.426 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.312 -3.922 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.922 -5.468 2.255 1.00 0.00 H new ATOM 733 N LEU A 48 4.279 -6.665 7.068 1.00 0.00 N ATOM 734 CA LEU A 48 4.013 -7.987 7.626 1.00 0.00 C ATOM 735 C LEU A 48 2.538 -8.348 7.489 1.00 0.00 C ATOM 736 O LEU A 48 1.661 -7.589 7.902 1.00 0.00 O ATOM 737 CB LEU A 48 4.427 -8.033 9.098 1.00 0.00 C ATOM 738 CG LEU A 48 4.615 -9.427 9.699 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.311 -10.207 9.657 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.713 -10.181 8.962 1.00 0.00 C ATOM 0 H LEU A 48 4.426 -5.935 7.765 1.00 0.00 H new ATOM 0 HA LEU A 48 4.600 -8.716 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.361 -7.482 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.674 -7.505 9.683 1.00 0.00 H new ATOM 0 HG LEU A 48 4.914 -9.315 10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.465 -11.196 10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.550 -9.675 10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.982 -10.310 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.834 -11.171 9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.442 -10.282 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.650 -9.631 9.044 1.00 0.00 H new ATOM 752 N VAL A 49 2.271 -9.514 6.909 1.00 0.00 N ATOM 753 CA VAL A 49 0.902 -9.979 6.721 1.00 0.00 C ATOM 754 C VAL A 49 0.646 -11.265 7.498 1.00 0.00 C ATOM 755 O VAL A 49 1.535 -12.106 7.635 1.00 0.00 O ATOM 756 CB VAL A 49 0.591 -10.220 5.232 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.893 -10.488 5.033 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.044 -9.034 4.394 1.00 0.00 C ATOM 0 H VAL A 49 2.985 -10.154 6.561 1.00 0.00 H new ATOM 0 HA VAL A 49 0.247 -9.194 7.099 1.00 0.00 H new ATOM 0 HB VAL A 49 1.142 -11.100 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.094 -10.656 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.183 -11.371 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.468 -9.629 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.816 -9.222 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.522 -8.135 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.118 -8.894 4.513 1.00 0.00 H new ATOM 768 N ARG A 50 -0.574 -11.412 8.004 1.00 0.00 N ATOM 769 CA ARG A 50 -0.947 -12.597 8.767 1.00 0.00 C ATOM 770 C ARG A 50 -2.331 -13.093 8.360 1.00 0.00 C ATOM 771 O ARG A 50 -3.269 -12.307 8.229 1.00 0.00 O ATOM 772 CB ARG A 50 -0.923 -12.292 10.266 1.00 0.00 C ATOM 773 CG ARG A 50 -0.981 -13.533 11.142 1.00 0.00 C ATOM 774 CD ARG A 50 -2.406 -13.846 11.571 1.00 0.00 C ATOM 775 NE ARG A 50 -2.446 -14.650 12.790 1.00 0.00 N ATOM 776 CZ ARG A 50 -2.455 -15.978 12.794 1.00 0.00 C ATOM 777 NH1 ARG A 50 -2.425 -16.648 11.650 1.00 0.00 N ATOM 778 NH2 ARG A 50 -2.492 -16.639 13.944 1.00 0.00 N ATOM 0 H ARG A 50 -1.321 -10.725 7.899 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.221 -13.381 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.016 -11.735 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.766 -11.646 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.569 -14.383 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.358 -13.386 12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.949 -12.915 11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.918 -14.378 10.769 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.468 -14.165 13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.395 -16.143 10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.432 -17.668 11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.514 -16.127 14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.499 -17.659 13.946 1.00 0.00 H new ATOM 792 N ASN A 51 -2.450 -14.402 8.162 1.00 0.00 N ATOM 793 CA ASN A 51 -3.720 -15.003 7.769 1.00 0.00 C ATOM 794 C ASN A 51 -4.683 -15.061 8.950 1.00 0.00 C ATOM 795 O ASN A 51 -4.408 -15.714 9.957 1.00 0.00 O ATOM 796 CB ASN A 51 -3.491 -16.410 7.213 1.00 0.00 C ATOM 797 CG ASN A 51 -4.704 -16.945 6.477 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.781 -17.092 7.056 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.535 -17.238 5.193 1.00 0.00 N ATOM 0 H ASN A 51 -1.683 -15.066 8.267 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.164 -14.380 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.636 -16.396 6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.239 -17.085 8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.316 -17.601 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.625 -17.100 4.754 1.00 0.00 H new ATOM 806 N ILE A 52 -5.813 -14.374 8.819 1.00 0.00 N ATOM 807 CA ILE A 52 -6.818 -14.349 9.875 1.00 0.00 C ATOM 808 C ILE A 52 -8.035 -15.186 9.496 1.00 0.00 C ATOM 809 O ILE A 52 -9.098 -15.065 10.103 1.00 0.00 O ATOM 810 CB ILE A 52 -7.274 -12.911 10.184 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.724 -12.208 8.901 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.153 -12.132 10.856 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.304 -10.831 9.137 1.00 0.00 C ATOM 0 H ILE A 52 -6.055 -13.828 7.993 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.352 -14.773 10.764 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.121 -12.954 10.869 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.873 -12.124 8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.469 -12.826 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.491 -11.118 11.068 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.876 -12.624 11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.288 -12.095 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.601 -10.393 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.175 -10.910 9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.554 -10.197 9.610 1.00 0.00 H new ATOM 825 N GLY A 53 -7.870 -16.037 8.487 1.00 0.00 N ATOM 826 CA GLY A 53 -8.963 -16.884 8.045 1.00 0.00 C ATOM 827 C GLY A 53 -8.848 -18.300 8.572 1.00 0.00 C ATOM 828 O GLY A 53 -8.188 -18.543 9.581 1.00 0.00 O ATOM 0 H GLY A 53 -7.000 -16.155 7.968 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.909 -16.453 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.984 -16.906 6.955 1.00 0.00 H new ATOM 832 N ASN A 54 -9.495 -19.238 7.887 1.00 0.00 N ATOM 833 CA ASN A 54 -9.464 -20.639 8.293 1.00 0.00 C ATOM 834 C ASN A 54 -8.817 -21.504 7.216 1.00 0.00 C ATOM 835 O ASN A 54 -8.147 -22.492 7.517 1.00 0.00 O ATOM 836 CB ASN A 54 -10.881 -21.139 8.581 1.00 0.00 C ATOM 837 CG ASN A 54 -11.034 -22.625 8.321 1.00 0.00 C ATOM 838 OD1 ASN A 54 -10.394 -23.450 8.973 1.00 0.00 O ATOM 839 ND2 ASN A 54 -11.885 -22.973 7.362 1.00 0.00 N ATOM 0 H ASN A 54 -10.047 -19.054 7.049 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.867 -20.715 9.202 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.134 -20.927 9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.590 -20.590 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.029 -23.958 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.394 -22.255 6.847 1.00 0.00 H new ATOM 846 N LYS A 55 -9.021 -21.125 5.959 1.00 0.00 N ATOM 847 CA LYS A 55 -8.457 -21.863 4.835 1.00 0.00 C ATOM 848 C LYS A 55 -7.368 -21.050 4.142 1.00 0.00 C ATOM 849 O LYS A 55 -7.297 -19.832 4.296 1.00 0.00 O ATOM 850 CB LYS A 55 -9.555 -22.224 3.833 1.00 0.00 C ATOM 851 CG LYS A 55 -9.292 -23.518 3.082 1.00 0.00 C ATOM 852 CD LYS A 55 -8.611 -23.261 1.748 1.00 0.00 C ATOM 853 CE LYS A 55 -9.628 -23.046 0.637 1.00 0.00 C ATOM 854 NZ LYS A 55 -9.102 -22.149 -0.429 1.00 0.00 N ATOM 0 H LYS A 55 -9.573 -20.310 5.693 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.011 -22.780 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.505 -22.307 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.661 -21.412 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.667 -24.172 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.234 -24.041 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.968 -22.385 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.969 -24.105 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.899 -24.008 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.539 -22.618 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.894 -21.664 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.466 -21.443 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.578 -22.712 -1.129 1.00 0.00 H new ATOM 868 N ASN A 56 -6.522 -21.733 3.377 1.00 0.00 N ATOM 869 CA ASN A 56 -5.437 -21.073 2.659 1.00 0.00 C ATOM 870 C ASN A 56 -5.964 -19.904 1.833 1.00 0.00 C ATOM 871 O ASN A 56 -6.773 -20.088 0.924 1.00 0.00 O ATOM 872 CB ASN A 56 -4.718 -22.072 1.750 1.00 0.00 C ATOM 873 CG ASN A 56 -3.378 -21.552 1.267 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.411 -21.495 2.027 1.00 0.00 O ATOM 875 ND2 ASN A 56 -3.315 -21.170 -0.003 1.00 