USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 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 13 LYS NZ :NH3+ 161:sc= 2.1 (180deg=-0.0456) USER MOD Set 1.2: A 39 TYR OH : rot 130:sc= 0.735 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -179:sc= -2.18! USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.5) USER MOD Single : A 27 GLN : amide:sc= -0.921 X(o=-0.92,f=-0.91) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0932 (180deg=-0.512) USER MOD Single : A 33 THR OG1 : rot 37:sc= 0.103 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.739 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0998 USER MOD Single : A 49 GLN : amide:sc= -0.773 K(o=-0.77,f=-0.087) USER MOD Single : A 50 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.16) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.15) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 0.208 (180deg=-0.00854) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 74 THR OG1 : rot 67:sc= 1.19 USER MOD Single : A 78 ASN : amide:sc= 1.11 K(o=1.1,f=-0.046) USER MOD Single : A 81 GLN : amide:sc= -0.0778 K(o=-0.078,f=-1.6) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 86 GLN : amide:sc= -0.865 X(o=-0.86,f=-0.73) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.0523 (180deg=-0.351) USER MOD Single : A 89 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.07) USER MOD Single : A 91 SER OG : rot 180:sc= -0.202 USER MOD Single : A 92 MET CE :methyl -160:sc= -0.131 (180deg=-0.748) USER MOD Single : A 96 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 98 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.795) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 41:sc= 0.557 USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 111 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=-0.068) USER MOD Single : A 115 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.0085) USER MOD Single : A 116 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.284 -32.685 -2.224 1.00 4.13 N ATOM 2 CA MET A 1 7.901 -32.774 -1.681 1.00 3.30 C ATOM 3 C MET A 1 6.859 -32.375 -2.737 1.00 21.25 C ATOM 4 O MET A 1 6.888 -31.260 -3.261 1.00 10.32 O ATOM 5 CB MET A 1 7.758 -31.868 -0.448 1.00 73.10 C ATOM 6 CG MET A 1 6.376 -31.909 0.194 1.00 24.41 C ATOM 7 SD MET A 1 6.225 -30.785 1.598 1.00 71.32 S ATOM 8 CE MET A 1 4.557 -31.150 2.149 1.00 14.11 C ATOM 0 H1 MET A 1 9.965 -32.961 -1.487 1.00 4.13 H new ATOM 0 H2 MET A 1 9.379 -33.324 -3.039 1.00 4.13 H new ATOM 0 H3 MET A 1 9.476 -31.708 -2.525 1.00 4.13 H new ATOM 0 HA MET A 1 7.721 -33.811 -1.396 1.00 3.30 H new ATOM 0 HB2 MET A 1 8.501 -32.161 0.294 1.00 73.10 H new ATOM 0 HB3 MET A 1 7.983 -30.841 -0.736 1.00 73.10 H new ATOM 0 HG2 MET A 1 5.625 -31.653 -0.553 1.00 24.41 H new ATOM 0 HG3 MET A 1 6.163 -32.926 0.524 1.00 24.41 H new ATOM 0 HE1 MET A 1 4.316 -30.532 3.014 1.00 14.11 H new ATOM 0 HE2 MET A 1 3.853 -30.938 1.344 1.00 14.11 H new ATOM 0 HE3 MET A 1 4.487 -32.202 2.424 1.00 14.11 H new ATOM 20 N ALA A 2 5.937 -33.288 -3.043 1.00 74.02 N ATOM 21 CA ALA A 2 4.852 -33.006 -3.990 1.00 22.04 C ATOM 22 C ALA A 2 3.707 -32.243 -3.303 1.00 52.13 C ATOM 23 O ALA A 2 2.783 -32.844 -2.755 1.00 40.44 O ATOM 24 CB ALA A 2 4.341 -34.306 -4.611 1.00 52.15 C ATOM 0 H ALA A 2 5.918 -34.229 -2.650 1.00 74.02 H new ATOM 0 HA ALA A 2 5.245 -32.373 -4.785 1.00 22.04 H new ATOM 0 HB1 ALA A 2 3.536 -34.083 -5.312 1.00 52.15 H new ATOM 0 HB2 ALA A 2 5.155 -34.801 -5.140 1.00 52.15 H new ATOM 0 HB3 ALA A 2 3.966 -34.962 -3.825 1.00 52.15 H new ATOM 30 N ALA A 3 3.790 -30.911 -3.316 1.00 24.12 N ATOM 31 CA ALA A 3 2.798 -30.062 -2.639 1.00 21.52 C ATOM 32 C ALA A 3 1.495 -29.926 -3.447 1.00 21.45 C ATOM 33 O ALA A 3 0.428 -29.682 -2.880 1.00 63.44 O ATOM 34 CB ALA A 3 3.399 -28.687 -2.363 1.00 50.43 C ATOM 0 H ALA A 3 4.532 -30.394 -3.787 1.00 24.12 H new ATOM 0 HA ALA A 3 2.538 -30.545 -1.697 1.00 21.52 H new ATOM 0 HB1 ALA A 3 2.661 -28.061 -1.861 1.00 50.43 H new ATOM 0 HB2 ALA A 3 4.277 -28.795 -1.726 1.00 50.43 H new ATOM 0 HB3 ALA A 3 3.690 -28.221 -3.305 1.00 50.43 H new ATOM 40 N SER A 4 1.595 -30.083 -4.770 1.00 1.21 N ATOM 41 CA SER A 4 0.440 -29.969 -5.683 1.00 72.14 C ATOM 42 C SER A 4 -0.138 -28.540 -5.719 1.00 65.32 C ATOM 43 O SER A 4 0.048 -27.813 -6.699 1.00 11.14 O ATOM 44 CB SER A 4 -0.659 -30.978 -5.307 1.00 51.35 C ATOM 45 OG SER A 4 -1.758 -30.912 -6.205 1.00 23.24 O ATOM 0 H SER A 4 2.474 -30.292 -5.243 1.00 1.21 H new ATOM 0 HA SER A 4 0.806 -30.200 -6.683 1.00 72.14 H new ATOM 0 HB2 SER A 4 -0.245 -31.986 -5.311 1.00 51.35 H new ATOM 0 HB3 SER A 4 -1.005 -30.779 -4.293 1.00 51.35 H new ATOM 0 HG SER A 4 -2.437 -31.566 -5.939 1.00 23.24 H new ATOM 51 N THR A 5 -0.820 -28.138 -4.646 1.00 13.11 N ATOM 52 CA THR A 5 -1.460 -26.814 -4.570 1.00 23.00 C ATOM 53 C THR A 5 -0.437 -25.672 -4.685 1.00 0.11 C ATOM 54 O THR A 5 0.432 -25.506 -3.824 1.00 51.22 O ATOM 55 CB THR A 5 -2.266 -26.645 -3.256 1.00 74.44 C ATOM 56 OG1 THR A 5 -3.309 -27.633 -3.193 1.00 2.42 O ATOM 57 CG2 THR A 5 -2.883 -25.252 -3.155 1.00 65.45 C ATOM 0 H THR A 5 -0.947 -28.710 -3.811 1.00 13.11 H new ATOM 0 HA THR A 5 -2.143 -26.758 -5.418 1.00 23.00 H new ATOM 0 HB THR A 5 -1.577 -26.777 -2.422 1.00 74.44 H new ATOM 0 HG1 THR A 5 -3.814 -27.523 -2.360 1.00 2.42 H new ATOM 0 HG21 THR A 5 -3.441 -25.168 -2.222 1.00 65.45 H new ATOM 0 HG22 THR A 5 -2.093 -24.502 -3.174 1.00 65.45 H new ATOM 0 HG23 THR A 5 -3.557 -25.091 -3.996 1.00 65.45 H new ATOM 65 N VAL A 6 -0.555 -24.884 -5.750 1.00 55.22 N ATOM 66 CA VAL A 6 0.369 -23.775 -6.009 1.00 52.20 C ATOM 67 C VAL A 6 -0.019 -22.514 -5.216 1.00 54.52 C ATOM 68 O VAL A 6 -1.181 -22.102 -5.205 1.00 31.40 O ATOM 69 CB VAL A 6 0.428 -23.440 -7.526 1.00 23.31 C ATOM 70 CG1 VAL A 6 -0.951 -23.070 -8.069 1.00 45.45 C ATOM 71 CG2 VAL A 6 1.440 -22.327 -7.800 1.00 0.12 C ATOM 0 H VAL A 6 -1.285 -24.991 -6.454 1.00 55.22 H new ATOM 0 HA VAL A 6 1.355 -24.100 -5.677 1.00 52.20 H new ATOM 0 HB VAL A 6 0.759 -24.337 -8.050 1.00 23.31 H new ATOM 0 HG11 VAL A 6 -0.874 -22.842 -9.132 1.00 45.45 H new ATOM 0 HG12 VAL A 6 -1.635 -23.907 -7.926 1.00 45.45 H new ATOM 0 HG13 VAL A 6 -1.329 -22.197 -7.537 1.00 45.45 H new ATOM 0 HG21 VAL A 6 1.463 -22.111 -8.868 1.00 0.12 H new ATOM 0 HG22 VAL A 6 1.150 -21.429 -7.254 1.00 0.12 H new ATOM 0 HG23 VAL A 6 2.430 -22.647 -7.473 1.00 0.12 H new ATOM 81 N HIS A 7 0.957 -21.907 -4.542 1.00 32.21 N ATOM 82 CA HIS A 7 0.721 -20.662 -3.800 1.00 54.44 C ATOM 83 C HIS A 7 1.020 -19.431 -4.668 1.00 2.12 C ATOM 84 O HIS A 7 1.593 -19.538 -5.753 1.00 71.02 O ATOM 85 CB HIS A 7 1.584 -20.615 -2.531 1.00 41.01 C ATOM 86 CG HIS A 7 1.309 -21.729 -1.569 1.00 61.23 C ATOM 87 ND1 HIS A 7 2.266 -22.639 -1.183 1.00 40.31 N ATOM 88 CD2 HIS A 7 0.185 -22.065 -0.894 1.00 42.40 C ATOM 89 CE1 HIS A 7 1.745 -23.486 -0.321 1.00 64.33 C ATOM 90 NE2 HIS A 7 0.484 -23.162 -0.123 1.00 65.43 N ATOM 0 H HIS A 7 1.915 -22.252 -4.492 1.00 32.21 H new ATOM 0 HA HIS A 7 -0.332 -20.644 -3.520 1.00 54.44 H new ATOM 0 HB2 HIS A 7 2.635 -20.646 -2.817 1.00 41.01 H new ATOM 0 HB3 HIS A 7 1.419 -19.663 -2.026 1.00 41.01 H new ATOM 0 HD2 HIS A 7 -0.770 -21.564 -0.951 1.00 42.40 H new ATOM 0 HE1 HIS A 7 2.265 -24.309 0.146 1.00 64.33 H new ATOM 0 HE2 HIS A 7 -0.163 -23.645 0.500 1.00 65.43 H new ATOM 99 N THR A 8 0.610 -18.260 -4.193 1.00 41.33 N ATOM 100 CA THR A 8 0.919 -16.993 -4.870 1.00 63.10 C ATOM 101 C THR A 8 1.175 -15.881 -3.845 1.00 40.22 C ATOM 102 O THR A 8 0.315 -15.581 -3.015 1.00 72.02 O ATOM 103 CB THR A 8 -0.219 -16.554 -5.831 1.00 20.04 C ATOM 104 OG1 THR A 8 -0.463 -17.582 -6.812 1.00 61.31 O ATOM 105 CG2 THR A 8 0.135 -15.254 -6.550 1.00 53.02 C ATOM 0 H THR A 8 0.061 -18.156 -3.340 1.00 41.33 H new ATOM 0 HA THR A 8 1.819 -17.162 -5.461 1.00 63.10 H new ATOM 0 HB THR A 8 -1.115 -16.391 -5.232 1.00 20.04 H new ATOM 0 