0.00 N ATOM 0 H ASN A 56 -6.567 -22.743 3.238 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.730 -20.686 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.569 -23.008 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.349 -22.296 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.440 -20.812 -0.385 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.142 -21.235 -0.597 1.00 0.00 H new ATOM 882 N ALA A 57 -5.498 -18.702 2.155 1.00 0.00 N ATOM 883 CA ALA A 57 -5.920 -17.503 1.441 1.00 0.00 C ATOM 884 C ALA A 57 -4.945 -17.160 0.320 1.00 0.00 C ATOM 885 O ALA A 57 -3.730 -17.283 0.480 1.00 0.00 O ATOM 886 CB ALA A 57 -6.051 -16.333 2.405 1.00 0.00 C ATOM 0 H ALA A 57 -4.828 -18.532 2.905 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.894 -17.701 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.367 -15.445 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.792 -16.572 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.089 -16.144 2.880 1.00 0.00 H new ATOM 892 N VAL A 58 -5.484 -16.730 -0.816 1.00 0.00 N ATOM 893 CA VAL A 58 -4.661 -16.369 -1.964 1.00 0.00 C ATOM 894 C VAL A 58 -4.962 -14.949 -2.431 1.00 0.00 C ATOM 895 O VAL A 58 -6.055 -14.663 -2.920 1.00 0.00 O ATOM 896 CB VAL A 58 -4.880 -17.340 -3.139 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.056 -16.915 -4.345 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.537 -18.763 -2.724 1.00 0.00 C ATOM 0 H VAL A 58 -6.487 -16.623 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.622 -16.430 -1.640 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.933 -17.311 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.224 -17.613 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.354 -15.913 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.998 -16.913 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.697 -19.436 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.493 -18.810 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.175 -19.063 -1.893 1.00 0.00 H new ATOM 908 N PHE A 59 -3.984 -14.062 -2.277 1.00 0.00 N ATOM 909 CA PHE A 59 -4.144 -12.670 -2.683 1.00 0.00 C ATOM 910 C PHE A 59 -3.224 -12.336 -3.854 1.00 0.00 C ATOM 911 O PHE A 59 -2.082 -12.794 -3.911 1.00 0.00 O ATOM 912 CB PHE A 59 -3.850 -11.737 -1.506 1.00 0.00 C ATOM 913 CG PHE A 59 -2.556 -12.044 -0.807 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.471 -13.095 0.092 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.425 -11.280 -1.048 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.282 -13.379 0.737 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.234 -11.560 -0.406 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.163 -12.611 0.488 1.00 0.00 C ATOM 0 H PHE A 59 -3.073 -14.282 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.176 -12.527 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.824 -10.708 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.667 -11.803 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.344 -13.699 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.475 -10.457 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.229 -14.201 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.641 -10.958 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.767 -12.831 0.991 1.00 0.00 H new ATOM 928 N HIS A 60 -3.730 -11.535 -4.786 1.00 0.00 N ATOM 929 CA HIS A 60 -2.955 -11.139 -5.956 1.00 0.00 C ATOM 930 C HIS A 60 -3.034 -9.631 -6.176 1.00 0.00 C ATOM 931 O HIS A 60 -4.040 -9.118 -6.667 1.00 0.00 O ATOM 932 CB HIS A 60 -3.456 -11.874 -7.199 1.00 0.00 C ATOM 933 CG HIS A 60 -2.656 -11.583 -8.431 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.616 -12.428 -9.520 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.863 -10.531 -8.744 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.832 -11.910 -10.448 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.362 -10.758 -10.002 1.00 0.00 N ATOM 0 H HIS A 60 -4.673 -11.148 -4.754 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.914 -11.408 -5.779 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.437 -12.947 -7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.496 -11.600 -7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.662 -9.673 -8.120 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.612 -12.353 -11.408 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.730 -10.139 -10.510 1.00 0.00 H new ATOM 946 N ILE A 61 -1.969 -8.927 -5.807 1.00 0.00 N ATOM 947 CA ILE A 61 -1.919 -7.479 -5.964 1.00 0.00 C ATOM 948 C ILE A 61 -1.338 -7.093 -7.320 1.00 0.00 C ATOM 949 O ILE A 61 -0.522 -7.819 -7.889 1.00 0.00 O ATOM 950 CB ILE A 61 -1.081 -6.821 -4.853 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.525 -7.330 -3.480 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.201 -5.306 -4.926 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.426 -7.304 -2.441 1.00 0.00 C ATOM 0 H ILE A 61 -1.129 -9.336 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.945 -7.118 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.035 -7.091 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.360 -6.723 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.893 -8.351 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.603 -4.855 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.842 -4.959 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.245 -5.017 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.813 -7.678 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.401 -7.934 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.073 -6.281 -2.310 1.00 0.00 H new ATOM 965 N LYS A 62 -1.761 -5.942 -7.833 1.00 0.00 N ATOM 966 CA LYS A 62 -1.281 -5.456 -9.121 1.00 0.00 C ATOM 967 C LYS A 62 -1.196 -3.933 -9.130 1.00 0.00 C ATOM 968 O LYS A 62 -2.186 -3.244 -8.882 1.00 0.00 O ATOM 969 CB LYS A 62 -2.203 -5.933 -10.246 1.00 0.00 C ATOM 970 CG LYS A 62 -1.491 -6.133 -11.572 1.00 0.00 C ATOM 971 CD LYS A 62 -1.097 -4.806 -12.199 1.00 0.00 C ATOM 972 CE LYS A 62 -0.524 -4.997 -13.595 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.519 -5.598 -14.526 1.00 0.00 N ATOM 0 H LYS A 62 -2.436 -5.328 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.282 -5.859 -9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.670 -6.872 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.005 -5.207 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.601 -6.743 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.140 -6.681 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.968 -4.153 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.361 -4.308 -11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.195 -4.035 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.356 -5.637 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.226 -5.421 -15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.574 -6.623 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.452 -5.170 -14.361 1.00 0.00 H new ATOM 987 N THR A 63 -0.007 -3.413 -9.420 1.00 0.00 N ATOM 988 CA THR A 63 0.206 -1.972 -9.462 1.00 0.00 C ATOM 989 C THR A 63 1.179 -1.592 -10.573 1.00 0.00 C ATOM 990 O THR A 63 1.798 -2.459 -11.192 1.00 0.00 O ATOM 991 CB THR A 63 0.748 -1.445 -8.119 1.00 0.00 C ATOM 992 OG1 THR A 63 0.644 -0.017 -8.075 1.00 0.00 O ATOM 993 CG2 THR A 63 2.198 -1.859 -7.920 1.00 0.00 C ATOM 0 H THR A 63 0.823 -3.968 -9.629 1.00 0.00 H new ATOM 0 HA THR A 63 -0.764 -1.515 -9.659 1.00 0.00 H new ATOM 0 HB THR A 63 0.150 -1.878 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.837 0.297 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.558 -1.475 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.270 -2.947 -7.924 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.807 -1.452 -8.727 1.00 0.00 H new ATOM 1001 N CYS A 64 1.309 -0.294 -10.820 1.00 0.00 N ATOM 1002 CA CYS A 64 2.207 0.201 -11.858 1.00 0.00 C ATOM 1003 C CYS A 64 3.047 1.364 -11.341 1.00 0.00 C ATOM 1004 O CYS A 64 2.636 2.083 -10.430 1.00 0.00 O ATOM 1005 CB CYS A 64 1.408 0.639 -13.086 1.00 0.00 C ATOM 1006 SG CYS A 64 0.168 1.910 -12.746 1.00 0.00 S ATOM 0 H CYS A 64 0.804 0.435 -10.316 1.00 0.00 H new ATOM 0 HA CYS A 64 2.878 -0.610 -12.141 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.099 1.014 -13.841 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.912 -0.233 -13.513 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.453 2.216 -13.846 1.00 0.00 H new ATOM 1012 N ARG A 65 4.226 1.542 -11.928 1.00 0.00 N ATOM 1013 CA ARG A 65 5.126 2.616 -11.524 1.00 0.00 C ATOM 1014 C ARG A 65 4.405 3.961 -11.532 1.00 0.00 C ATOM 1015 O ARG A 65 3.391 4.145 -12.205 1.00 0.00 O ATOM 1016 CB ARG A 65 6.339 2.670 -12.454 1.00 0.00 C ATOM 1017 CG ARG A 65 6.108 3.496 -13.709 1.00 0.00 C ATOM 1018 CD ARG A 65 7.279 3.384 -14.673 1.00 0.00 C ATOM 1019 NE ARG A 65 7.575 1.996 -15.016 1.00 0.00 N ATOM 1020 CZ ARG A 65 8.382 1.218 -14.303 1.00 0.00 C ATOM 1021 NH1 ARG A 65 8.971 1.691 -13.213 1.00 0.00 N ATOM 1022 NH2 ARG A 65 8.602 -0.035 -14.680 1.00 0.00 N ATOM 0 H ARG A 65 4.580 0.957 -12.685 1.00 0.00 H new ATOM 0 HA ARG A 65 5.464 2.410 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.187 3.084 -11.908 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.611 1.655 -12.742 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.196 3.162 -14.203 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.959 4.541 -13.436 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.055 3.942 -15.582 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.161 3.843 -14.227 1.00 0.00 H new ATOM 0 HE ARG A 65 7.138 1.602 -15.849 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.805 2.654 -12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.590 1.092 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.151 -0.402 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.222 -0.631 -14.132 1.00 0.00 H new ATOM 1036 N PRO A 66 4.940 4.924 -10.767 1.00 0.00 N ATOM 1037 CA PRO A 66 6.146 4.716 -9.961 1.00 0.00 C ATOM 1038 C PRO A 66 5.903 3.778 -8.783 1.00 0.00 C ATOM 1039 O PRO A 66 6.807 3.514 -7.990 1.00 0.00 O ATOM 1040 CB PRO A 66 6.487 6.123 -9.463 1.00 0.00 C ATOM 1041 CG PRO A 66 5.189 6.853 -9.475 1.00 0.00 C ATOM 1042 CD PRO A 66 4.406 6.289 -10.628 1.00 0.00 C ATOM 0 HA PRO A 66 6.944 4.247 -10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.917 6.095 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.219 6.606 -10.111 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.655 6.714 -8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.345 7.925 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.336 6.283 -10.422 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.552 6.872 -11.537 1.00 0.00 H new ATOM 1050 N PHE A 67 4.676 3.279 -8.675 1.00 0.00 N ATOM 1051 CA PHE A 67 4.314 2.371 -7.593 1.00 0.00 C ATOM 1052 C PHE A 67 4.467 0.916 -8.029 1.00 0.00 C ATOM 1053 O PHE A 67 3.827 0.472 -8.982 1.00 0.00 O ATOM 1054 CB PHE A 67 2.875 2.631 -7.141 1.00 0.00 C ATOM 1055 CG PHE A 67 2.766 3.657 -6.049 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.395 3.460 -4.830 1.00 0.00 C ATOM 1057 CD2 PHE A 67 2.035 4.817 -6.242 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.297 4.403 -3.824 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.933 5.763 -5.240 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.564 5.555 -4.029 1.00 0.00 C ATOM 0 H PHE A 67 3.916 3.488 -9.323 1.00 0.00 H new ATOM 0 HA PHE A 67 4.989 2.554 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.287 2.960 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.437 1.695 -6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.968 2.560 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.539 4.984 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.793 4.239 -2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.361 6.664 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.484 6.292 -3.244 1.00 0.00 H new ATOM 1070 N SER A 68 5.320 0.180 -7.324 1.00 0.00 N ATOM 1071 CA SER A 68 5.561 -1.223 -7.640 1.00 0.00 C ATOM 1072 C SER A 68 5.885 -2.016 -6.378 1.00 0.00 C ATOM 1073 O SER A 68 6.659 -1.568 -5.531 1.00 0.00 O ATOM 1074 CB SER A 68 6.708 -1.351 -8.645 1.00 0.00 C ATOM 1075 OG SER A 68 6.405 -0.677 -9.854 1.00 0.00 O ATOM 0 H SER A 68 5.856 0.532 -6.530 1.00 0.00 H new ATOM 0 HA SER A 68 4.652 -1.632 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.621 -0.939 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.900 -2.404 -8.850 1.00 0.00 H new ATOM 0 HG SER A 68 7.154 -0.773 -10.478 1.00 0.00 H new ATOM 1081 N ILE A 69 5.286 -3.197 -6.259 1.00 0.00 N ATOM 1082 CA ILE A 69 5.511 -4.054 -5.101 1.00 0.00 C ATOM 1083 C ILE A 69 5.749 -5.499 -5.525 1.00 0.00 C ATOM 1084 O ILE A 69 5.541 -5.858 -6.683 1.00 0.00 O ATOM 1085 CB ILE A 69 4.319 -4.006 -4.126 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.239 -5.000 -4.558 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.751 -2.597 -4.053 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.654 -4.702 -5.921 1.00 0.00 C ATOM 0 H ILE A 69 4.642 -3.582 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 69 6.399 -3.676 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 69 4.669 -4.287 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.663 -6.004 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.438 -4.997 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.910 -2.579 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.523 -1.911 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.413 -2.289 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.895 -5.447 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.200 -3.711 -5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.444 -4.733 -6.671 1.00 0.00 H new ATOM 1100 N GLU A 70 6.186 -6.323 -4.578 1.00 0.00 N ATOM 1101 CA GLU A 70 6.451 -7.730 -4.854 1.00 0.00 C ATOM 1102 C GLU A 70 6.654 -8.510 -3.558 1.00 0.00 C ATOM 1103 O GLU A 70 7.086 -7.969 -2.539 1.00 0.00 O ATOM 1104 CB GLU A 70 7.686 -7.874 -5.747 1.00 0.00 C ATOM 1105 CG GLU A 70 8.993 -7.585 -5.028 1.00 0.00 C ATOM 1106 CD GLU A 70 9.362 -6.115 -5.056 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.057 -5.696 -6.006 1.00 0.00 O ATOM 1108 OE2 GLU A 70 8.957 -5.383 -4.129 1.00 0.00 O ATOM 0 H GLU A 70 6.364 -6.041 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 70 5.585 -8.141 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.718 -8.887 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.591 -7.198 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.915 -7.916 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.793 -8.165 -5.489 1.00 0.00 H new ATOM 1115 N PRO A 71 6.334 -9.812 -3.595 1.00 0.00 N ATOM 1116 CA PRO A 71 5.819 -10.466 -4.801 1.00 0.00 C ATOM 1117 C PRO A 71 4.406 -10.009 -5.150 1.00 0.00 C ATOM 1118 O PRO A 71 3.513 -10.022 -4.304 1.00 0.00 O ATOM 1119 CB PRO A 71 5.823 -11.951 -4.429 1.00 0.00 C ATOM 1120 CG PRO A 71 5.721 -11.969 -2.943 1.00 0.00 C ATOM 1121 CD PRO A 71 6.451 -10.746 -2.462 1.00 0.00 C ATOM 0 HA PRO A 71 6.420 -10.231 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.987 -12.477 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.735 -12.442 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.679 -11.952 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.166 -12.875 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.000 -10.339 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.493 -10.966 -2.228 1.00 0.00 H new ATOM 1129 N ALA A 72 4.212 -9.606 -6.402 1.00 0.00 N ATOM 1130 CA ALA A 72 2.908 -9.148 -6.863 1.00 0.00 C ATOM 1131 C ALA A 72 1.797 -10.071 -6.374 1.00 0.00 C ATOM 1132 O ALA A 72 0.665 -9.635 -6.158 1.00 0.00 O ATOM 1133 CB ALA A 72 2.888 -9.053 -8.381 1.00 0.00 C ATOM 0 H ALA A 72 4.942 -9.588 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 72 2.731 -8.157 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.908 -8.710 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.650 -8.347 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.092 -10.034 -8.810 1.00 0.00 H new ATOM 1139 N ILE A 73 2.127 -11.346 -6.202 1.00 0.00 N ATOM 1140 CA ILE A 73 1.156 -12.330 -5.738 1.00 0.00 C ATOM 1141 C ILE A 73 1.808 -13.351 -4.811 1.00 0.00 C ATOM 1142 O ILE A 73 2.990 -13.662 -4.947 1.00 0.00 O ATOM 1143 CB ILE A 73 0.498 -13.071 -6.917 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.452 -14.153 -6.401 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.560 -13.677 -7.821 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.340 -14.741 -7.475 1.00 0.00 C ATOM 0 H ILE A 73 3.059 -11.722 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 73 0.389 -11.782 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.081 -12.354 -7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.134 -14.953 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.078 -13.731 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.079 -14.197 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.200 -12.886 -8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.164 -14.383 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.987 -15.501 -7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.952 -13.953 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.722 -15.194 -8.251 1.00 0.00 H new ATOM 1158 N GLY A 74 1.027 -13.870 -3.869 1.00 0.00 N ATOM 1159 CA GLY A 74 1.545 -14.852 -2.934 1.00 0.00 C ATOM 1160 C GLY A 74 0.448 -15.528 -2.136 1.00 0.00 C ATOM 1161 O GLY A 74 -0.718 -15.137 -2.212 1.00 0.00 O ATOM 0 H GLY A 74 0.045 -13.628 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.110 -15.607 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.241 -14.366 -2.250 1.00 0.00 H new ATOM 1165 N THR A 75 0.819 -16.548 -1.369 1.00 0.00 N ATOM 1166 CA THR A 75 -0.142 -17.283 -0.556 1.00 0.00 C ATOM 1167 C THR A 75 0.325 -17.384 0.891 1.00 0.00 C ATOM 1168 O THR A 75 1.483 -17.708 1.159 1.00 0.00 O ATOM 1169 CB THR A 75 -0.377 -18.702 -1.108 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.878 -19.350 -1.341 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.177 -18.653 -2.402 1.00 0.00 C ATOM 0 H THR A 75 1.779 -16.884 -1.294 1.00 0.00 H new ATOM 0 HA THR A 75 -1.079 -16.727 -0.595 1.00 0.00 H new ATOM 0 HB THR A 75 -0.945 -19.267 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.511 -19.101 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.331 -19.666 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.143 -18.185 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.631 -18.073 -3.146 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.581 -17.107 1.822 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.262 -17.168 3.244 1.00 0.00 C ATOM 1181 C LEU A 76 -1.116 -18.216 3.949 1.00 0.00 C ATOM 1182 O LEU A 76 -2.334 -18.255 3.781 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.474 -15.799 3.893 1.00 0.00 C ATOM 1184 CG LEU A 76 0.208 -15.585 5.245 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.720 -15.614 5.091 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.242 -14.270 5.867 1.00 0.00 C ATOM 0 H LEU A 76 -1.543 -16.838 1.617 1.00 0.00 H new ATOM 0 HA LEU A 76 0.785 -17.453 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.118 -15.033 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.545 -15.641 4.020 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.084 -16.398 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.188 -15.460 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.026 -16.580 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.032 -14.823 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.253 -14.134 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.020 -13.445 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.322 -14.288 6.014 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.468 -19.064 4.742 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.168 -20.112 5.475 1.00 0.00 C ATOM 1200 C ASN A 77 -2.054 -19.515 6.565 1.00 0.00 C ATOM 1201 O ASN A 77 -1.862 -18.372 6.979 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.165 -21.087 6.096 1.00 0.00 C ATOM 1203 CG ASN A 77 0.903 -21.523 5.110 1.00 0.00 C ATOM 1204 OD1 ASN A 77 1.433 -20.710 4.353 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.222 -22.812 5.116 1.00 0.00 N ATOM 0 H ASN A 77 0.541 -19.045 4.893 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.801 -20.652 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.309 -20.617 6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.696 -21.965 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.933 -23.164 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.756 -23.450 5.762 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.025 -20.298 7.025 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.939 -19.848 8.068 1.00 0.00 C ATOM 1214 C VAL A 78 -3.274 -19.891 9.439 1.00 0.00 C ATOM 1215 O VAL A 78 -3.948 -19.872 10.468 1.00 0.00 O ATOM 1216 CB VAL A 78 -5.217 -20.707 8.102 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.955 -20.620 6.775 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.879 -22.152 8.439 1.00 0.00 C ATOM 0 H VAL A 78 -3.199 -21.246 6.692 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.208 -18.819 7.831 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.873 -20.320 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.855 -21.233 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.231 -19.584 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.309 -20.980 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.794 -22.745 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.203 -22.553 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.398 -22.195 9.416 1.00 0.00 H new ATOM 1228 N GLY A 79 -1.946 -19.949 9.445 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.211 -19.993 10.695 1.00 0.00 C ATOM 1230 C GLY A 79 0.222 -19.523 10.542 1.00 0.00 C ATOM 1231 O GLY A 79 1.078 -19.844 11.366 1.00 0.00 O ATOM 0 H GLY A 79 -1.366 -19.966 8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.717 -19.371 11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.217 -21.013 11.080 1.00 0.00 H new ATOM 1235 N GLU A 80 0.484 -18.760 9.485 1.00 0.00 N ATOM 1236 CA GLU A 80 1.824 -18.248 9.227 1.00 0.00 C ATOM 1237 C GLU A 80 1.765 -16.834 8.655 1.00 0.00 C ATOM 1238 O GLU A 80 0.789 -16.455 8.006 1.00 0.00 O ATOM 1239 CB GLU A 80 2.569 -19.169 8.260 1.00 0.00 C ATOM 1240 CG GLU A 80 2.743 -20.586 8.781 1.00 0.00 C ATOM 1241 CD GLU A 80 3.806 -20.686 9.857 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.699 -19.813 9.893 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.744 -21.636 10.665 1.00 0.00 O ATOM 0 H GLU A 80 -0.214 -18.483 8.794 1.00 0.00 H new ATOM 0 HA GLU A 80 2.362 -18.217 10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.028 -19.203 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.551 -18.745 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.793 -20.941 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.007 -21.244 7.953 1.00 0.00 H new ATOM 1250 N SER A 81 2.815 -16.058 8.902 1.00 0.00 N ATOM 1251 CA SER A 81 2.881 -14.684 8.416 1.00 0.00 C ATOM 1252 C SER A 81 3.982 -14.530 7.371 1.00 0.00 C ATOM 1253 O SER A 81 4.863 -15.381 7.252 1.00 0.00 O ATOM 1254 CB SER A 81 3.128 -13.721 9.579 1.00 0.00 C ATOM 1255 OG SER A 81 2.354 -14.079 10.711 1.00 0.00 O ATOM 0 H SER A 81 3.632 -16.357 9.435 1.00 0.00 H new ATOM 0 HA SER A 81 1.925 -14.443 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.186 -13.727 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.881 -12.705 9.272 1.00 0.00 H new ATOM 0 HG SER A 81 2.531 -13.449 11.441 1.00 0.00 H new ATOM 1261 N MET A 82 3.924 -13.438 6.616 1.00 0.00 N ATOM 1262 CA MET A 82 4.916 -13.171 5.581 1.00 0.00 C ATOM 1263 C MET A 82 5.207 -11.677 5.480 1.00 0.00 C ATOM 1264 O MET A 82 4.543 -10.862 6.120 1.00 0.00 O ATOM 1265 CB MET A 82 4.431 -13.701 4.231 1.00 0.00 C ATOM 1266 CG MET A 82 3.448 -12.775 3.532 1.00 0.00 C ATOM 1267 SD MET A 82 4.247 -11.692 2.332 1.00 0.00 S ATOM 1268 CE MET A 82 4.200 -12.719 0.866 1.00 0.00 C ATOM 0 H MET A 82 3.201 -12.724 6.701 1.00 0.00 H new ATOM 0 HA MET A 82 5.838 -13.685 5.854 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.292 -13.860 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.960 -14.673 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.688 -13.372 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.934 -12.168 4.277 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.659 -12.186 0.033 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.747 -13.643 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.165 -12.954 0.619 1.00 0.00 H new ATOM 1278 N GLN A 83 6.202 -11.326 4.672 1.00 0.00 N ATOM 1279 CA GLN A 83 6.581 -9.930 4.489 1.00 0.00 C ATOM 1280 C GLN A 83 6.367 -9.494 3.043 1.00 0.00 C ATOM 1281 O GLN A 83 6.626 -10.254 2.109 1.00 0.00 O ATOM 1282 CB GLN A 83 8.042 -9.719 4.887 1.00 0.00 C ATOM 1283 CG GLN A 83 8.245 -9.535 6.383 1.00 0.00 C ATOM 1284 CD GLN A 83 9.690 -9.716 6.803 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.049 -10.723 7.414 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.529 -8.740 6.476 1.00 0.00 N ATOM 0 H GLN A 83 6.760 -11.989 4.134 1.00 0.00 H new ATOM 0 HA GLN A 83 5.946 -9.320 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.628 -10.575 4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.429 -8.843 4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.909 -8.539 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.622 -10.250 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.188 -7.923 5.969 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.514 -8.807 6.732 1.00 0.00 H new ATOM 1295 N LEU A 84 5.894 -8.265 2.865 1.00 0.00 N ATOM 1296 CA LEU A 84 5.645 -7.727 1.532 1.00 0.00 C ATOM 1297 C LEU A 84 6.478 -6.473 1.287 1.00 0.00 C ATOM 1298 O LEU A 84 6.332 -5.473 1.988 1.00 0.00 O ATOM 1299 CB LEU A 84 4.159 -7.408 1.358 1.00 0.00 C ATOM 1300 CG LEU A 84 3.214 -8.610 1.329 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.766 -8.152 1.420 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.437 -9.433 0.068 1.00 0.00 C ATOM 0 H LEU A 84 5.675 -7.623 3.627 1.00 0.00 H new ATOM 0 HA LEU A 84 5.936 -8.483 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.852 -6.749 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.034 -6.850 0.430 1.00 0.00 H new ATOM 0 HG LEU A 84 3.430 -9.239 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.108 -9.020 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.615 -7.606 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.537 -7.501 