HG1 THR A 8 -1.183 -17.297 -7.412 1.00 61.31 H new ATOM 0 HG21 THR A 8 -0.681 -14.972 -7.216 1.00 53.02 H new ATOM 0 HG22 THR A 8 0.294 -14.464 -5.816 1.00 53.02 H new ATOM 0 HG23 THR A 8 1.045 -15.397 -7.132 1.00 53.02 H new ATOM 113 N SER A 9 2.367 -15.292 -3.893 1.00 53.14 N ATOM 114 CA SER A 9 2.749 -14.217 -2.968 1.00 41.32 C ATOM 115 C SER A 9 2.387 -12.836 -3.526 1.00 73.50 C ATOM 116 O SER A 9 2.119 -12.690 -4.719 1.00 31.14 O ATOM 117 CB SER A 9 4.251 -14.290 -2.662 1.00 51.23 C ATOM 118 OG SER A 9 5.008 -14.566 -3.828 1.00 23.13 O ATOM 0 H SER A 9 3.093 -15.540 -4.566 1.00 53.14 H new ATOM 0 HA SER A 9 2.188 -14.358 -2.044 1.00 41.32 H new ATOM 0 HB2 SER A 9 4.581 -13.346 -2.228 1.00 51.23 H new ATOM 0 HB3 SER A 9 4.434 -15.064 -1.917 1.00 51.23 H new ATOM 0 HG SER A 9 5.959 -14.620 -3.596 1.00 23.13 H new ATOM 124 N PHE A 10 2.369 -11.824 -2.656 1.00 12.43 N ATOM 125 CA PHE A 10 1.957 -10.467 -3.050 1.00 52.23 C ATOM 126 C PHE A 10 2.914 -9.393 -2.504 1.00 20.04 C ATOM 127 O PHE A 10 3.378 -9.478 -1.366 1.00 1.21 O ATOM 128 CB PHE A 10 0.529 -10.192 -2.555 1.00 24.13 C ATOM 129 CG PHE A 10 -0.488 -11.193 -3.051 1.00 64.03 C ATOM 130 CD1 PHE A 10 -1.068 -11.053 -4.303 1.00 25.55 C ATOM 131 CD2 PHE A 10 -0.854 -12.280 -2.268 1.00 34.12 C ATOM 132 CE1 PHE A 10 -1.990 -11.973 -4.763 1.00 14.22 C ATOM 133 CE2 PHE A 10 -1.778 -13.201 -2.723 1.00 74.34 C ATOM 134 CZ PHE A 10 -2.345 -13.048 -3.972 1.00 52.32 C ATOM 0 H PHE A 10 2.634 -11.914 -1.675 1.00 12.43 H new ATOM 0 HA PHE A 10 1.989 -10.415 -4.138 1.00 52.23 H new ATOM 0 HB2 PHE A 10 0.525 -10.193 -1.465 1.00 24.13 H new ATOM 0 HB3 PHE A 10 0.229 -9.194 -2.874 1.00 24.13 H new ATOM 0 HD1 PHE A 10 -0.795 -10.214 -4.926 1.00 25.55 H new ATOM 0 HD2 PHE A 10 -0.411 -12.407 -1.291 1.00 34.12 H new ATOM 0 HE1 PHE A 10 -2.433 -11.852 -5.741 1.00 14.22 H new ATOM 0 HE2 PHE A 10 -2.056 -14.040 -2.102 1.00 74.34 H new ATOM 0 HZ PHE A 10 -3.066 -13.768 -4.330 1.00 52.32 H new ATOM 144 N ILE A 11 3.201 -8.381 -3.325 1.00 64.45 N ATOM 145 CA ILE A 11 4.070 -7.265 -2.925 1.00 2.35 C ATOM 146 C ILE A 11 3.295 -5.936 -2.904 1.00 14.51 C ATOM 147 O ILE A 11 2.420 -5.709 -3.737 1.00 12.01 O ATOM 148 CB ILE A 11 5.284 -7.121 -3.883 1.00 70.34 C ATOM 149 CG1 ILE A 11 6.049 -8.452 -3.995 1.00 25.20 C ATOM 150 CG2 ILE A 11 6.215 -6.004 -3.408 1.00 24.13 C ATOM 151 CD1 ILE A 11 7.298 -8.372 -4.856 1.00 44.12 C ATOM 0 H ILE A 11 2.843 -8.309 -4.277 1.00 64.45 H new ATOM 0 HA ILE A 11 4.429 -7.491 -1.921 1.00 2.35 H new ATOM 0 HB ILE A 11 4.909 -6.858 -4.872 1.00 70.34 H new ATOM 0 HG12 ILE A 11 6.329 -8.784 -2.995 1.00 25.20 H new ATOM 0 HG13 ILE A 11 5.383 -9.209 -4.408 1.00 25.20 H new ATOM 0 HG21 ILE A 11 7.059 -5.919 -4.092 1.00 24.13 H new ATOM 0 HG22 ILE A 11 5.669 -5.061 -3.385 1.00 24.13 H new ATOM 0 HG23 ILE A 11 6.581 -6.236 -2.408 1.00 24.13 H new ATOM 0 HD11 ILE A 11 7.782 -9.348 -4.886 1.00 44.12 H new ATOM 0 HD12 ILE A 11 7.024 -8.071 -5.867 1.00 44.12 H new ATOM 0 HD13 ILE A 11 7.985 -7.639 -4.433 1.00 44.12 H new ATOM 163 N LEU A 12 3.615 -5.063 -1.951 1.00 75.03 N ATOM 164 CA LEU A 12 2.991 -3.739 -1.877 1.00 52.11 C ATOM 165 C LEU A 12 3.891 -2.670 -2.516 1.00 50.40 C ATOM 166 O LEU A 12 5.038 -2.479 -2.097 1.00 53.42 O ATOM 167 CB LEU A 12 2.712 -3.367 -0.411 1.00 51.45 C ATOM 168 CG LEU A 12 2.005 -2.014 -0.195 1.00 14.14 C ATOM 169 CD1 LEU A 12 0.572 -2.052 -0.726 1.00 50.45 C ATOM 170 CD2 LEU A 12 2.030 -1.624 1.284 1.00 73.20 C ATOM 0 H LEU A 12 4.302 -5.246 -1.219 1.00 75.03 H new ATOM 0 HA LEU A 12 2.051 -3.778 -2.428 1.00 52.11 H new ATOM 0 HB2 LEU A 12 2.102 -4.152 0.035 1.00 51.45 H new ATOM 0 HB3 LEU A 12 3.659 -3.353 0.129 1.00 51.45 H new ATOM 0 HG LEU A 12 2.548 -1.254 -0.757 1.00 14.14 H new ATOM 0 HD11 LEU A 12 0.097 -1.085 -0.561 1.00 50.45 H new ATOM 0 HD12 LEU A 12 0.585 -2.272 -1.793 1.00 50.45 H new ATOM 0 HD13 LEU A 12 0.011 -2.826 -0.203 1.00 50.45 H new ATOM 0 HD21 LEU A 12 1.526 -0.666 1.416 1.00 73.20 H new ATOM 0 HD22 LEU A 12 1.518 -2.387 1.870 1.00 73.20 H new ATOM 0 HD23 LEU A 12 3.063 -1.540 1.621 1.00 73.20 H new ATOM 182 N LYS A 13 3.380 -1.983 -3.536 1.00 15.24 N ATOM 183 CA LYS A 13 4.103 -0.863 -4.147 1.00 22.31 C ATOM 184 C LYS A 13 3.428 0.476 -3.815 1.00 13.25 C ATOM 185 O LYS A 13 2.217 0.632 -3.976 1.00 45.20 O ATOM 186 CB LYS A 13 4.204 -1.016 -5.673 1.00 70.15 C ATOM 187 CG LYS A 13 4.846 -2.325 -6.134 1.00 13.22 C ATOM 188 CD LYS A 13 5.517 -2.195 -7.509 1.00 11.21 C ATOM 189 CE LYS A 13 4.647 -1.453 -8.525 1.00 54.35 C ATOM 190 NZ LYS A 13 3.385 -2.169 -8.841 1.00 32.31 N ATOM 0 H LYS A 13 2.472 -2.179 -3.957 1.00 15.24 H new ATOM 0 HA LYS A 13 5.110 -0.873 -3.729 1.00 22.31 H new ATOM 0 HB2 LYS A 13 3.204 -0.946 -6.100 1.00 70.15 H new ATOM 0 HB3 LYS A 13 4.781 -0.182 -6.072 1.00 70.15 H new ATOM 0 HG2 LYS A 13 5.587 -2.642 -5.400 1.00 13.22 H new ATOM 0 HG3 LYS A 13 4.085 -3.105 -6.176 1.00 13.22 H new ATOM 0 HD2 LYS A 13 6.465 -1.670 -7.397 1.00 11.21 H new ATOM 0 HD3 LYS A 13 5.747 -3.189 -7.892 1.00 11.21 H new ATOM 0 HE2 LYS A 13 4.409 -0.463 -8.137 1.00 54.35 H new ATOM 0 HE3 LYS A 13 5.215 -1.307 -9.444 1.00 54.35 H new ATOM 0 HZ1 LYS A 13 2.705 -1.504 -9.262 1.00 32.31 H new ATOM 0 HZ2 LYS A 13 3.581 -2.937 -9.514 1.00 32.31 H new ATOM 0 HZ3 LYS A 13 2.984 -2.568 -7.968 1.00 32.31 H new ATOM 204 N VAL A 14 4.225 1.438 -3.357 1.00 3.43 N ATOM 205 CA VAL A 14 3.722 2.778 -3.023 1.00 35.12 C ATOM 206 C VAL A 14 4.329 3.853 -3.942 1.00 2.43 C ATOM 207 O VAL A 14 5.546 4.044 -3.982 1.00 25.15 O ATOM 208 CB VAL A 14 4.023 3.142 -1.545 1.00 31.34 C ATOM 209 CG1 VAL A 14 3.574 4.568 -1.226 1.00 34.25 C ATOM 210 CG2 VAL A 14 3.360 2.143 -0.597 1.00 11.15 C ATOM 0 H VAL A 14 5.227 1.319 -3.206 1.00 3.43 H new ATOM 0 HA VAL A 14 2.642 2.753 -3.172 1.00 35.12 H new ATOM 0 HB VAL A 14 5.102 3.090 -1.400 1.00 31.34 H new ATOM 0 HG11 VAL A 14 3.797 4.795 -0.184 1.00 34.25 H new ATOM 0 HG12 VAL A 14 4.103 5.269 -1.872 1.00 34.25 H new ATOM 0 HG13 VAL A 14 2.501 4.658 -1.395 1.00 34.25 H new ATOM 0 HG21 VAL A 14 3.584 2.416 0.434 1.00 11.15 H new ATOM 0 HG22 VAL A 14 2.281 2.157 -0.750 1.00 11.15 H new ATOM 0 HG23 VAL A 14 3.742 1.142 -0.798 1.00 11.15 H new ATOM 220 N LEU A 15 3.474 4.545 -4.687 1.00 73.10 N ATOM 221 CA LEU A 15 3.913 5.629 -5.570 1.00 51.03 C ATOM 222 C LEU A 15 3.975 6.950 -4.781 1.00 43.13 C ATOM 223 O LEU A 15 2.942 7.522 -4.421 1.00 14.34 O ATOM 224 CB LEU A 15 2.953 5.755 -6.770 1.00 51.31 C ATOM 225 CG LEU A 15 3.586 6.208 -8.103 1.00 3.42 C ATOM 226 CD1 LEU A 15 2.521 6.309 -9.191 1.00 32.52 C ATOM 227 CD2 LEU A 15 4.328 7.536 -7.947 1.00 32.03 C ATOM 0 H LEU A 15 2.468 4.376 -4.699 1.00 73.10 H new ATOM 0 HA LEU A 15 4.909 5.403 -5.950 1.00 51.03 H new ATOM 0 HB2 LEU A 15 2.474 4.789 -6.929 1.00 51.31 H new ATOM 0 HB3 LEU A 15 2.166 6.462 -6.507 1.00 51.31 H new ATOM 0 HG LEU A 15 4.317 5.456 -8.399 1.00 3.42 H new ATOM 0 HD11 LEU A 15 2.984 6.630 -10.124 1.00 32.52 H new ATOM 0 HD12 LEU A 15 2.053 5.335 -9.334 1.00 32.52 H new ATOM 0 HD13 LEU A 15 1.764 7.035 -8.893 1.00 32.52 H new ATOM 0 HD21 LEU A 15 4.761 7.825 -8.904 1.00 32.03 H new ATOM 0 HD22 LEU A 15 3.631 8.306 -7.617 1.00 32.03 H new ATOM 0 HD23 LEU A 15 5.122 7.425 -7.208 1.00 32.03 H new ATOM 239 N TRP A 16 5.190 7.422 -4.508 1.00 2.21 N ATOM 240 CA TRP A 16 5.390 8.625 -3.695 1.00 23.41 C ATOM 241 C TRP A 16 5.416 9.888 -4.577 1.00 25.43 C ATOM 242 O TRP A 16 6.305 10.050 -5.419 1.00 34.14 O ATOM 243 CB TRP A 16 6.700 8.495 -2.901 1.00 12.24 C ATOM 244 CG TRP A 16 6.765 9.367 -1.679 1.00 45.13 C ATOM 245 CD1 TRP A 16 7.304 10.620 -1.579 1.00 71.10 C ATOM 246 CD2 TRP A 16 6.275 9.036 -0.373 1.00 24.24 C ATOM 247 NE1 TRP A 16 7.182 11.082 -0.290 1.00 23.31 N ATOM 248 CE2 TRP A 16 6.551 10.128 0.469 1.00 42.25 C ATOM 249 CE3 TRP A 16 5.628 7.916 0.163 1.00 25.45 C ATOM 250 CZ2 TRP A 16 6.200 10.133 1.818 1.00 73.23 C ATOM 251 CZ3 TRP A 16 5.282 7.923 1.501 1.00 55.31 C ATOM 252 CH2 TRP A 16 5.569 9.024 2.316 1.00 33.32 C ATOM 0 H TRP A 16 6.053 6.990 -4.837 1.00 2.21 H new ATOM 0 HA TRP A 16 4.556 8.722 -3.000 1.00 23.41 H new ATOM 0 HB2 TRP A 16 6.828 7.455 -2.600 1.00 12.24 H new ATOM 0 HB3 TRP A 16 7.535 8.742 -3.556 1.00 12.24 H new ATOM 0 HD1 TRP A 16 7.758 11.166 -2.393 1.00 71.10 H new ATOM 0 HE1 TRP A 16 7.508 11.988 0.048 1.00 23.31 H new ATOM 0 HE3 TRP A 16 5.403 7.062 -0.458 1.00 25.45 H new ATOM 0 HZ2 TRP A 16 6.418 10.982 2.449 1.00 73.23 H new ATOM 0 HZ3 TRP A 16 4.782 7.065 1.925 1.00 55.31 H new ATOM 0 HH2 TRP A 16 5.287 8.999 3.358 1.00 33.32 H new ATOM 263 N LEU A 17 4.442 10.777 -4.385 1.00 44.32 N ATOM 264 CA LEU A 17 4.325 11.986 -5.217 1.00 70.10 C ATOM 265 C LEU A 17 4.595 13.278 -4.425 1.00 12.25 C ATOM 266 O LEU A 17 4.857 13.250 -3.224 1.00 51.11 O ATOM 267 CB LEU A 17 2.931 12.055 -5.860 1.00 24.23 C ATOM 268 CG LEU A 17 2.627 10.958 -6.893 1.00 2.42 C ATOM 269 CD1 LEU A 17 1.198 11.087 -7.411 1.00 1.25 C ATOM 270 CD2 LEU A 17 3.625 11.013 -8.048 1.00 42.05 C ATOM 0 H LEU A 17 3.724 10.689 -3.666 1.00 44.32 H new ATOM 0 HA LEU A 17 5.089 11.912 -5.991 1.00 70.10 H new ATOM 0 HB2 LEU A 17 2.182 12.004 -5.070 1.00 24.23 H new ATOM 0 HB3 LEU A 17 2.820 13.026 -6.343 1.00 24.23 H new ATOM 0 HG LEU A 17 2.726 9.990 -6.401 1.00 2.42 H new ATOM 0 HD11 LEU A 17 1.003 10.301 -8.141 1.00 1.25 H new ATOM 0 HD12 LEU A 17 0.500 10.991 -6.580 1.00 1.25 H new ATOM 0 HD13 LEU A 17 1.069 12.061 -7.883 1.00 1.25 H new ATOM 0 HD21 LEU A 17 3.392 10.228 -8.768 1.00 42.05 H new ATOM 0 HD22 LEU A 17 3.562 11.985 -8.537 1.00 42.05 H new ATOM 0 HD23 LEU A 17 4.634 10.865 -7.664 1.00 42.05 H new ATOM 282 N ASP A 18 4.501 14.409 -5.129 1.00 25.34 N ATOM 283 CA ASP A 18 4.759 15.743 -4.567 1.00 25.53 C ATOM 284 C ASP A 18 3.915 16.027 -3.303 1.00 73.25 C ATOM 285 O ASP A 18 4.444 16.459 -2.277 1.00 51.45 O ATOM 286 CB ASP A 18 4.474 16.790 -5.655 1.00 44.50 C ATOM 287 CG ASP A 18 4.641 18.217 -5.168 1.00 11.42 C ATOM 288 OD1 ASP A 18 5.795 18.665 -5.002 1.00 71.33 O ATOM 289 OD2 ASP A 18 3.616 18.903 -4.967 1.00 44.14 O ATOM 0 H ASP A 18 4.241 14.428 -6.115 1.00 25.34 H new ATOM 0 HA ASP A 18 5.802 15.792 -4.253 1.00 25.53 H new ATOM 0 HB2 ASP A 18 5.143 16.620 -6.498 1.00 44.50 H new ATOM 0 HB3 ASP A 18 3.457 16.655 -6.023 1.00 44.50 H new ATOM 294 N GLN A 19 2.602 15.803 -3.392 1.00 45.15 N ATOM 295 CA GLN A 19 1.695 16.002 -2.247 1.00 53.14 C ATOM 296 C GLN A 19 0.694 14.846 -2.102 1.00 61.14 C ATOM 297 O GLN A 19 -0.259 14.937 -1.328 1.00 33.55 O ATOM 298 CB GLN A 19 0.930 17.332 -2.388 1.00 20.44 C ATOM 299 CG GLN A 19 1.795 18.576 -2.199 1.00 24.45 C ATOM 300 CD GLN A 19 0.997 19.867 -2.313 1.00 51.23 C ATOM 301 OE1 GLN A 19 0.471 20.378 -1.331 1.00 45.44 O ATOM 302 NE2 GLN A 19 0.900 20.402 -3.514 1.00 44.14 N ATOM 0 H GLN A 19 2.138 15.484 -4.243 1.00 45.15 H new ATOM 0 HA GLN A 19 2.313 16.030 -1.350 1.00 53.14 H new ATOM 0 HB2 GLN A 19 0.470 17.370 -3.375 1.00 20.44 H new ATOM 0 HB3 GLN A 19 0.121 17.352 -1.658 1.00 20.44 H new ATOM 0 HG2 GLN A 19 2.275 18.535 -1.221 1.00 24.45 H new ATOM 0 HG3 GLN A 19 2.590 18.578 -2.945 1.00 24.45 H new ATOM 0 HE21 GLN A 19 1.350 19.951 -4.311 1.00 44.14 H new ATOM 0 HE22 GLN A 19 0.375 21.267 -3.646 1.00 44.14 H new ATOM 311 N ASN A 20 0.923 13.752 -2.829 1.00 64.54 N ATOM 312 CA ASN A 20 0.003 12.604 -2.817 1.00 55.43 C ATOM 313 C ASN A 20 0.747 11.277 -2.609 1.00 34.22 C ATOM 314 O ASN A 20 1.947 11.169 -2.871 1.00 2.53 O ATOM 315 CB ASN A 20 -0.794 12.545 -4.127 1.00 51.34 C ATOM 316 CG ASN A 20 -1.696 13.750 -4.316 1.00 60.45 C ATOM 317 OD1 ASN A 20 -2.853 13.743 -3.913 1.00 41.21 O ATOM 318 ND2 ASN A 20 -1.178 14.791 -4.932 1.00 14.51 N ATOM 0 H ASN A 20 1.735 13.632 -3.434 1.00 64.54 H new ATOM 0 HA ASN A 20 -0.679 12.745 -1.978 1.00 55.43 H new ATOM 0 HB2 ASN A 20 -0.102 12.479 -4.966 1.00 51.34 H new ATOM 0 HB3 ASN A 20 -1.398 11.638 -4.140 1.00 51.34 H new ATOM 0 HD21 ASN A 20 -1.744 15.626 -5.087 1.00 14.51 H new ATOM 0 HD22 ASN A 20 -0.211 14.763 -5.255 1.00 14.51 H new ATOM 325 N VAL A 21 0.017 10.268 -2.146 1.00 63.24 N ATOM 326 CA VAL A 21 0.572 8.927 -1.939 1.00 52.55 C ATOM 327 C VAL A 21 -0.381 7.842 -2.477 1.00 42.51 C ATOM 328 O VAL A 21 -1.538 7.745 -2.060 1.00 71.23 O ATOM 329 CB VAL A 21 0.874 8.684 -0.435 1.00 62.14 C ATOM 330 CG1 VAL A 21 -0.347 8.990 0.422 1.00 14.11 C ATOM 331 CG2 VAL A 21 1.358 7.256 -0.187 1.00 31.34 C ATOM 0 H VAL A 21 -0.970 10.351 -1.904 1.00 63.24 H new ATOM 0 HA VAL A 21 1.507 8.864 -2.496 1.00 52.55 H new ATOM 0 HB VAL A 21 1.675 9.365 -0.148 1.00 62.14 H new ATOM 0 HG11 VAL A 21 -0.109 8.812 1.471 1.00 14.11 H new ATOM 0 HG12 VAL A 21 -0.634 10.033 0.287 1.00 14.11 H new ATOM 0 HG13 VAL A 21 -1.173 8.345 0.122 1.00 14.11 H new ATOM 0 HG21 VAL A 21 1.560 7.120 0.875 1.00 31.34 H new ATOM 0 HG22 VAL A 21 0.589 6.551 -0.503 1.00 31.34 H new ATOM 0 HG23 VAL A 21 2.270 7.077 -0.756 1.00 31.34 H new ATOM 341 N ALA A 22 0.102 7.037 -3.420 1.00 60.55 N ATOM 342 CA ALA A 22 -0.716 5.983 -4.031 1.00 62.44 C ATOM 343 C ALA A 22 -0.222 4.581 -3.642 1.00 52.44 C ATOM 344 O ALA A 22 0.977 4.319 -3.635 1.00 41.22 O ATOM 345 CB ALA A 22 -0.723 6.138 -5.547 1.00 1.22 C ATOM 0 H ALA A 22 1.055 7.091 -3.780 1.00 60.55 H new ATOM 0 HA ALA A 22 -1.733 6.091 -3.653 1.00 62.44 H new ATOM 0 HB1 ALA A 22 -1.333 5.351 -5.990 1.00 1.22 H new ATOM 0 HB2 ALA A 22 -1.138 7.111 -5.811 1.00 1.22 H new ATOM 0 HB3 ALA A 22 0.297 6.063 -5.925 1.00 1.22 H new ATOM 351 N ILE A 23 -1.151 3.682 -3.326 1.00 13.54 N ATOM 352 CA ILE A 23 -0.801 2.302 -2.950 1.00 20.35 C ATOM 353 C ILE A 23 -1.375 1.275 -3.941 1.00 45.25 C ATOM 354 O ILE A 23 -2.457 1.471 -4.499 1.00 51.30 O ATOM 355 CB ILE A 23 -1.299 1.957 -1.520 1.00 35.01 C ATOM 356 CG1 ILE A 23 -2.829 2.112 -1.418 1.00 64.41 C ATOM 357 CG2 ILE A 23 -0.598 2.834 -0.482 1.00 71.23 C ATOM 358 CD1 ILE A 23 -3.400 1.732 -0.064 1.00 42.21 C ATOM 0 H ILE A 23 -2.152 3.878 -3.321 1.00 13.54 H new ATOM 0 HA ILE A 23 0.287 2.247 -2.975 1.00 20.35 H new ATOM 0 HB ILE A 23 -1.051 0.915 -1.316 1.00 35.01 H new ATOM 0 HG12 ILE A 23 -3.094 3.147 -1.635 1.00 64.41 H new ATOM 0 HG13 ILE A 23 -3.298 1.495 -2.185 1.00 64.41 H new ATOM 0 HG21 ILE A 23 -0.959 2.578 0.514 1.00 71.23 H new ATOM 0 HG22 ILE A 23 0.478 2.667 -0.532 1.00 71.23 H new ATOM 0 HG23 ILE A 23 -0.812 3.883 -0.688 1.00 71.23 H new ATOM 0 HD11 ILE A 23 -4.481 1.869 -0.074 1.00 42.21 H new ATOM 0 HD12 ILE A 23 -3.168 0.688 0.149 1.00 42.21 H new ATOM 0 HD13 ILE A 23 -2.961 2.366 0.707 1.00 42.21 H new ATOM 370 N ALA A 24 -0.634 0.185 -4.154 1.00 22.22 N ATOM 371 CA ALA A 24 -1.074 -0.906 -5.035 1.00 64.14 C ATOM 372 C ALA A 24 -0.405 -2.238 -4.656 1.00 51.22 C ATOM 373 O ALA A 24 0.633 -2.255 -3.995 1.00 61.50 O ATOM 374 CB ALA A 24 -0.775 -0.566 -6.492 1.00 22.04 C ATOM 0 H ALA A 24 0.279 0.032 -3.727 1.00 22.22 H new ATOM 0 HA ALA A 24 -2.151 -1.021 -4.909 1.00 64.14 H new ATOM 0 HB1 ALA A 24 -1.107 -1.384 -7.132 1.00 22.04 H new ATOM 0 HB2 ALA A 24 -1.302 0.347 -6.768 1.00 22.04 H new ATOM 0 HB3 ALA A 24 0.298 -0.418 -6.618 1.00 22.04 H new ATOM 380 N VAL A 25 -1.005 -3.352 -5.079 1.00 10.02 N ATOM 381 CA VAL A 25 -0.459 -4.690 -4.798 1.00 44.33 C ATOM 382 C VAL A 25 -0.138 -5.453 -6.095 1.00 13.13 C ATOM 383 O VAL A 25 -0.904 -5.412 -7.060 1.00 42.34 O ATOM 384 CB VAL A 25 -1.443 -5.531 -3.934 1.00 22.24 C ATOM 385 CG1 VAL A 25 -0.918 -6.951 -3.718 1.00 2.12 C ATOM 386 CG2 VAL A 25 -1.701 -4.848 -2.591 1.00 43.01 C ATOM 0 H VAL A 25 -1.871 -3.359 -5.619 1.00 10.02 H new ATOM 0 HA VAL A 25 0.466 -4.542 -4.241 1.00 44.33 H new ATOM 0 HB VAL A 25 -2.386 -5.600 -4.477 1.00 22.24 H new ATOM 0 HG11 VAL A 25 -1.628 -7.513 -3.111 1.00 2.12 H new ATOM 0 HG12 VAL A 25 -0.795 -7.444 -4.682 1.00 2.12 H new ATOM 0 HG13 VAL A 25 0.044 -6.909 -3.207 1.00 2.12 H new ATOM 0 HG21 VAL A 25 -2.391 -5.452 -2.002 1.00 43.01 H new ATOM 0 HG22 VAL A 25 -0.760 -4.741 -2.050 1.00 43.01 H new ATOM 0 HG23 VAL A 25 -2.135 -3.863 -2.761 1.00 43.01 H new ATOM 396 N ASP A 26 1.004 -6.142 -6.109 1.00 15.53 N ATOM 397 CA ASP A 26 1.431 -6.946 -7.260 1.00 11.41 C ATOM 398 C ASP A 26 1.472 -8.442 -6.904 1.00 12.22 C ATOM 399 O ASP A 26 1.894 -8.820 -5.810 1.00 3.15 O ATOM 400 CB ASP A 26 2.817 -6.486 -7.736 1.00 70.04 C ATOM 401 CG ASP A 26 2.821 -5.039 -8.200 1.00 73.33 C ATOM 402 OD1 ASP A 26 2.549 -4.144 -7.375 1.00 24.13 O ATOM 403 OD2 ASP A 26 3.095 -4.785 -9.391 1.00 24.32 O ATOM 0 H ASP A 26 1.658 -6.160 -5.327 1.00 15.53 H new ATOM 0 HA ASP A 26 0.706 -6.804 -8.062 1.00 11.41 H new ATOM 0 HB2 ASP A 26 3.535 -6.606 -6.925 1.00 70.04 H new ATOM 0 HB3 ASP A 26 3.149 -7.127 -8.553 1.00 70.04 H new ATOM 408 N GLN A 27 1.035 -9.287 -7.834 1.00 40.13 N ATOM 409 CA GLN A 27 1.020 -10.741 -7.629 1.00 43.22 C ATOM 410 C GLN A 27 2.307 -11.401 -8.165 1.00 54.24 C ATOM 411 O GLN A 27 2.674 -11.231 -9.332 1.00 24.32 O ATOM 412 CB GLN A 27 -0.218 -11.352 -8.312 1.00 2.15 C ATOM 413 CG GLN A 27 -0.287 -11.087 -9.814 1.00 21.20 C ATOM 414 CD GLN A 27 -1.502 -11.710 -10.478 1.00 11.24 C ATOM 415 OE1 GLN A 27 -2.553 -11.087 -10.599 1.00 24.21 O ATOM 416 NE2 GLN A 27 -1.371 -12.945 -10.914 1.00 51.41 N ATOM 0 H GLN A 27 0.683 -8.991 -8.745 1.00 40.13 H new ATOM 0 HA GLN A 27 0.973 -10.932 -6.557 1.00 43.22 H new ATOM 0 HB2 GLN A 27 -0.221 -12.429 -8.142 1.00 2.15 H new ATOM 0 HB3 GLN A 27 -1.116 -10.952 -7.840 1.00 2.15 H new ATOM 0 HG2 GLN A 27 -0.299 -10.011 -9.986 1.00 21.20 H new ATOM 0 HG3 GLN A 27 0.616 -11.475 -10.286 1.00 21.20 H new ATOM 0 HE21 GLN A 27 -0.484 -13.435 -10.798 1.00 51.41 H new ATOM 0 HE22 GLN A 27 -2.156 -13.412 -11.368 1.00 51.41 H new ATOM 425 N ILE A 28 2.995 -12.147 -7.303 1.00 50.11 N ATOM 426 CA ILE A 28 4.189 -12.893 -7.710 1.00 32.31 C ATOM 427 C ILE A 28 3.805 -14.234 -8.355 1.00 32.24 C ATOM 428 O ILE A 28 3.419 -15.188 -7.674 1.00 31.34 O ATOM 429 CB ILE A 28 5.141 -13.147 -6.517 1.00 40.12 C ATOM 430 CG1 ILE A 28 5.592 -11.811 -5.898 1.00 3.31 C ATOM 431 CG2 ILE A 28 6.351 -13.980 -6.953 1.00 41.52 C ATOM 432 CD1 ILE A 28 6.544 -11.967 -4.730 1.00 14.43 C ATOM 0 H ILE A 28 2.748 -12.252 -6.319 1.00 50.11 H new ATOM 0 HA ILE A 28 4.712 -12.278 -8.443 1.00 32.31 H new ATOM 0 HB ILE A 28 4.599 -13.713 -5.759 1.00 40.12 H new ATOM 0 HG12 ILE A 28 6.073 -11.209 -6.669 1.00 3.31 H new ATOM 0 HG13 ILE A 28 4.712 -11.260 -5.566 1.00 3.31 H new ATOM 0 HG21 ILE A 28 7.006 -14.146 -6.098 1.00 41.52 H new ATOM 0 HG22 ILE A 28 6.011 -14.940 -7.341 1.00 41.52 H new ATOM 0 HG23 ILE A 28 6.898 -13.447 -7.731 1.00 41.52 H new ATOM 0 HD11 ILE A 28 6.816 -10.983 -4.348 1.00 14.43 H new ATOM 0 HD12 ILE A 28 6.060 -12.541 -3.940 1.00 14.43 H new ATOM 0 HD13 ILE A 28 7.442 -12.489 -5.060 1.00 14.43 H new ATOM 444 N VAL A 29 3.896 -14.288 -9.678 1.00 62.35 N ATOM 445 CA VAL A 29 3.563 -15.494 -10.439 1.00 41.34 C ATOM 446 C VAL A 29 4.816 -16.355 -10.672 1.00 64.32 C ATOM 447 O VAL A 29 5.931 -15.834 -10.730 1.00 14.44 O ATOM 448 CB VAL A 29 2.936 -15.122 -11.812 1.00 21.44 C ATOM 449 CG1 VAL A 29 2.328 -16.343 -12.497 1.00 51.04 C ATOM 450 CG2 VAL A 29 1.903 -14.005 -11.653 1.00 10.10 C ATOM 0 H VAL A 29 4.201 -13.504 -10.255 1.00 62.35 H new ATOM 0 HA VAL A 29 2.840 -16.064 -9.856 1.00 41.34 H new ATOM 0 HB VAL A 29 3.736 -14.753 -12.454 1.00 21.44 H new ATOM 0 HG11 VAL A 29 1.899 -16.047 -13.454 1.00 51.04 H new ATOM 0 HG12 VAL A 29 3.103 -17.091 -12.663 1.00 51.04 H new ATOM 0 HG13 VAL A 29 1.547 -16.764 -11.864 1.00 51.04 H new ATOM 0 HG21 VAL A 29 1.478 -13.761 -12.627 1.00 10.10 H new ATOM 0 HG22 VAL A 29 1.110 -14.336 -10.983 1.00 10.10 H new ATOM 0 HG23 VAL A 29 2.385 -13.121 -11.236 1.00 10.10 H new ATOM 460 N GLY A 30 4.631 -17.668 -10.811 1.00 53.21 N ATOM 461 CA GLY A 30 5.753 -18.563 -11.111 1.00 73.00 C ATOM 462 C GLY A 30 6.502 -18.188 -12.397 1.00 42.44 C ATOM 463 O GLY A 30 7.625 -18.635 -12.624 1.00 62.04 O ATOM 0 H GLY A 30 3.727 -18.133 -10.722 1.00 53.21 H new ATOM 0 HA2 GLY A 30 6.452 -18.551 -10.275 1.00 73.00 H new ATOM 0 HA3 GLY A 30 5.381 -19.584 -11.200 1.00 73.00 H new ATOM 467 N LYS A 31 5.860 -17.382 -13.247 1.00 44.41 N ATOM 468 CA LYS A 31 6.490 -16.861 -14.469 1.00 32.52 C ATOM 469 C LYS A 31 7.167 -15.500 -14.217 1.00 65.32 C ATOM 470 O LYS A 31 8.175 -15.172 -14.846 1.00 34.35 O ATOM 471 CB LYS A 31 5.443 -16.718 -15.589 1.00 0.23 C ATOM 472 CG LYS A 31 4.756 -18.025 -16.010 1.00 23.02 C ATOM 473 CD LYS A 31 5.676 -18.954 -16.818 1.00 45.23 C ATOM 474 CE LYS A 31 6.525 -19.872 -15.939 1.00 4.42 C ATOM 475 NZ LYS A 31 5.689 -20.800 -15.132 1.00 62.42 N ATOM 0 H LYS A 31 4.897 -17.073 -13.112 1.00 44.41 H new ATOM 0 HA LYS A 31 7.256 -17.573 -14.775 1.00 32.52 H new ATOM 0 HB2 LYS A 31 4.679 -16.013 -15.262 1.00 0.23 H new ATOM 0 HB3 LYS A 31 5.926 -16.282 -16.463 1.00 0.23 H new ATOM 0 HG2 LYS A 31 4.410 -18.550 -15.120 1.00 23.02 H new ATOM 0 HG3 LYS A 31 3.873 -17.790 -16.605 1.00 23.02 H new ATOM 0 HD2 LYS A 31 5.069 -19.563 -17.488 1.00 45.23 H new ATOM 0 HD3 LYS A 31 6.334 -18.350 -17.443 1.00 45.23 H new ATOM 0 HE2 LYS A 31 7.204 -20.449 -16.567 1.00 4.42 H new ATOM 0 HE3 LYS A 31 7.142 -19.268 -15.274 1.00 4.42 H new ATOM 0 HZ1 LYS A 31 6.263 -21.615 -14.836 1.00 62.42 H new ATOM 0 HZ2 LYS A 31 5.333 -20.303 -14.291 1.00 62.42 H new ATOM 0 HZ3 LYS A 31 4.886 -21.131 -15.704 1.00 62.42 H new ATOM 489 N GLY A 32 6.608 -14.717 -13.294 1.00 64.41 N ATOM 490 CA GLY A 32 7.145 -13.396 -12.990 1.00 45.30 C ATOM 491 C GLY A 32 6.189 -12.554 -12.147 1.00 61.43 C ATOM 492 O GLY A 32 5.092 -12.996 -11.806 1.00 54.23 O ATOM 0 H GLY A 32 5.787 -14.976 -12.747 1.00 64.41 H new ATOM 0 HA2 GLY A 32 8.091 -13.505 -12.460 1.00 45.30 H new ATOM 0 HA3 GLY A 32 7.360 -12.872 -13.921 1.00 45.30 H new ATOM 496 N THR A 33 6.603 -11.342 -11.809 1.00 42.44 N ATOM 497 CA THR A 33 5.769 -10.422 -11.017 1.00 73.53 C ATOM 498 C THR A 33 4.833 -9.598 -11.909 1.00 14.45 C ATOM 499 O THR A 33 5.264 -9.006 -12.898 1.00 62.52 O ATOM 500 CB THR A 33 6.627 -9.441 -10.181 1.00 13.00 C ATOM 501 OG1 THR A 33 7.497 -8.683 -11.042 1.00 73.52 O ATOM 502 CG2 THR A 33 7.455 -10.188 -9.140 1.00 24.33 C ATOM 0 H THR A 33 7.514 -10.963 -12.067 1.00 42.44 H new ATOM 0 HA THR A 33 5.181 -11.052 -10.349 1.00 73.53 H new ATOM 0 HB THR A 33 5.951 -8.761 -9.662 1.00 13.00 H new ATOM 0 HG1 THR A 33 7.031 -8.478 -11.879 1.00 73.52 H new ATOM 0 HG21 THR A 33 8.048 -9.475 -8.567 1.00 24.33 H new ATOM 0 HG22 THR A 33 6.790 -10.731 -8.468 1.00 24.33 H new ATOM 0 HG23 THR A 33 8.119 -10.893 -9.641 1.00 24.33 H new ATOM 510 N SER A 34 3.555 -9.548 -11.546 1.00 75.32 N ATOM 511 CA SER A 34 2.546 -8.822 -12.338 1.00 14.53 C ATOM 512 C SER A 34 1.630 -7.978 -11.437 1.00 54.32 C ATOM 513 O SER A 34 1.155 -8.464 -10.415 1.00 13.23 O ATOM 514 CB SER A 34 1.692 -9.815 -13.145 1.00 25.44 C ATOM 515 OG SER A 34 0.775 -9.143 -14.002 1.00 14.30 O ATOM 0 H SER A 34 3.185 -9.999 -10.709 1.00 75.32 H new ATOM 0 HA SER A 34 3.075 -8.154 -13.017 1.00 14.53 H new ATOM 0 HB2 SER A 34 2.343 -10.456 -13.739 1.00 25.44 H new ATOM 0 HB3 SER A 34 1.144 -10.463 -12.461 1.00 25.44 H new ATOM 0 HG SER A 34 0.250 -9.803 -14.501 1.00 14.30 H new ATOM 521 N PRO A 35 1.372 -6.703 -11.796 1.00 33.21 N ATOM 522 CA PRO A 35 0.460 -5.830 -11.029 1.00 44.43 C ATOM 523 C PRO A 35 -0.928 -6.458 -10.810 1.00 74.33 C ATOM 524 O PRO A 35 -1.597 -6.864 -11.763 1.00 22.23 O ATOM 525 CB PRO A 35 0.351 -4.572 -11.904 1.00 5.41 C ATOM 526 CG PRO A 35 1.618 -4.556 -12.691 1.00 65.52 C ATOM 527 CD PRO A 35 1.955 -6.001 -12.954 1.00 44.30 C ATOM 0 HA PRO A 35 0.837 -5.639 -10.024 1.00 44.43 H new ATOM 0 HB2 PRO A 35 -0.521 -4.616 -12.556 1.00 5.41 H new ATOM 0 HB3 PRO A 35 0.249 -3.673 -11.296 