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.756 -10.284 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.249 -8.814 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.466 -9.791 0.045 1.00 0.00 H new ATOM 1314 N GLU A 85 7.351 -6.534 0.285 1.00 0.00 N ATOM 1315 CA GLU A 85 8.206 -5.402 -0.052 1.00 0.00 C ATOM 1316 C GLU A 85 7.534 -4.503 -1.086 1.00 0.00 C ATOM 1317 O GLU A 85 7.076 -4.971 -2.129 1.00 0.00 O ATOM 1318 CB GLU A 85 9.553 -5.894 -0.585 1.00 0.00 C ATOM 1319 CG GLU A 85 10.579 -6.156 0.504 1.00 0.00 C ATOM 1320 CD GLU A 85 11.729 -7.022 0.026 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.648 -6.483 -0.625 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.708 -8.240 0.303 1.00 0.00 O ATOM 0 H GLU A 85 7.484 -7.354 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 85 8.373 -4.821 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.396 -6.811 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.952 -5.154 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.971 -5.205 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.091 -6.641 1.349 1.00 0.00 H new ATOM 1329 N VAL A 86 7.480 -3.209 -0.790 1.00 0.00 N ATOM 1330 CA VAL A 86 6.865 -2.243 -1.693 1.00 0.00 C ATOM 1331 C VAL A 86 7.881 -1.208 -2.165 1.00 0.00 C ATOM 1332 O VAL A 86 8.432 -0.455 -1.363 1.00 0.00 O ATOM 1333 CB VAL A 86 5.685 -1.517 -1.020 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.201 -0.366 -1.888 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.553 -2.493 -0.735 1.00 0.00 C ATOM 0 H VAL A 86 7.855 -2.805 0.068 1.00 0.00 H new ATOM 0 HA VAL A 86 6.495 -2.804 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 86 6.028 -1.105 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.367 0.135 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.014 0.344 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.874 -0.751 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.727 -1.964 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.210 -2.935 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.910 -3.280 -0.071 1.00 0.00 H new ATOM 1345 N GLU A 87 8.124 -1.178 -3.472 1.00 0.00 N ATOM 1346 CA GLU A 87 9.074 -0.236 -4.050 1.00 0.00 C ATOM 1347 C GLU A 87 8.349 0.870 -4.812 1.00 0.00 C ATOM 1348 O GLU A 87 7.583 0.602 -5.737 1.00 0.00 O ATOM 1349 CB GLU A 87 10.043 -0.963 -4.984 1.00 0.00 C ATOM 1350 CG GLU A 87 11.321 -0.189 -5.258 1.00 0.00 C ATOM 1351 CD GLU A 87 12.260 -0.925 -6.194 1.00 0.00 C ATOM 1352 OE1 GLU A 87 12.245 -2.174 -6.187 1.00 0.00 O ATOM 1353 OE2 GLU A 87 13.010 -0.253 -6.932 1.00 0.00 O ATOM 0 H GLU A 87 7.676 -1.795 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 87 9.638 0.218 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.299 -1.928 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.540 -1.164 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.069 0.780 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.833 0.006 -4.315 1.00 0.00 H new ATOM 1360 N PHE A 88 8.596 2.114 -4.415 1.00 0.00 N ATOM 1361 CA PHE A 88 7.966 3.261 -5.058 1.00 0.00 C ATOM 1362 C PHE A 88 8.940 4.430 -5.161 1.00 0.00 C ATOM 1363 O PHE A 88 9.251 5.081 -4.164 1.00 0.00 O ATOM 1364 CB PHE A 88 6.719 3.688 -4.281 1.00 0.00 C ATOM 1365 CG PHE A 88 6.375 5.140 -4.449 1.00 0.00 C ATOM 1366 CD1 PHE A 88 6.023 5.643 -5.692 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.405 6.003 -3.366 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.706 6.979 -5.850 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.089 7.339 -3.518 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.740 7.828 -4.762 1.00 0.00 C ATOM 0 H PHE A 88 9.228 2.353 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 88 7.674 2.965 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.873 3.083 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.872 3.479 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.996 4.983 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.679 5.627 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.432 7.358 -6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.115 8.001 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.494 8.873 -4.883 1.00 0.00 H new ATOM 1380 N GLU A 89 9.419 4.690 -6.373 1.00 0.00 N ATOM 1381 CA GLU A 89 10.360 5.780 -6.605 1.00 0.00 C ATOM 1382 C GLU A 89 9.714 6.889 -7.431 1.00 0.00 C ATOM 1383 O GLU A 89 9.572 6.787 -8.650 1.00 0.00 O ATOM 1384 CB GLU A 89 11.610 5.260 -7.318 1.00 0.00 C ATOM 1385 CG GLU A 89 12.591 6.356 -7.701 1.00 0.00 C ATOM 1386 CD GLU A 89 13.716 5.849 -8.583 1.00 0.00 C ATOM 1387 OE1 GLU A 89 14.723 5.355 -8.034 1.00 0.00 O ATOM 1388 OE2 GLU A 89 13.590 5.947 -9.822 1.00 0.00 O ATOM 0 H GLU A 89 9.171 4.161 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 89 10.647 6.191 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.115 4.542 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.308 4.723 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.057 7.151 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.013 6.794 -6.796 1.00 0.00 H new ATOM 1395 N PRO A 90 9.313 7.974 -6.752 1.00 0.00 N ATOM 1396 CA PRO A 90 8.676 9.123 -7.402 1.00 0.00 C ATOM 1397 C PRO A 90 9.649 9.908 -8.275 1.00 0.00 C ATOM 1398 O PRO A 90 10.831 10.023 -7.953 1.00 0.00 O ATOM 1399 CB PRO A 90 8.204 9.980 -6.224 1.00 0.00 C ATOM 1400 CG PRO A 90 9.113 9.615 -5.102 1.00 0.00 C ATOM 1401 CD PRO A 90 9.451 8.163 -5.299 1.00 0.00 C ATOM 0 HA PRO A 90 7.874 8.818 -8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.269 11.043 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.164 9.771 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.013 10.230 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.628 9.776 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.461 7.936 -4.959 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.774 7.514 -4.743 1.00 0.00 H new ATOM 1409 N GLN A 91 9.143 10.447 -9.380 1.00 0.00 N ATOM 1410 CA GLN A 91 9.969 11.221 -10.300 1.00 0.00 C ATOM 1411 C GLN A 91 9.880 12.711 -9.988 1.00 0.00 C ATOM 1412 O GLN A 91 10.878 13.429 -10.052 1.00 0.00 O ATOM 1413 CB GLN A 91 9.539 10.964 -11.745 1.00 0.00 C ATOM 1414 CG GLN A 91 10.450 11.612 -12.775 1.00 0.00 C ATOM 1415 CD GLN A 91 11.893 11.681 -12.316 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.522 12.739 -12.367 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.426 10.552 -11.865 1.00 0.00 N ATOM 0 H GLN A 91 8.166 10.362 -9.660 1.00 0.00 H new ATOM 0 HA GLN A 91 11.004 10.903 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.512 9.889 -11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.524 11.336 -11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.396 11.050 -13.707 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.092 12.619 -12.989 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.868 9.699 -11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.394 10.538 -11.543 1.00 0.00 H new ATOM 1426 N SER A 92 8.679 13.169 -9.650 1.00 0.00 N ATOM 1427 CA SER A 92 8.460 14.575 -9.332 1.00 0.00 C ATOM 1428 C SER A 92 8.250 14.767 -7.833 1.00 0.00 C ATOM 1429 O SER A 92 7.837 13.845 -7.129 1.00 0.00 O ATOM 1430 CB SER A 92 7.250 15.111 -10.100 1.00 0.00 C ATOM 1431 OG SER A 92 6.578 16.114 -9.358 1.00 0.00 O ATOM 0 H SER A 92 7.843 12.587 -9.589 1.00 0.00 H new ATOM 0 HA SER A 92 9.348 15.132 -9.631 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.575 15.519 -11.057 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.563 14.294 -10.318 1.00 0.00 H new ATOM 0 HG SER A 92 5.810 16.441 -9.871 1.00 0.00 H new ATOM 1437 N VAL A 93 8.537 15.972 -7.351 1.00 0.00 N ATOM 1438 CA VAL A 93 8.379 16.287 -5.936 1.00 0.00 C ATOM 1439 C VAL A 93 6.908 16.453 -5.571 1.00 0.00 C ATOM 1440 O VAL A 93 6.073 16.740 -6.428 1.00 0.00 O ATOM 1441 CB VAL A 93 9.138 17.573 -5.559 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.271 17.691 -4.048 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.505 17.598 -6.226 1.00 0.00 C ATOM 0 H VAL A 93 8.880 16.746 -7.920 1.00 0.00 H new ATOM 0 HA VAL A 93 8.797 15.450 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 93 8.568 18.430 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.810 18.606 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.279 17.721 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.819 16.831 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.028 18.513 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.085 16.735 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.382 17.563 -7.309 1.00 0.00 H new ATOM 1453 N GLY A 94 6.597 16.271 -4.291 1.00 0.00 N ATOM 1454 CA GLY A 94 5.226 16.406 -3.834 1.00 0.00 C ATOM 1455 C GLY A 94 4.666 15.106 -3.290 1.00 0.00 C ATOM 1456 O GLY A 94 5.263 14.044 -3.466 1.00 0.00 O ATOM 0 H GLY A 94 7.270 16.033 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.178 17.171 