1.00 5.41 H new ATOM 0 HG2 PRO A 35 1.492 -4.008 -13.624 1.00 65.52 H new ATOM 0 HG3 PRO A 35 2.417 -4.063 -12.137 1.00 65.52 H new ATOM 0 HD2 PRO A 35 1.525 -6.349 -13.893 1.00 44.30 H new ATOM 0 HD3 PRO A 35 3.032 -6.157 -13.018 1.00 44.30 H new ATOM 535 N LEU A 36 -1.352 -6.529 -9.550 1.00 74.24 N ATOM 536 CA LEU A 36 -2.635 -7.145 -9.190 1.00 11.30 C ATOM 537 C LEU A 36 -3.764 -6.103 -9.109 1.00 63.32 C ATOM 538 O LEU A 36 -4.873 -6.332 -9.600 1.00 75.20 O ATOM 539 CB LEU A 36 -2.499 -7.870 -7.843 1.00 51.22 C ATOM 540 CG LEU A 36 -3.763 -8.590 -7.348 1.00 71.34 C ATOM 541 CD1 LEU A 36 -4.121 -9.744 -8.273 1.00 4.42 C ATOM 542 CD2 LEU A 36 -3.583 -9.074 -5.912 1.00 62.15 C ATOM 0 H LEU A 36 -0.826 -6.167 -8.755 1.00 74.24 H new ATOM 0 HA LEU A 36 -2.896 -7.858 -9.972 1.00 11.30 H new ATOM 0 HB2 LEU A 36 -1.694 -8.600 -7.923 1.00 51.22 H new ATOM 0 HB3 LEU A 36 -2.197 -7.144 -7.088 1.00 51.22 H new ATOM 0 HG LEU A 36 -4.589 -7.879 -7.361 1.00 71.34 H new ATOM 0 HD11 LEU A 36 -5.019 -10.240 -7.905 1.00 4.42 H new ATOM 0 HD12 LEU A 36 -4.304 -9.362 -9.277 1.00 4.42 H new ATOM 0 HD13 LEU A 36 -3.297 -10.457 -8.300 1.00 4.42 H new ATOM 0 HD21 LEU A 36 -4.490 -9.581 -5.582 1.00 62.15 H new ATOM 0 HD22 LEU A 36 -2.743 -9.767 -5.864 1.00 62.15 H new ATOM 0 HD23 LEU A 36 -3.388 -8.221 -5.262 1.00 62.15 H new ATOM 554 N THR A 37 -3.483 -4.969 -8.468 1.00 61.52 N ATOM 555 CA THR A 37 -4.475 -3.890 -8.312 1.00 60.04 C ATOM 556 C THR A 37 -3.987 -2.584 -8.954 1.00 65.51 C ATOM 557 O THR A 37 -2.862 -2.501 -9.448 1.00 13.52 O ATOM 558 CB THR A 37 -4.787 -3.600 -6.820 1.00 23.22 C ATOM 559 OG1 THR A 37 -3.643 -3.011 -6.183 1.00 2.12 O ATOM 560 CG2 THR A 37 -5.183 -4.874 -6.075 1.00 4.04 C ATOM 0 H THR A 37 -2.577 -4.768 -8.045 1.00 61.52 H new ATOM 0 HA THR A 37 -5.378 -4.240 -8.812 1.00 60.04 H new ATOM 0 HB THR A 37 -5.627 -2.906 -6.785 1.00 23.22 H new ATOM 0 HG1 THR A 37 -3.850 -2.830 -5.242 1.00 2.12 H new ATOM 0 HG21 THR A 37 -5.395 -4.635 -5.033 1.00 4.04 H new ATOM 0 HG22 THR A 37 -6.072 -5.304 -6.537 1.00 4.04 H new ATOM 0 HG23 THR A 37 -4.365 -5.593 -6.123 1.00 4.04 H new ATOM 568 N SER A 38 -4.846 -1.567 -8.944 1.00 51.43 N ATOM 569 CA SER A 38 -4.471 -0.229 -9.422 1.00 63.43 C ATOM 570 C SER A 38 -3.955 0.635 -8.262 1.00 60.52 C ATOM 571 O SER A 38 -3.934 0.194 -7.109 1.00 70.21 O ATOM 572 CB SER A 38 -5.665 0.459 -10.101 1.00 3.01 C ATOM 573 OG SER A 38 -5.291 1.714 -10.657 1.00 55.41 O ATOM 0 H SER A 38 -5.807 -1.639 -8.611 1.00 51.43 H new ATOM 0 HA SER A 38 -3.672 -0.344 -10.155 1.00 63.43 H new ATOM 0 HB2 SER A 38 -6.061 -0.186 -10.886 1.00 3.01 H new ATOM 0 HB3 SER A 38 -6.465 0.604 -9.375 1.00 3.01 H new ATOM 0 HG SER A 38 -6.070 2.128 -11.084 1.00 55.41 H new ATOM 579 N TYR A 39 -3.550 1.865 -8.567 1.00 1.13 N ATOM 580 CA TYR A 39 -2.963 2.765 -7.562 1.00 31.34 C ATOM 581 C TYR A 39 -4.019 3.705 -6.955 1.00 14.43 C ATOM 582 O TYR A 39 -4.551 4.588 -7.634 1.00 71.40 O ATOM 583 CB TYR A 39 -1.813 3.574 -8.184 1.00 74.51 C ATOM 584 CG TYR A 39 -0.646 2.706 -8.624 1.00 53.40 C ATOM 585 CD1 TYR A 39 -0.669 2.044 -9.848 1.00 44.51 C ATOM 586 CD2 TYR A 39 0.472 2.536 -7.808 1.00 53.01 C ATOM 587 CE1 TYR A 39 0.381 1.237 -10.243 1.00 11.00 C ATOM 588 CE2 TYR A 39 1.527 1.733 -8.201 1.00 45.50 C ATOM 589 CZ TYR A 39 1.476 1.086 -9.419 1.00 52.12 C ATOM 590 OH TYR A 39 2.521 0.279 -9.811 1.00 32.32 O ATOM 0 H TYR A 39 -3.615 2.267 -9.502 1.00 1.13 H new ATOM 0 HA TYR A 39 -2.569 2.151 -6.752 1.00 31.34 H new ATOM 0 HB2 TYR A 39 -2.190 4.129 -9.043 1.00 74.51 H new ATOM 0 HB3 TYR A 39 -1.460 4.308 -7.460 1.00 74.51 H new ATOM 0 HD1 TYR A 39 -1.522 2.163 -10.500 1.00 44.51 H new ATOM 0 HD2 TYR A 39 0.515 3.040 -6.854 1.00 53.01 H new ATOM 0 HE1 TYR A 39 0.344 0.726 -11.194 1.00 11.00 H new ATOM 0 HE2 TYR A 39 2.386 1.613 -7.558 1.00 45.50 H new ATOM 0 HH TYR A 39 3.366 0.766 -9.711 1.00 32.32 H new ATOM 600 N PHE A 40 -4.318 3.504 -5.672 1.00 74.45 N ATOM 601 CA PHE A 40 -5.319 4.314 -4.966 1.00 73.14 C ATOM 602 C PHE A 40 -4.666 5.507 -4.249 1.00 25.35 C ATOM 603 O PHE A 40 -3.710 5.341 -3.488 1.00 10.31 O ATOM 604 CB PHE A 40 -6.079 3.438 -3.966 1.00 61.13 C ATOM 605 CG PHE A 40 -6.694 2.215 -4.607 1.00 53.03 C ATOM 606 CD1 PHE A 40 -7.776 2.339 -5.468 1.00 12.30 C ATOM 607 CD2 PHE A 40 -6.186 0.946 -4.356 1.00 72.52 C ATOM 608 CE1 PHE A 40 -8.336 1.226 -6.067 1.00 32.32 C ATOM 609 CE2 PHE A 40 -6.745 -0.169 -4.952 1.00 51.14 C ATOM 610 CZ PHE A 40 -7.822 -0.028 -5.807 1.00 13.01 C ATOM 0 H PHE A 40 -3.881 2.785 -5.095 1.00 74.45 H new ATOM 0 HA PHE A 40 -6.020 4.713 -5.699 1.00 73.14 H new ATOM 0 HB2 PHE A 40 -5.398 3.124 -3.174 1.00 61.13 H new ATOM 0 HB3 PHE A 40 -6.864 4.030 -3.495 1.00 61.13 H new ATOM 0 HD1 PHE A 40 -8.185 3.317 -5.672 1.00 12.30 H new ATOM 0 HD2 PHE A 40 -5.345 0.830 -3.688 1.00 72.52 H new ATOM 0 HE1 PHE A 40 -9.175 1.338 -6.738 1.00 32.32 H new ATOM 0 HE2 PHE A 40 -6.341 -1.150 -4.750 1.00 51.14 H new ATOM 0 HZ PHE A 40 -8.261 -0.899 -6.271 1.00 13.01 H new ATOM 620 N PHE A 41 -5.199 6.708 -4.488 1.00 71.55 N ATOM 621 CA PHE A 41 -4.588 7.951 -3.994 1.00 30.13 C ATOM 622 C PHE A 41 -5.146 8.404 -2.631 1.00 23.34 C ATOM 623 O PHE A 41 -6.285 8.864 -2.523 1.00 13.13 O ATOM 624 CB PHE A 41 -4.762 9.074 -5.026 1.00 51.11 C ATOM 625 CG PHE A 41 -3.941 8.877 -6.278 1.00 0.14 C ATOM 626 CD1 PHE A 41 -4.380 8.035 -7.292 1.00 2.03 C ATOM 627 CD2 PHE A 41 -2.731 9.537 -6.440 1.00 12.04 C ATOM 628 CE1 PHE A 41 -3.629 7.857 -8.439 1.00 75.01 C ATOM 629 CE2 PHE A 41 -1.978 9.360 -7.584 1.00 73.11 C ATOM 630 CZ PHE A 41 -2.426 8.519 -8.583 1.00 14.43 C ATOM 0 H PHE A 41 -6.056 6.849 -5.023 1.00 71.55 H new ATOM 0 HA PHE A 41 -3.529 7.737 -3.847 1.00 30.13 H new ATOM 0 HB2 PHE A 41 -5.815 9.145 -5.299 1.00 51.11 H new ATOM 0 HB3 PHE A 41 -4.487 10.024 -4.567 1.00 51.11 H new ATOM 0 HD1 PHE A 41 -5.319 7.513 -7.183 1.00 2.03 H new ATOM 0 HD2 PHE A 41 -2.374 10.196 -5.663 1.00 12.04 H new ATOM 0 HE1 PHE A 41 -3.983 7.201 -9.221 1.00 75.01 H new ATOM 0 HE2 PHE A 41 -1.038 9.880 -7.697 1.00 73.11 H new ATOM 0 HZ PHE A 41 -1.836 8.379 -9.477 1.00 14.43 H new ATOM 640 N TRP A 42 -4.317 8.285 -1.602 1.00 72.12 N ATOM 641 CA TRP A 42 -4.631 8.795 -0.263 1.00 62.30 C ATOM 642 C TRP A 42 -4.079 10.232 -0.096 1.00 14.24 C ATOM 643 O TRP A 42 -2.978 10.532 -0.562 1.00 73.31 O ATOM 644 CB TRP A 42 -4.034 7.828 0.782 1.00 53.25 C ATOM 645 CG TRP A 42 -3.928 8.376 2.178 1.00 33.52 C ATOM 646 CD1 TRP A 42 -2.813 8.908 2.754 1.00 74.44 C ATOM 647 CD2 TRP A 42 -4.956 8.423 3.178 1.00 70.23 C ATOM 648 NE1 TRP A 42 -3.082 9.301 4.035 1.00 53.44 N ATOM 649 CE2 TRP A 42 -4.390 9.016 4.324 1.00 42.24 C ATOM 650 CE3 TRP A 42 -6.299 8.033 3.217 1.00 51.03 C ATOM 651 CZ2 TRP A 42 -5.116 9.228 5.492 1.00 11.33 C ATOM 652 CZ3 TRP A 42 -7.021 8.242 4.380 1.00 5.34 C ATOM 653 CH2 TRP A 42 -6.428 8.836 5.503 1.00 4.34 C ATOM 0 H TRP A 42 -3.405 7.832 -1.667 1.00 72.12 H new ATOM 0 HA TRP A 42 -5.710 8.847 -0.119 1.00 62.30 H new ATOM 0 HB2 TRP A 42 -4.645 6.926 0.809 1.00 53.25 H new ATOM 0 HB3 TRP A 42 -3.040 7.529 0.450 1.00 53.25 H new ATOM 0 HD1 TRP A 42 -1.854 9.005 2.267 1.00 74.44 H new ATOM 0 HE1 TRP A 42 -2.416 9.736 4.673 1.00 53.44 H new ATOM 0 HE3 TRP A 42 -6.764 7.577 2.356 1.00 51.03 H new ATOM 0 HZ2 TRP A 42 -4.661 9.685 6.358 1.00 11.33 H new ATOM 0 HZ3 TRP A 42 -8.058 7.943 4.423 1.00 5.34 H new ATOM 0 HH2 TRP A 42 -7.018 8.987 6.395 1.00 4.34 H new ATOM 664 N PRO A 43 -4.830 11.154 0.552 1.00 72.35 N ATOM 665 CA PRO A 43 -6.148 10.895 1.139 1.00 30.21 C ATOM 666 C PRO A 43 -7.324 11.299 0.233 1.00 3.41 C ATOM 667 O PRO A 43 -8.459 11.428 0.701 1.00 12.24 O ATOM 668 CB PRO A 43 -6.098 11.791 2.377 1.00 73.03 C ATOM 669 CG PRO A 43 -5.312 12.993 1.940 1.00 34.24 C ATOM 670 CD PRO A 43 -4.425 12.550 0.791 1.00 33.33 C ATOM 0 HA PRO A 43 -6.321 9.835 1.325 1.00 30.21 H new ATOM 0 HB2 PRO A 43 -7.099 12.070 2.706 1.00 73.03 H new ATOM 0 HB3 PRO A 43 -5.617 11.285 3.214 1.00 73.03 H new ATOM 0 HG2 PRO A 43 -5.979 13.796 1.625 1.00 34.24 H new ATOM 0 HG3 PRO A 43 -4.712 13.381 2.763 1.00 34.24 H new ATOM 0 HD2 PRO A 43 -4.578 13.168 -0.094 1.00 33.33 H new ATOM 0 HD3 PRO A 43 -3.369 12.621 1.051 1.00 33.33 H new ATOM 678 N ARG A 44 -7.059 11.490 -1.061 1.00 71.53 N ATOM 679 CA ARG A 44 -8.097 11.928 -2.007 1.00 2.32 C ATOM 680 C ARG A 44 -9.235 10.896 -2.121 1.00 14.21 C ATOM 681 O ARG A 44 -10.369 11.234 -2.473 1.00 22.25 O ATOM 682 CB ARG A 44 -7.484 12.203 -3.387 1.00 10.25 C ATOM 683 CG ARG A 44 -6.300 13.166 -3.343 1.00 62.01 C ATOM 684 CD ARG A 44 -5.982 13.752 -4.716 1.00 41.11 C ATOM 685 NE ARG A 44 -5.768 12.727 -5.735 1.00 15.33 N ATOM 686 CZ ARG A 44 -5.339 12.985 -6.940 1.00 22.24 C ATOM 687 NH1 ARG A 44 -5.025 14.195 -7.280 1.00 34.33 N ATOM 688 NH2 ARG A 44 -5.230 12.029 -7.802 1.00 22.03 N ATOM 0 H ARG A 44 -6.140 11.350 -1.480 1.00 71.53 H new ATOM 0 HA ARG A 44 -8.526 12.852 -1.620 1.00 2.32 H new ATOM 0 HB2 ARG A 44 -7.160 11.260 -3.827 1.00 10.25 H new ATOM 0 HB3 ARG A 44 -8.252 12.613 -4.043 1.00 10.25 H new ATOM 0 HG2 ARG A 44 -6.518 13.975 -2.646 1.00 62.01 H new ATOM 0 HG3 ARG A 44 -5.423 12.644 -2.961 1.00 62.01 H new ATOM 0 HD2 ARG A 44 -6.800 14.401 -5.027 1.00 41.11 H new ATOM 0 HD3 ARG A 44 -5.091 14.376 -4.642 1.00 41.11 H new ATOM 0 HE ARG A 44 -5.965 11.756 -5.491 1.00 15.33 H new ATOM 0 HH11 ARG A 44 -5.112 14.954 -6.604 1.00 34.33 H new ATOM 0 HH12 ARG A 44 -4.690 14.389 -8.224 1.00 34.33 H new ATOM 0 HH21 ARG A 44 -5.479 11.075 -7.540 1.00 22.03 H new ATOM 0 HH22 ARG A 44 -4.895 12.228 -8.745 1.00 22.03 H new ATOM 702 N ALA A 45 -8.921 9.643 -1.819 1.00 54.44 N ATOM 703 CA ALA A 45 -9.919 8.576 -1.743 1.00 24.24 C ATOM 704 C ALA A 45 -9.599 7.621 -0.591 1.00 3.20 C ATOM 705 O ALA A 45 -8.490 7.643 -0.045 1.00 12.15 O ATOM 706 CB ALA A 45 -9.981 7.813 -3.059 1.00 34.13 C ATOM 0 H ALA A 45 -7.969 9.335 -1.619 1.00 54.44 H new ATOM 0 HA ALA A 45 -10.893 9.029 -1.556 1.00 24.24 H new ATOM 0 HB1 ALA A 45 -10.728 7.023 -2.986 1.00 34.13 H new ATOM 0 HB2 ALA A 45 -10.253 8.496 -3.863 1.00 34.13 H new ATOM 0 HB3 ALA A 45 -9.007 7.373 -3.271 1.00 34.13 H new ATOM 712 N ASP A 46 -10.566 6.792 -0.216 1.00 10.33 N ATOM 713 CA ASP A 46 -10.352 5.790 0.832 1.00 22.55 C ATOM 714 C ASP A 46 -9.446 4.659 0.315 1.00 41.43 C ATOM 715 O ASP A 46 -9.905 3.556 0.020 1.00 51.52 O ATOM 716 CB ASP A 46 -11.695 5.240 1.321 1.00 23.30 C ATOM 717 CG ASP A 46 -12.637 6.355 1.744 1.00 64.42 C ATOM 718 OD1 ASP A 46 -12.496 6.865 2.875 1.00 44.10 O ATOM 719 OD2 ASP A 46 -13.513 6.739 0.943 1.00 51.20 O ATOM 0 H ASP A 46 -11.504 6.790 -0.617 1.00 10.33 H new ATOM 0 HA ASP A 46 -9.851 6.264 1.676 1.00 22.55 H new ATOM 0 HB2 ASP A 46 -12.158 4.653 0.528 1.00 23.30 H new ATOM 0 HB3 ASP A 46 -11.528 4.566 2.161 1.00 23.30 H new ATOM 724 N ALA A 47 -8.152 4.965 0.193 1.00 63.24 N ATOM 725 CA ALA A 47 -7.172 4.056 -0.416 1.00 43.11 C ATOM 726 C ALA A 47 -7.181 2.654 0.211 1.00 71.23 C ATOM 727 O ALA A 47 -7.255 1.651 -0.500 1.00 52.54 O ATOM 728 CB ALA A 47 -5.777 4.667 -0.328 1.00 41.14 C ATOM 0 H ALA A 47 -7.753 5.848 0.512 1.00 63.24 H new ATOM 0 HA ALA A 47 -7.458 3.930 -1.460 1.00 43.11 H new ATOM 0 HB1 ALA A 47 -5.054 3.989 -0.781 1.00 41.14 H new ATOM 0 HB2 ALA A 47 -5.763 5.619 -0.858 1.00 41.14 H new ATOM 0 HB3 ALA A 47 -5.516 4.830 0.718 1.00 41.14 H new ATOM 734 N TRP A 48 -7.119 2.592 1.536 1.00 15.33 N ATOM 735 CA TRP A 48 -7.059 1.311 2.246 1.00 4.34 C ATOM 736 C TRP A 48 -8.345 0.495 2.032 1.00 25.10 C ATOM 737 O TRP A 48 -8.300 -0.712 1.770 1.00 62.20 O ATOM 738 CB TRP A 48 -6.832 1.551 3.743 1.00 40.43 C ATOM 739 CG TRP A 48 -6.443 0.313 4.496 1.00 63.34 C ATOM 740 CD1 TRP A 48 -5.201 -0.251 4.544 1.00 61.25 C ATOM 741 CD2 TRP A 48 -7.290 -0.512 5.307 1.00 21.12 C ATOM 742 NE1 TRP A 48 -5.224 -1.376 5.326 1.00 31.20 N ATOM 743 CE2 TRP A 48 -6.493 -1.559 5.806 1.00 32.25 C ATOM 744 CE3 TRP A 48 -8.642 -0.470 5.656 1.00 75.12 C ATOM 745 CZ2 TRP A 48 -7.002 -2.553 6.636 1.00 54.03 C ATOM 746 CZ3 TRP A 48 -9.147 -1.457 6.480 1.00 54.03 C ATOM 747 CH2 TRP A 48 -8.329 -2.486 6.963 1.00 63.05 C ATOM 0 H TRP A 48 -7.109 3.411 2.144 1.00 15.33 H new ATOM 0 HA TRP A 48 -6.224 0.739 1.842 1.00 4.34 H new ATOM 0 HB2 TRP A 48 -6.053 2.303 3.868 1.00 40.43 H new ATOM 0 HB3 TRP A 48 -7.743 1.961 4.179 1.00 40.43 H new ATOM 0 HD1 TRP A 48 -4.327 0.134 4.039 1.00 61.25 H new ATOM 0 HE1 TRP A 48 -4.425 -1.980 5.519 1.00 31.20 H new ATOM 0 HE3 TRP A 48 -9.281 0.320 5.288 1.00 75.12 H new ATOM 0 HZ2 TRP A 48 -6.373 -3.348 7.008 1.00 54.03 H new ATOM 0 HZ3 TRP A 48 -10.191 -1.435 6.757 1.00 54.03 H new ATOM 0 HH2 TRP A 48 -8.754 -3.242 7.607 1.00 63.05 H new ATOM 758 N GLN A 49 -9.490 1.169 2.136 1.00 43.52 N ATOM 759 CA GLN A 49 -10.793 0.531 1.922 1.00 20.35 C ATOM 760 C GLN A 49 -10.919 0.004 0.484 1.00 72.24 C ATOM 761 O GLN A 49 -11.351 -1.128 0.258 1.00 42.33 O ATOM 762 CB GLN A 49 -11.928 1.526 2.217 1.00 12.22 C ATOM 763 CG GLN A 49 -13.328 0.913 2.172 1.00 4.24 C ATOM 764 CD GLN A 49 -13.537 -0.192 3.203 1.00 73.24 C ATOM 765 OE1 GLN A 49 -14.300 -1.127 2.978 1.00 74.22 O ATOM 766 NE2 GLN A 49 -12.878 -0.093 4.345 1.00 31.03 N ATOM 0 H GLN A 49 -9.544 2.161 2.368 1.00 43.52 H new ATOM 0 HA GLN A 49 -10.871 -0.314 2.606 1.00 20.35 H new ATOM 0 HB2 GLN A 49 -11.766 1.962 3.203 1.00 12.22 H new ATOM 0 HB3 GLN A 49 -11.878 2.341 1.496 1.00 12.22 H new ATOM 0 HG2 GLN A 49 -14.066 1.698 2.336 1.00 4.24 H new ATOM 0 HG3 GLN A 49 -13.508 0.509 1.176 1.00 4.24 H new ATOM 0 HE21 GLN A 49 -12.250 0.695 4.505 1.00 31.03 H new ATOM 0 HE22 GLN A 49 -12.997 -0.805 5.066 1.00 31.03 H new ATOM 775 N GLN A 50 -10.530 0.834 -0.480 1.00 2.35 N ATOM 776 CA GLN A 50 -10.556 0.450 -1.894 1.00 74.12 C ATOM 777 C GLN A 50 -9.601 -0.723 -2.174 1.00 41.40 C ATOM 778 O GLN A 50 -9.906 -1.602 -2.982 1.00 34.10 O ATOM 779 CB GLN A 50 -10.194 1.654 -2.777 1.00 23.45 C ATOM 780 CG GLN A 50 -11.194 2.807 -2.691 1.00 51.22 C ATOM 781 CD GLN A 50 -10.760 4.044 -3.471 1.00 43.13 C ATOM 782 OE1 GLN A 50 -11.585 4.790 -3.989 1.00 64.22 O ATOM 783 NE2 GLN A 50 -9.465 4.285 -3.542 1.00 51.45 N ATOM 0 H GLN A 50 -10.191 1.781 -0.310 1.00 2.35 H new ATOM 0 HA GLN A 50 -11.567 0.122 -2.135 1.00 74.12 H new ATOM 0 HB2 GLN A 50 -9.208 2.019 -2.490 1.00 23.45 H new ATOM 0 HB3 GLN A 50 -10.123 1.324 -3.813 1.00 23.45 H new ATOM 0 HG2 GLN A 50 -12.160 2.470 -3.067 1.00 51.22 H new ATOM 0 HG3 GLN A 50 -11.336 3.078 -1.645 1.00 51.22 H new ATOM 0 HE21 GLN A 50 -8.803 3.647 -3.101 1.00 51.45 H new ATOM 0 HE22 GLN A 50 -9.126 5.110 -4.037 1.00 51.45 H new ATOM 792 N LEU A 51 -8.454 -0.737 -1.490 1.00 33.03 N ATOM 793 CA LEU A 51 -7.460 -1.805 -1.654 1.00 23.14 C ATOM 794 C LEU A 51 -7.998 -3.158 -1.160 1.00 62.31 C ATOM 795 O LEU A 51 -7.989 -4.148 -1.899 1.00 72.54 O ATOM 796 CB LEU A 51 -6.167 -1.447 -0.902 1.00 62.21 C ATOM 797 CG LEU A 51 -5.032 -2.483 -1.009 1.00 41.22 C ATOM 798 CD1 LEU A 51 -4.645 -2.714 -2.468 1.00 2.41 C ATOM 799 CD2 LEU A 51 -3.819 -2.046 -0.185 1.00 62.41 C ATOM 0 H LEU A 51 -8.189 -0.020 -0.815 1.00 33.03 H new ATOM 0 HA LEU A 51 -7.245 -1.898 -2.719 1.00 23.14 H new ATOM 0 HB2 LEU A 51 -5.801 -0.492 -1.278 1.00 62.21 H new ATOM 0 HB3 LEU A 51 -6.407 -1.304 0.152 1.00 62.21 H new ATOM 0 HG LEU A 51 -5.394 -3.427 -0.602 1.00 41.22 H new ATOM 0 HD11 LEU A 51 -3.842 -3.449 -2.519 1.00 2.41 H new ATOM 0 HD12 LEU A 51 -5.510 -3.082 -3.020 1.00 2.41 H new ATOM 0 HD13 LEU A 51 -4.307 -1.776 -2.908 1.00 2.41 H new ATOM 0 HD21 LEU A 51 -3.030 -2.792 -0.275 1.00 62.41 H new ATOM 0 HD22 LEU A 51 -3.455 -1.087 -0.554 1.00 62.41 H new ATOM 0 HD23 LEU A 51 -4.107 -1.947 0.862 1.00 62.41 H new ATOM 811 N LYS A 52 -8.473 -3.201 0.088 1.00 41.45 N ATOM 812 CA LYS A 52 -9.009 -4.443 0.656 1.00 63.23 C ATOM 813 