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.603 16.749 -4.660 1.00 0.00 H new ATOM 1460 N ASP A 95 3.518 15.190 -2.628 1.00 0.00 N ATOM 1461 CA ASP A 95 2.877 14.011 -2.056 1.00 0.00 C ATOM 1462 C ASP A 95 2.215 13.171 -3.143 1.00 0.00 C ATOM 1463 O ASP A 95 1.575 13.704 -4.050 1.00 0.00 O ATOM 1464 CB ASP A 95 1.840 14.425 -1.011 1.00 0.00 C ATOM 1465 CG ASP A 95 0.669 13.465 -0.946 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.906 12.239 -0.940 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.486 13.939 -0.903 1.00 0.00 O ATOM 0 H ASP A 95 3.012 16.062 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 95 3.646 13.407 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.316 14.479 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.474 15.425 -1.243 1.00 0.00 H new ATOM 1472 N HIS A 96 2.374 11.855 -3.047 1.00 0.00 N ATOM 1473 CA HIS A 96 1.792 10.941 -4.023 1.00 0.00 C ATOM 1474 C HIS A 96 0.940 9.880 -3.333 1.00 0.00 C ATOM 1475 O HIS A 96 1.453 9.047 -2.586 1.00 0.00 O ATOM 1476 CB HIS A 96 2.892 10.272 -4.847 1.00 0.00 C ATOM 1477 CG HIS A 96 3.564 11.198 -5.814 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.186 11.310 -7.135 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.593 12.060 -5.644 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.955 12.200 -7.737 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.817 12.670 -6.854 1.00 0.00 N ATOM 0 H HIS A 96 2.901 11.398 -2.303 1.00 0.00 H new ATOM 0 HA HIS A 96 1.152 11.520 -4.689 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.641 9.860 -4.171 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.464 9.434 -5.397 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.137 12.236 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.890 12.493 -8.774 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.533 13.372 -7.040 1.00 0.00 H new ATOM 1490 N SER A 97 -0.364 9.917 -3.588 1.00 0.00 N ATOM 1491 CA SER A 97 -1.288 8.961 -2.988 1.00 0.00 C ATOM 1492 C SER A 97 -1.915 8.068 -4.054 1.00 0.00 C ATOM 1493 O SER A 97 -2.374 8.548 -5.090 1.00 0.00 O ATOM 1494 CB SER A 97 -2.383 9.696 -2.213 1.00 0.00 C ATOM 1495 OG SER A 97 -3.068 10.615 -3.047 1.00 0.00 O ATOM 0 H SER A 97 -0.805 10.599 -4.206 1.00 0.00 H new ATOM 0 HA SER A 97 -0.724 8.332 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.090 8.975 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.942 10.225 -1.368 1.00 0.00 H new ATOM 0 HG SER A 97 -3.121 10.255 -3.957 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.929 6.764 -3.792 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.501 5.824 -4.738 1.00 0.00 C ATOM 1503 C GLY A 98 -3.464 4.854 -4.081 1.00 0.00 C ATOM 1504 O GLY A 98 -4.079 5.173 -3.064 1.00 0.00 O ATOM 0 H GLY A 98 -1.555 6.343 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.022 6.374 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.699 5.265 -5.220 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.596 3.668 -4.665 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.493 2.650 -4.131 1.00 0.00 C ATOM 1510 C ARG A 99 -4.080 1.259 -4.605 1.00 0.00 C ATOM 1511 O ARG A 99 -3.917 1.022 -5.803 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.935 2.937 -4.555 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.949 1.980 -3.950 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.350 2.573 -3.963 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.566 3.490 -2.848 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.128 4.687 -2.979 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -9.528 5.108 -4.171 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.291 5.465 -1.916 1.00 0.00 N ATOM 0 H ARG A 99 -3.094 3.388 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.428 2.679 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.193 3.956 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.002 2.885 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.944 1.043 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.662 1.744 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.512 3.101 -4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.084 1.769 -3.919 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.269 3.196 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.405 4.513 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.959 6.027 -4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.985 5.144 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.722 6.384 -2.018 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.911 0.343 -3.658 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.517 -1.024 -3.977 1.00 0.00 C ATOM 1534 C LEU A 100 -4.730 -1.949 -4.004 1.00 0.00 C ATOM 1535 O LEU A 100 -5.334 -2.226 -2.968 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.496 -1.533 -2.958 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.172 -0.771 -2.896 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.443 -1.072 -1.596 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.299 -1.120 -4.093 1.00 0.00 C ATOM 0 H LEU A 100 -4.041 0.523 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.063 -1.022 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.955 -1.506 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.281 -2.578 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.388 0.297 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.497 -0.521 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.064 -0.771 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.239 -2.141 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.639 -0.568 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.092 -2.190 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.819 -0.852 -5.013 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.078 -2.424 -5.195 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.217 -3.320 -5.356 1.00 0.00 C ATOM 1553 C ILE A 101 -5.778 -4.780 -5.309 1.00 0.00 C ATOM 1554 O ILE A 101 -5.205 -5.298 -6.267 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.955 -3.060 -6.683 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.463 -1.618 -6.735 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.107 -4.040 -6.849 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.919 -1.187 -8.111 1.00 0.00 C ATOM 0 H ILE A 101 -4.588 -2.204 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.896 -3.120 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.256 -3.209 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.292 -1.508 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.670 -0.950 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.619 -3.844 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.720 -5.059 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.808 -3.920 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.266 -0.154 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.087 -1.264 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.733 -1.831 -8.443 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.054 -5.438 -4.187 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.691 -6.840 -4.016 1.00 0.00 C ATOM 1572 C VAL A 102 -6.778 -7.760 -4.559 1.00 0.00 C ATOM 1573 O VAL A 102 -7.873 -7.842 -4.000 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.441 -7.177 -2.534 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.025 -8.632 -2.380 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.389 -6.249 -1.946 1.00 0.00 C ATOM 0 H VAL A 102 -6.527 -5.023 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.771 -7.000 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.371 -7.029 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.853 -8.852 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.815 -9.279 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.108 -8.810 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.225 -6.502 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.455 -6.362 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.731 -5.217 -2.021 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.470 -8.451 -5.651 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.421 -9.366 -6.271 1.00 0.00 C ATOM 1588 C CYS A 103 -7.218 -10.789 -5.761 1.00 0.00 C ATOM 1589 O CYS A 103 -6.196 -11.418 -6.037 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.277 -9.331 -7.793 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.733 -9.924 -8.686 1.00 0.00 S ATOM 0 H CYS A 103 -5.569 -8.395 -6.125 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.427 -9.043 -6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.065 -8.308 -8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.417 -9.936 -8.080 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.516 -9.854 -9.966 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.196 -11.291 -5.016 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.123 -12.638 -4.464 1.00 0.00 C ATOM 1599 C TYR A 104 -8.500 -13.678 -5.514 1.00 0.00 C ATOM 1600 O TYR A 104 -8.895 -13.336 -6.629 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.044 -12.766 -3.250 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.491 -12.119 -2.000 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.277 -10.747 -1.940 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.185 -12.879 -0.878 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.771 -10.153 -0.800 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.680 -12.293 0.266 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.475 -10.929 0.300 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.972 -10.340 1.438 1.00 0.00 O ATOM 0 H TYR A 104 -9.050 -10.785 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.095 -12.819 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.008 -12.315 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.226 -13.822 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.510 -10.135 -2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.345 -13.947 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.608 -9.086 -0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.447 -12.899 1.129 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.489 -10.637 2.216 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.377 -14.950 -5.150 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.706 -16.041 -6.059 1.00 0.00 C ATOM 1620 C ASP A 105 -10.134 -16.528 -5.828 1.00 0.00 C ATOM 1621 O ASP A 105 -10.835 -16.899 -6.770 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.724 -17.199 -5.877 1.00 0.00 C ATOM 1623 CG ASP A 105 -6.495 -17.059 -6.754 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -6.146 -15.913 -7.108 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -5.882 -18.095 -7.086 1.00 0.00 O ATOM 0 H ASP A 105 -8.052 -15.251 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.629 -15.667 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.417 -17.251 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.227 -18.138 -6.108 1.00 0.00 H new ATOM 1630 N THR A 106 -10.558 -16.525 -4.568 1.00 0.00 N ATOM 1631 CA THR A 106 -11.900 -16.969 -4.213 1.00 0.00 C ATOM 1632 C THR A 106 -12.945 -15.930 -4.607 1.00 0.00 C ATOM 1633 O THR A 106 -14.083 -16.271 -4.927 1.00 0.00 O ATOM 1634 CB THR A 106 -12.018 -17.251 -2.703 1.00 0.00 C ATOM 1635 OG1 THR A 106 -13.360 -17.629 -2.378 1.00 0.00 O ATOM 1636 CG2 THR A 106 -11.620 -16.027 -1.892 1.00 0.00 C ATOM 0 H THR A 106 -9.991 -16.220 -3.777 1.00 0.00 H new ATOM 0 HA THR A 106 -12.083 -17.892 -4.763 1.00 0.00 H new ATOM 0 HB THR A 106 -11.341 -18.068 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.426 -17.808 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.711 -16.250 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 106 -10.588 -15.760 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.275 -15.194 -2.146 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.549 -14.661 -4.583 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.463 -13.592 -4.940 1.00 0.00 C ATOM 1646 C GLY A 107 -13.495 -12.486 -3.905 1.00 0.00 C ATOM 1647 O GLY A 107 -14.485 -12.324 -3.191 1.00 0.00 O ATOM 0 H GLY A 107 -11.612 -14.354 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.171 -13.175 -5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.466 -14.001 -5.061 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.409 -11.724 -3.822 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.317 -10.629 -2.863 1.00 0.00 C ATOM 1653 C GLU A 108 -11.422 -9.513 -3.396 1.00 0.00 C ATOM 1654 O GLU A 108 -10.445 -9.769 -4.101 1.00 0.00 O ATOM 1655 CB GLU A 108 -11.776 -11.137 -1.525 1.00 0.00 C ATOM 1656 CG GLU A 108 -12.786 -11.944 -0.727 1.00 0.00 C ATOM 1657 CD GLU A 108 -12.151 -12.699 0.424 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -10.960 -13.057 0.312 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -12.845 -12.933 1.435 1.00 0.00 O ATOM 0 H GLU A 108 -11.582 -11.844 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.319 -10.227 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.896 -11.753 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.450 -10.285 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.554 -11.275 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.285 -12.651 -1.389 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.762 -8.275 -3.054 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.991 -7.120 -3.496 1.00 0.00 C ATOM 1668 C LYS A 109 -10.763 -6.145 -2.345 1.00 0.00 C ATOM 1669 O LYS A 109 -11.707 -5.737 -1.668 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.710 -6.410 -4.645 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.779 -5.621 -5.550 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.539 -4.593 -6.372 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.993 -5.171 -7.704 1.00 0.00 C ATOM 1674 NZ LYS A 109 -10.842 -5.624 -8.533 1.00 0.00 N ATOM 0 H LYS A 109 -12.567 -8.046 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.022 -7.474 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.242 -7.150 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.460 -5.735 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.023 -5.119 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.253 -6.304 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.406 -4.245 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.904 -3.725 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.665 -6.011 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.561 -4.419 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.833 -5.099 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.954 -5.448 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.934 -6.642 -8.728 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.505 -5.774 -2.129 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.155 -4.845 -1.062 1.00 0.00 C ATOM 1690 C VAL A 110 -8.437 -3.618 -1.614 1.00 0.00 C ATOM 1691 O VAL A 110 -7.690 -3.709 -2.589 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.259 -5.517 -0.004 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.890 -4.527 1.090 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.952 -6.738 0.582 1.00 0.00 C ATOM 0 H VAL A 110 -8.711 -6.103 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.089 -4.536 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.339 -5.846 -0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.257 -5.020 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.351 -3.686 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.797 -4.165 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.305 -7.201 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.888 -6.435 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.160 -7.455 -0.213 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.667 -2.471 -0.984 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.042 -1.225 -1.413 1.00 0.00 C ATOM 1706 C PHE A 111 -7.207 -0.620 -0.288 1.00 0.00 C ATOM 1707 O PHE A 111 -7.701 -0.401 0.818 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.108 -0.225 -1.866 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.041 -0.774 -2.908 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.197 -1.444 -2.538 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.762 -0.622 -4.256 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -12.057 -1.950 -3.494 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.619 -1.126 -5.216 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.768 -1.792 -4.835 1.00 0.00 C ATOM 0 H PHE A 111 -9.281 -2.378 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.383 -1.448 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.689 0.092 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.616 0.664 -2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.428 -1.572 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.865 -0.104 -4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.955 -2.469 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.391 -0.999 -6.264 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.438 -2.188 -5.584 1.00 0.00 H new ATOM 1724 N VAL A 112 -5.938 -0.353 -0.579 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.033 0.227 0.406 1.00 0.00 C ATOM 1726 C VAL A 112 -4.354 1.477 -0.141 1.00 0.00 C ATOM 1727 O VAL A 112 -3.440 1.391 -0.961 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.954 -0.783 0.839 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.004 -0.150 1.845 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.597 -2.035 1.416 1.00 0.00 C ATOM 0 H VAL A 112 -5.513 -0.529 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.637 0.496 1.272 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.377 -1.071 