C LYS A 52 -10.208 -4.943 -0.157 1.00 50.40 C ATOM 814 O LYS A 52 -10.353 -6.141 -0.387 1.00 60.42 O ATOM 815 CB LYS A 52 -9.407 -4.255 2.130 1.00 14.10 C ATOM 816 CG LYS A 52 -10.630 -3.368 2.356 1.00 61.21 C ATOM 817 CD LYS A 52 -10.922 -3.169 3.844 1.00 62.11 C ATOM 818 CE LYS A 52 -11.195 -4.488 4.565 1.00 63.22 C ATOM 819 NZ LYS A 52 -12.449 -5.139 4.101 1.00 34.41 N ATOM 0 H LYS A 52 -8.498 -2.400 0.719 1.00 41.45 H new ATOM 0 HA LYS A 52 -8.220 -5.193 0.609 1.00 63.23 H new ATOM 0 HB2 LYS A 52 -9.601 -5.235 2.567 1.00 14.10 H new ATOM 0 HB3 LYS A 52 -8.561 -3.827 2.668 1.00 14.10 H new ATOM 0 HG2 LYS A 52 -10.468 -2.399 1.885 1.00 61.21 H new ATOM 0 HG3 LYS A 52 -11.498 -3.816 1.872 1.00 61.21 H new ATOM 0 HD2 LYS A 52 -10.075 -2.670 4.314 1.00 62.11 H new ATOM 0 HD3 LYS A 52 -11.783 -2.511 3.958 1.00 62.11 H new ATOM 0 HE2 LYS A 52 -10.357 -5.166 4.406 1.00 63.22 H new ATOM 0 HE3 LYS A 52 -11.259 -4.306 5.638 1.00 63.22 H new ATOM 0 HZ1 LYS A 52 -12.680 -5.935 4.730 1.00 34.41 H new ATOM 0 HZ2 LYS A 52 -13.226 -4.448 4.118 1.00 34.41 H new ATOM 0 HZ3 LYS A 52 -12.319 -5.491 3.131 1.00 34.41 H new ATOM 833 N ASP A 53 -11.050 -4.010 -0.601 1.00 64.32 N ATOM 834 CA ASP A 53 -12.216 -4.335 -1.425 1.00 34.33 C ATOM 835 C ASP A 53 -11.806 -5.073 -2.716 1.00 33.13 C ATOM 836 O ASP A 53 -12.474 -6.018 -3.143 1.00 42.01 O ATOM 837 CB ASP A 53 -12.982 -3.047 -1.750 1.00 64.24 C ATOM 838 CG ASP A 53 -14.201 -3.285 -2.618 1.00 72.52 C ATOM 839 OD1 ASP A 53 -15.166 -3.914 -2.140 1.00 22.13 O ATOM 840 OD2 ASP A 53 -14.205 -2.835 -3.784 1.00 1.12 O ATOM 0 H ASP A 53 -10.945 -3.015 -0.402 1.00 64.32 H new ATOM 0 HA ASP A 53 -12.865 -5.008 -0.864 1.00 34.33 H new ATOM 0 HB2 ASP A 53 -13.293 -2.571 -0.820 1.00 64.24 H new ATOM 0 HB3 ASP A 53 -12.313 -2.351 -2.256 1.00 64.24 H new ATOM 845 N GLU A 54 -10.702 -4.642 -3.328 1.00 65.31 N ATOM 846 CA GLU A 54 -10.159 -5.319 -4.515 1.00 61.12 C ATOM 847 C GLU A 54 -9.666 -6.734 -4.179 1.00 20.40 C ATOM 848 O GLU A 54 -9.933 -7.684 -4.913 1.00 12.04 O ATOM 849 CB GLU A 54 -9.010 -4.500 -5.117 1.00 43.12 C ATOM 850 CG GLU A 54 -9.452 -3.203 -5.781 1.00 51.32 C ATOM 851 CD GLU A 54 -10.307 -3.433 -7.019 1.00 75.35 C ATOM 852 OE1 GLU A 54 -9.745 -3.777 -8.079 1.00 22.44 O ATOM 853 OE2 GLU A 54 -11.541 -3.262 -6.944 1.00 21.32 O ATOM 0 H GLU A 54 -10.165 -3.830 -3.025 1.00 65.31 H new ATOM 0 HA GLU A 54 -10.965 -5.403 -5.244 1.00 61.12 H new ATOM 0 HB2 GLU A 54 -8.293 -4.267 -4.330 1.00 43.12 H new ATOM 0 HB3 GLU A 54 -8.488 -5.112 -5.852 1.00 43.12 H new ATOM 0 HG2 GLU A 54 -10.014 -2.606 -5.063 1.00 51.32 H new ATOM 0 HG3 GLU A 54 -8.571 -2.623 -6.057 1.00 51.32 H new ATOM 860 N LEU A 55 -8.946 -6.866 -3.068 1.00 65.04 N ATOM 861 CA LEU A 55 -8.425 -8.167 -2.626 1.00 64.55 C ATOM 862 C LEU A 55 -9.561 -9.139 -2.251 1.00 54.54 C ATOM 863 O LEU A 55 -9.444 -10.350 -2.444 1.00 21.24 O ATOM 864 CB LEU A 55 -7.472 -7.967 -1.439 1.00 2.41 C ATOM 865 CG LEU A 55 -6.191 -7.170 -1.752 1.00 33.45 C ATOM 866 CD1 LEU A 55 -5.388 -6.918 -0.476 1.00 5.43 C ATOM 867 CD2 LEU A 55 -5.340 -7.907 -2.789 1.00 62.13 C ATOM 0 H LEU A 55 -8.707 -6.089 -2.452 1.00 65.04 H new ATOM 0 HA LEU A 55 -7.879 -8.614 -3.457 1.00 64.55 H new ATOM 0 HB2 LEU A 55 -8.013 -7.456 -0.642 1.00 2.41 H new ATOM 0 HB3 LEU A 55 -7.186 -8.946 -1.054 1.00 2.41 H new ATOM 0 HG LEU A 55 -6.480 -6.205 -2.169 1.00 33.45 H new ATOM 0 HD11 LEU A 55 -4.487 -6.354 -0.718 1.00 5.43 H new ATOM 0 HD12 LEU A 55 -5.994 -6.349 0.229 1.00 5.43 H new ATOM 0 HD13 LEU A 55 -5.109 -7.871 -0.027 1.00 5.43 H new ATOM 0 HD21 LEU A 55 -4.440 -7.329 -2.998 1.00 62.13 H new ATOM 0 HD22 LEU A 55 -5.061 -8.887 -2.401 1.00 62.13 H new ATOM 0 HD23 LEU A 55 -5.913 -8.031 -3.708 1.00 62.13 H new ATOM 879 N GLU A 56 -10.657 -8.602 -1.713 1.00 53.20 N ATOM 880 CA GLU A 56 -11.845 -9.409 -1.403 1.00 31.44 C ATOM 881 C GLU A 56 -12.623 -9.745 -2.686 1.00 24.25 C ATOM 882 O GLU A 56 -13.234 -10.810 -2.803 1.00 24.12 O ATOM 883 CB GLU A 56 -12.750 -8.663 -0.407 1.00 4.51 C ATOM 884 CG GLU A 56 -12.061 -8.331 0.918 1.00 43.12 C ATOM 885 CD GLU A 56 -12.962 -7.587 1.893 1.00 54.35 C ATOM 886 OE1 GLU A 56 -13.052 -6.345 1.803 1.00 52.24 O ATOM 887 OE2 GLU A 56 -13.579 -8.240 2.761 1.00 64.13 O ATOM 0 H GLU A 56 -10.750 -7.613 -1.482 1.00 53.20 H new ATOM 0 HA GLU A 56 -11.518 -10.343 -0.947 1.00 31.44 H new ATOM 0 HB2 GLU A 56 -13.098 -7.738 -0.868 1.00 4.51 H new ATOM 0 HB3 GLU A 56 -13.632 -9.270 -0.206 1.00 4.51 H new ATOM 0 HG2 GLU A 56 -11.718 -9.255 1.383 1.00 43.12 H new ATOM 0 HG3 GLU A 56 -11.176 -7.727 0.718 1.00 43.12 H new ATOM 894 N ALA A 57 -12.589 -8.825 -3.649 1.00 4.04 N ATOM 895 CA ALA A 57 -13.182 -9.055 -4.970 1.00 71.22 C ATOM 896 C ALA A 57 -12.435 -10.165 -5.723 1.00 73.22 C ATOM 897 O ALA A 57 -13.040 -10.977 -6.426 1.00 4.41 O ATOM 898 CB ALA A 57 -13.167 -7.765 -5.779 1.00 61.35 C ATOM 0 H ALA A 57 -12.155 -7.908 -3.540 1.00 4.04 H new ATOM 0 HA ALA A 57 -14.214 -9.377 -4.832 1.00 71.22 H new ATOM 0 HB1 ALA A 57 -13.609 -7.945 -6.759 1.00 61.35 H new ATOM 0 HB2 ALA A 57 -13.742 -7.001 -5.256 1.00 61.35 H new ATOM 0 HB3 ALA A 57 -12.139 -7.425 -5.902 1.00 61.35 H new ATOM 904 N LYS A 58 -11.114 -10.182 -5.579 1.00 41.41 N ATOM 905 CA LYS A 58 -10.282 -11.240 -6.150 1.00 50.24 C ATOM 906 C LYS A 58 -10.276 -12.459 -5.212 1.00 1.42 C ATOM 907 O LYS A 58 -9.409 -12.598 -4.348 1.00 34.15 O ATOM 908 CB LYS A 58 -8.855 -10.719 -6.370 1.00 51.44 C ATOM 909 CG LYS A 58 -8.786 -9.437 -7.198 1.00 3.25 C ATOM 910 CD LYS A 58 -7.388 -8.824 -7.169 1.00 40.44 C ATOM 911 CE LYS A 58 -7.337 -7.469 -7.868 1.00 11.21 C ATOM 912 NZ LYS A 58 -7.631 -7.573 -9.320 1.00 72.23 N ATOM 0 H LYS A 58 -10.592 -9.470 -5.068 1.00 41.41 H new ATOM 0 HA LYS A 58 -10.692 -11.544 -7.113 1.00 50.24 H new ATOM 0 HB2 LYS A 58 -8.391 -10.539 -5.400 1.00 51.44 H new ATOM 0 HB3 LYS A 58 -8.269 -11.492 -6.866 1.00 51.44 H new ATOM 0 HG2 LYS A 58 -9.068 -9.653 -8.229 1.00 3.25 H new ATOM 0 HG3 LYS A 58 -9.508 -8.716 -6.815 1.00 3.25 H new ATOM 0 HD2 LYS A 58 -7.065 -8.709 -6.134 1.00 40.44 H new ATOM 0 HD3 LYS A 58 -6.685 -9.505 -7.649 1.00 40.44 H new ATOM 0 HE2 LYS A 58 -8.055 -6.795 -7.401 1.00 11.21 H new ATOM 0 HE3 LYS A 58 -6.350 -7.028 -7.730 1.00 11.21 H new ATOM 0 HZ1 LYS A 58 -6.837 -7.179 -9.864 1.00 72.23 H new ATOM 0 HZ2 LYS A 58 -7.765 -8.572 -9.576 1.00 72.23 H new ATOM 0 HZ3 LYS A 58 -8.498 -7.041 -9.538 1.00 72.23 H new ATOM 926 N HIS A 59 -11.257 -13.339 -5.393 1.00 22.43 N ATOM 927 CA HIS A 59 -11.530 -14.425 -4.440 1.00 53.14 C ATOM 928 C HIS A 59 -10.419 -15.489 -4.364 1.00 24.31 C ATOM 929 O HIS A 59 -10.517 -16.425 -3.570 1.00 2.23 O ATOM 930 CB HIS A 59 -12.869 -15.089 -4.783 1.00 62.42 C ATOM 931 CG HIS A 59 -14.042 -14.182 -4.579 1.00 1.04 C ATOM 932 ND1 HIS A 59 -14.591 -13.938 -3.342 1.00 4.31 N ATOM 933 CD2 HIS A 59 -14.768 -13.447 -5.457 1.00 53.03 C ATOM 934 CE1 HIS A 59 -15.594 -13.098 -3.464 1.00 62.31 C ATOM 935 NE2 HIS A 59 -15.727 -12.784 -4.733 1.00 20.43 N ATOM 0 H HIS A 59 -11.885 -13.325 -6.197 1.00 22.43 H new ATOM 0 HA HIS A 59 -11.571 -13.963 -3.454 1.00 53.14 H new ATOM 0 HB2 HIS A 59 -12.849 -15.419 -5.822 1.00 62.42 H new ATOM 0 HB3 HIS A 59 -12.994 -15.980 -4.168 1.00 62.42 H new ATOM 0 HD2 HIS A 59 -14.620 -13.393 -6.525 1.00 53.03 H new ATOM 0 HE1 HIS A 59 -16.207 -12.727 -2.656 1.00 62.31 H new ATOM 0 HE2 HIS A 59 -16.428 -12.151 -5.117 1.00 20.43 H new ATOM 944 N TRP A 60 -9.372 -15.354 -5.176 1.00 73.31 N ATOM 945 CA TRP A 60 -8.239 -16.293 -5.126 1.00 13.25 C ATOM 946 C TRP A 60 -7.114 -15.779 -4.203 1.00 32.54 C ATOM 947 O TRP A 60 -6.080 -16.430 -4.040 1.00 22.31 O ATOM 948 CB TRP A 60 -7.712 -16.589 -6.541 1.00 52.55 C ATOM 949 CG TRP A 60 -7.259 -15.381 -7.310 1.00 22.53 C ATOM 950 CD1 TRP A 60 -8.047 -14.477 -7.964 1.00 33.13 C ATOM 951 CD2 TRP A 60 -5.906 -14.964 -7.527 1.00 14.15 C ATOM 952 NE1 