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.248 -0.878 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.518 0.714 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.564 0.168 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.820 -2.738 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.200 -1.768 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.233 -2.498 0.661 1.00 0.00 H new ATOM 1740 N SER A 113 -4.806 2.639 0.320 1.00 0.00 N ATOM 1741 CA SER A 113 -4.244 3.909 -0.125 1.00 0.00 C ATOM 1742 C SER A 113 -2.728 3.921 0.045 1.00 0.00 C ATOM 1743 O SER A 113 -2.188 3.295 0.958 1.00 0.00 O ATOM 1744 CB SER A 113 -4.865 5.068 0.657 1.00 0.00 C ATOM 1745 OG SER A 113 -6.275 5.083 0.511 1.00 0.00 O ATOM 0 H SER A 113 -5.560 2.727 1.001 1.00 0.00 H new ATOM 0 HA SER A 113 -4.475 4.029 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.606 4.979 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.450 6.012 0.305 1.00 0.00 H new ATOM 0 HG SER A 113 -6.649 5.832 1.021 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.045 4.638 -0.841 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.591 4.734 -0.791 1.00 0.00 C ATOM 1753 C LEU A 114 -0.150 6.149 -0.433 1.00 0.00 C ATOM 1754 O LEU A 114 -0.931 7.096 -0.527 1.00 0.00 O ATOM 1755 CB LEU A 114 0.014 4.323 -2.134 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.110 2.845 -2.503 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.344 2.611 -3.935 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.695 1.985 -1.539 1.00 0.00 C ATOM 0 H LEU A 114 -2.476 5.162 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.234 4.056 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.459 4.913 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.071 4.588 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.159 2.559 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.248 1.553 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.276 3.197 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.385 2.915 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.595 0.936 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.745 2.274 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.322 2.129 -0.525 1.00 0.00 H new ATOM 1770 N TYR A 115 1.107 6.286 -0.024 1.00 0.00 N ATOM 1771 CA TYR A 115 1.652 7.586 0.349 1.00 0.00 C ATOM 1772 C TYR A 115 3.160 7.629 0.122 1.00 0.00 C ATOM 1773 O TYR A 115 3.791 6.604 -0.131 1.00 0.00 O ATOM 1774 CB TYR A 115 1.335 7.895 1.813 1.00 0.00 C ATOM 1775 CG TYR A 115 0.186 8.860 1.993 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.360 10.224 1.796 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.076 8.407 2.361 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.688 11.109 1.960 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.129 9.285 2.526 1.00 0.00 C ATOM 1780 CZ TYR A 115 -1.930 10.635 2.325 1.00 0.00 C ATOM 1781 OH TYR A 115 -2.977 11.514 2.489 1.00 0.00 O ATOM 0 H TYR A 115 1.767 5.513 0.058 1.00 0.00 H new ATOM 0 HA TYR A 115 1.186 8.342 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.101 6.964 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.224 8.309 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.331 10.599 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.235 7.351 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.535 12.167 1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.103 8.917 2.811 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.783 11.019 2.746 1.00 0.00 H new ATOM 1791 N GLY A 116 3.732 8.826 0.217 1.00 0.00 N ATOM 1792 CA GLY A 116 5.162 8.983 0.021 1.00 0.00 C ATOM 1793 C GLY A 116 5.557 10.423 -0.238 1.00 0.00 C ATOM 1794 O GLY A 116 6.012 10.762 -1.330 1.00 0.00 O ATOM 0 H GLY A 116 3.231 9.689 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.689 8.618 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.480 8.365 -0.819 1.00 0.00 H new ATOM 1798 N ALA A 117 5.382 11.273 0.769 1.00 0.00 N ATOM 1799 CA ALA A 117 5.724 12.684 0.645 1.00 0.00 C ATOM 1800 C ALA A 117 7.152 12.861 0.141 1.00 0.00 C ATOM 1801 O ALA A 117 8.111 12.713 0.898 1.00 0.00 O ATOM 1802 CB ALA A 117 5.543 13.391 1.980 1.00 0.00 C ATOM 0 H ALA A 117 5.005 11.009 1.679 1.00 0.00 H new ATOM 0 HA ALA A 117 5.050 13.132 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.802 14.444 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.505 13.304 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.192 12.932 2.726 1.00 0.00 H new ATOM 1808 N ALA A 118 7.287 13.177 -1.143 1.00 0.00 N ATOM 1809 CA ALA A 118 8.599 13.375 -1.748 1.00 0.00 C ATOM 1810 C ALA A 118 8.986 14.850 -1.749 1.00 0.00 C ATOM 1811 O ALA A 118 8.178 15.712 -2.096 1.00 0.00 O ATOM 1812 CB ALA A 118 8.615 12.821 -3.165 1.00 0.00 C ATOM 0 H ALA A 118 6.504 13.301 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 118 9.333 12.835 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.600 12.975 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.391 11.754 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.865 13.336 -3.765 1.00 0.00 H new ATOM 1818 N ILE A 119 10.224 15.132 -1.359 1.00 0.00 N ATOM 1819 CA ILE A 119 10.717 16.503 -1.317 1.00 0.00 C ATOM 1820 C ILE A 119 11.662 16.784 -2.480 1.00 0.00 C ATOM 1821 O ILE A 119 12.028 15.877 -3.228 1.00 0.00 O ATOM 1822 CB ILE A 119 11.448 16.798 0.007 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.565 15.778 0.236 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.465 16.784 1.169 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.731 16.327 1.028 1.00 0.00 C ATOM 0 H ILE A 119 10.904 14.430 -1.068 1.00 0.00 H new ATOM 0 HA ILE A 119 9.846 17.154 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 119 11.894 17.790 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.155 14.914 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.926 15.424 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.996 16.994 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.701 17.544 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.993 15.804 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.485 15.550 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.166 17.173 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.383 16.655 2.008 1.00 0.00 H new ATOM 1837 N ASP A 120 12.056 18.044 -2.624 1.00 0.00 N ATOM 1838 CA ASP A 120 12.962 18.445 -3.694 1.00 0.00 C ATOM 1839 C ASP A 120 14.415 18.214 -3.291 1.00 0.00 C ATOM 1840 O ASP A 120 15.333 18.465 -4.071 1.00 0.00 O ATOM 1841 CB ASP A 120 12.746 19.916 -4.050 1.00 0.00 C ATOM 1842 CG ASP A 120 12.156 20.709 -2.901 1.00 0.00 C ATOM 1843 OD1 ASP A 120 12.937 21.249 -2.089 1.00 0.00 O ATOM 1844 OD2 ASP A 120 10.913 20.791 -2.814 1.00 0.00 O ATOM 0 H ASP A 120 11.762 18.806 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 120 12.745 17.832 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.698 20.359 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.084 19.984 -4.913 1.00 0.00 H new ATOM 1849 N MET A 121 14.615 17.735 -2.067 1.00 0.00 N ATOM 1850 CA MET A 121 15.957 17.471 -1.561 1.00 0.00 C ATOM 1851 C MET A 121 16.854 18.692 -1.735 1.00 0.00 C ATOM 1852 O MET A 121 18.056 18.563 -1.966 1.00 0.00 O ATOM 1853 CB MET A 121 16.569 16.267 -2.281 1.00 0.00 C ATOM 1854 CG MET A 121 15.923 14.943 -1.906 1.00 0.00 C ATOM 1855 SD MET A 121 16.430 14.359 -0.277 1.00 0.00 S ATOM 1856 CE MET A 121 18.209 14.303 -0.476 1.00 0.00 C ATOM 0 H MET A 121 13.866 17.522 -1.408 1.00 0.00 H new ATOM 0 HA MET A 121 15.880 17.248 -0.497 1.00 0.00 H new ATOM 0 HB2 MET A 121 16.480 16.414 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 121 17.634 16.220 -2.053 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.839 15.053 -1.927 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.181 14.193 -2.653 1.00 0.00 H new ATOM 0 HE1 MET A 121 18.625 13.542 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 121 18.452 14.059 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 121 18.634 15.274 -0.223 1.00 0.00 H new ATOM 1866 N ASN A 122 16.262 19.877 -1.624 1.00 0.00 N ATOM 1867 CA ASN A 122 17.009 21.121 -1.770 1.00 0.00 C ATOM 1868 C ASN A 122 17.816 21.422 -0.511 1.00 0.00 C ATOM 1869 O ASN A 122 17.573 20.843 0.547 1.00 0.00 O ATOM 1870 CB ASN A 122 16.055 22.280 -2.067 1.00 0.00 C ATOM 1871 CG ASN A 122 16.779 23.503 -2.597 1.00 0.00 C ATOM 1872 OD1 ASN A 122 16.879 23.702 -3.808 1.00 0.00 O ATOM 1873 ND2 ASN A 122 17.288 24.328 -1.690 1.00 0.00 N ATOM 0 H ASN A 122 15.268 20.002 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 122 17.701 21.005 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 122 15.311 21.957 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 122 15.516 22.546 -1.158 1.00 0.00 H new ATOM 0 HD21 ASN A 122 17.786 25.167 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 122 17.181 24.123 -0.697 1.00 0.00 H new TER 1880 ASN A 122