TRP A 60 -7.268 -13.517 -8.562 1.00 20.35 N ATOM 953 CE2 TRP A 60 -5.950 -13.796 -8.311 1.00 22.04 C ATOM 954 CE3 TRP A 60 -4.663 -15.465 -7.129 1.00 24.44 C ATOM 955 CZ2 TRP A 60 -4.798 -13.124 -8.705 1.00 23.44 C ATOM 956 CZ3 TRP A 60 -3.520 -14.795 -7.520 1.00 71.21 C ATOM 957 CH2 TRP A 60 -3.595 -13.636 -8.302 1.00 41.24 C ATOM 0 H TRP A 60 -9.279 -14.614 -5.871 1.00 73.31 H new ATOM 0 HA TRP A 60 -8.602 -17.228 -4.699 1.00 13.25 H new ATOM 0 HB2 TRP A 60 -6.878 -17.287 -6.464 1.00 52.55 H new ATOM 0 HB3 TRP A 60 -8.496 -17.090 -7.108 1.00 52.55 H new ATOM 0 HD1 TRP A 60 -9.126 -14.512 -8.005 1.00 33.13 H new ATOM 0 HE1 TRP A 60 -7.614 -12.726 -9.104 1.00 20.35 H new ATOM 0 HE3 TRP A 60 -4.598 -16.359 -6.527 1.00 24.44 H new ATOM 0 HZ2 TRP A 60 -4.851 -12.229 -9.308 1.00 23.44 H new ATOM 0 HZ3 TRP A 60 -2.554 -15.171 -7.218 1.00 71.21 H new ATOM 0 HH2 TRP A 60 -2.683 -13.135 -8.593 1.00 41.24 H new ATOM 968 N ILE A 61 -7.329 -14.611 -3.599 1.00 71.41 N ATOM 969 CA ILE A 61 -6.415 -14.076 -2.576 1.00 3.45 C ATOM 970 C ILE A 61 -6.784 -14.631 -1.188 1.00 35.14 C ATOM 971 O ILE A 61 -7.946 -14.570 -0.782 1.00 11.33 O ATOM 972 CB ILE A 61 -6.452 -12.516 -2.531 1.00 10.24 C ATOM 973 CG1 ILE A 61 -5.661 -11.896 -3.700 1.00 53.21 C ATOM 974 CG2 ILE A 61 -5.914 -11.989 -1.199 1.00 12.34 C ATOM 975 CD1 ILE A 61 -6.110 -12.343 -5.073 1.00 62.23 C ATOM 0 H ILE A 61 -8.130 -14.011 -3.798 1.00 71.41 H new ATOM 0 HA ILE A 61 -5.406 -14.390 -2.845 1.00 3.45 H new ATOM 0 HB ILE A 61 -7.496 -12.219 -2.629 1.00 10.24 H new ATOM 0 HG12 ILE A 61 -5.743 -10.811 -3.641 1.00 53.21 H new ATOM 0 HG13 ILE A 61 -4.606 -12.143 -3.579 1.00 53.21 H new ATOM 0 HG21 ILE A 61 -5.952 -10.900 -1.197 1.00 12.34 H new ATOM 0 HG22 ILE A 61 -6.524 -12.375 -0.382 1.00 12.34 H new ATOM 0 HG23 ILE A 61 -4.883 -12.316 -1.068 1.00 12.34 H new ATOM 0 HD11 ILE A 61 -5.498 -11.856 -5.832 1.00 62.23 H new ATOM 0 HD12 ILE A 61 -6.001 -13.424 -5.157 1.00 62.23 H new ATOM 0 HD13 ILE A 61 -7.155 -12.071 -5.220 1.00 62.23 H new ATOM 987 N ALA A 62 -5.797 -15.167 -0.466 1.00 35.13 N ATOM 988 CA ALA A 62 -6.031 -15.744 0.866 1.00 62.34 C ATOM 989 C ALA A 62 -6.096 -14.661 1.956 1.00 14.30 C ATOM 990 O ALA A 62 -5.613 -13.540 1.768 1.00 64.41 O ATOM 991 CB ALA A 62 -4.942 -16.760 1.197 1.00 51.21 C ATOM 0 H ALA A 62 -4.827 -15.215 -0.779 1.00 35.13 H new ATOM 0 HA ALA A 62 -6.998 -16.246 0.843 1.00 62.34 H new ATOM 0 HB1 ALA A 62 -5.125 -17.181 2.186 1.00 51.21 H new ATOM 0 HB2 ALA A 62 -4.952 -17.559 0.455 1.00 51.21 H new ATOM 0 HB3 ALA A 62 -3.970 -16.267 1.187 1.00 51.21 H new ATOM 997 N GLU A 63 -6.691 -15.006 3.101 1.00 60.11 N ATOM 998 CA GLU A 63 -6.822 -14.066 4.224 1.00 61.24 C ATOM 999 C GLU A 63 -5.454 -13.565 4.709 1.00 22.41 C ATOM 1000 O GLU A 63 -5.203 -12.361 4.734 1.00 14.40 O ATOM 1001 CB GLU A 63 -7.586 -14.707 5.393 1.00 44.15 C ATOM 1002 CG GLU A 63 -7.689 -13.801 6.620 1.00 31.44 C ATOM 1003 CD GLU A 63 -8.441 -14.441 7.775 1.00 12.40 C ATOM 1004 OE1 GLU A 63 -7.894 -15.371 8.405 1.00 21.34 O ATOM 1005 OE2 GLU A 63 -9.575 -14.010 8.065 1.00 2.32 O ATOM 0 H GLU A 63 -7.090 -15.928 3.277 1.00 60.11 H new ATOM 0 HA GLU A 63 -7.388 -13.210 3.857 1.00 61.24 H new ATOM 0 HB2 GLU A 63 -8.590 -14.971 5.060 1.00 44.15 H new ATOM 0 HB3 GLU A 63 -7.090 -15.635 5.676 1.00 44.15 H new ATOM 0 HG2 GLU A 63 -6.686 -13.534 6.952 1.00 31.44 H new ATOM 0 HG3 GLU A 63 -8.189 -12.874 6.338 1.00 31.44 H new ATOM 1012 N ALA A 64 -4.571 -14.490 5.082 1.00 12.35 N ATOM 1013 CA ALA A 64 -3.241 -14.131 5.593 1.00 52.12 C ATOM 1014 C ALA A 64 -2.503 -13.170 4.647 1.00 61.44 C ATOM 1015 O ALA A 64 -1.894 -12.191 5.086 1.00 34.33 O ATOM 1016 CB ALA A 64 -2.414 -15.387 5.823 1.00 22.13 C ATOM 0 H ALA A 64 -4.748 -15.494 5.042 1.00 12.35 H new ATOM 0 HA ALA A 64 -3.379 -13.612 6.541 1.00 52.12 H new ATOM 0 HB1 ALA A 64 -1.430 -15.110 6.202 1.00 22.13 H new ATOM 0 HB2 ALA A 64 -2.916 -16.025 6.550 1.00 22.13 H new ATOM 0 HB3 ALA A 64 -2.302 -15.926 4.882 1.00 22.13 H new ATOM 1022 N ASP A 65 -2.573 -13.449 3.347 1.00 52.54 N ATOM 1023 CA ASP A 65 -1.943 -12.597 2.337 1.00 72.03 C ATOM 1024 C ASP A 65 -2.575 -11.195 2.296 1.00 14.51 C ATOM 1025 O ASP A 65 -1.865 -10.186 2.357 1.00 44.54 O ATOM 1026 CB ASP A 65 -2.032 -13.255 0.960 1.00 32.22 C ATOM 1027 CG ASP A 65 -1.245 -14.550 0.898 1.00 70.21 C ATOM 1028 OD1 ASP A 65 -0.011 -14.493 0.720 1.00 4.43 O ATOM 1029 OD2 ASP A 65 -1.851 -15.625 1.043 1.00 3.15 O ATOM 0 H ASP A 65 -3.061 -14.260 2.966 1.00 52.54 H new ATOM 0 HA ASP A 65 -0.895 -12.479 2.614 1.00 72.03 H new ATOM 0 HB2 ASP A 65 -3.076 -13.454 0.720 1.00 32.22 H new ATOM 0 HB3 ASP A 65 -1.656 -12.566 0.204 1.00 32.22 H new ATOM 1034 N ARG A 66 -3.909 -11.129 2.202 1.00 15.12 N ATOM 1035 CA ARG A 66 -4.598 -9.836 2.125 1.00 74.25 C ATOM 1036 C ARG A 66 -4.339 -9.006 3.394 1.00 2.14 C ATOM 1037 O ARG A 66 -4.125 -7.801 3.323 1.00 71.01 O ATOM 1038 CB ARG A 66 -6.118 -10.010 1.899 1.00 73.42 C ATOM 1039 CG ARG A 66 -6.912 -10.400 3.146 1.00 61.21 C ATOM 1040 CD ARG A 66 -8.413 -10.483 2.869 1.00 63.41 C ATOM 1041 NE ARG A 66 -9.203 -10.554 4.103 1.00 22.25 N ATOM 1042 CZ ARG A 66 -10.512 -10.487 4.142 1.00 71.33 C ATOM 1043 NH1 ARG A 66 -11.207 -10.466 3.056 1.00 12.33 N ATOM 1044 NH2 ARG A 66 -11.125 -10.478 5.277 1.00 71.25 N ATOM 0 H ARG A 66 -4.524 -11.942 2.178 1.00 15.12 H new ATOM 0 HA ARG A 66 -4.193 -9.302 1.265 1.00 74.25 H new ATOM 0 HB2 ARG A 66 -6.522 -9.077 1.506 1.00 73.42 H new ATOM 0 HB3 ARG A 66 -6.272 -10.771 1.134 1.00 73.42 H new ATOM 0 HG2 ARG A 66 -6.558 -11.363 3.514 1.00 61.21 H new ATOM 0 HG3 ARG A 66 -6.729 -9.670 3.935 1.00 61.21 H new ATOM 0 HD2 ARG A 66 -8.722 -9.612 2.292 1.00 63.41 H new ATOM 0 HD3 ARG A 66 -8.619 -11.361 2.257 1.00 63.41 H new ATOM 0 HE ARG A 66 -8.703 -10.662 4.985 1.00 22.25 H new ATOM 0 HH11 ARG A 66 -10.739 -10.502 2.150 1.00 12.33 H new ATOM 0 HH12 ARG A 66 -12.225 -10.414 3.103 1.00 12.33 H new ATOM 0 HH21 ARG A 66 -10.591 -10.523 6.145 1.00 71.25 H new ATOM 0 HH22 ARG A 66 -12.143 -10.426 5.306 1.00 71.25 H new ATOM 1058 N ILE A 67 -4.325 -9.667 4.548 1.00 54.42 N ATOM 1059 CA ILE A 67 -4.128 -8.981 5.826 1.00 13.14 C ATOM 1060 C ILE A 67 -2.689 -8.462 5.976 1.00 10.22 C ATOM 1061 O ILE A 67 -2.474 -7.346 6.447 1.00 73.35 O ATOM 1062 CB ILE A 67 -4.485 -9.905 7.018 1.00 21.44 C ATOM 1063 CG1 ILE A 67 -5.946 -10.374 6.909 1.00 70.21 C ATOM 1064 CG2 ILE A 67 -4.246 -9.199 8.351 1.00 73.33 C ATOM 1065 CD1 ILE A 67 -6.956 -9.244 6.870 1.00 60.41 C ATOM 0 H ILE A 67 -4.447 -10.677 4.627 1.00 54.42 H new ATOM 0 HA ILE A 67 -4.801 -8.124 5.834 1.00 13.14 H new ATOM 0 HB ILE A 67 -3.833 -10.778 6.980 1.00 21.44 H new ATOM 0 HG12 ILE A 67 -6.057 -10.978 6.008 1.00 70.21 H new ATOM 0 HG13 ILE A 67 -6.173 -11.021 7.756 1.00 70.21 H new ATOM 0 HG21 ILE A 67 -4.505 -9.870 9.170 1.00 73.33 H new ATOM 0 HG22 ILE A 67 -3.196 -8.917 8.431 1.00 73.33 H new ATOM 0 HG23 ILE A 67 -4.867 -8.305 8.405 1.00 73.33 H new ATOM 0 HD11 ILE A 67 -7.962 -9.657 6.793 1.00 60.41 H new ATOM 0 HD12 ILE A 67 -6.876 -8.653 7.782 1.00 60.41 H new ATOM 0 HD13 ILE A 67 -6.758 -8.608 6.007 1.00 60.41 H new ATOM 1077 N ASN A 68 -1.711 -9.266 5.557 1.00 0.02 N ATOM 1078 CA ASN A 68 -0.304 -8.851 5.592 1.00 11.53 C ATOM 1079 C ASN A 68 -0.095 -7.529 4.835 1.00 52.11 C ATOM 1080 O ASN A 68 0.433 -6.561 5.388 1.00 74.34 O ATOM 1081 CB ASN A 68 0.592 -9.945 4.996 1.00 51.31 C ATOM 1082 CG ASN A 68 2.051 -9.523 4.909 1.00 63.44 C ATOM 1083 OD1 ASN A 68 2.825 -9.709 5.841 1.00 33.45 O ATOM 1084 ND2 ASN A 68 2.436 -8.952 3.785 1.00 24.32 N ATOM 0 H ASN A 68 -1.864 -10.205 5.190 1.00 0.02 H new ATOM 0 HA ASN A 68 -0.028 -8.694 6.635 1.00 11.53 H new ATOM 0 HB2 ASN A 68 0.514 -10.845 5.605 1.00 51.31 H new ATOM 0 HB3 ASN A 68 0.232 -10.202 4.000 1.00 51.31 H new ATOM 0 HD21 ASN A 68 3.404 -8.650 3.672 1.00 24.32 H new ATOM 0 HD22 ASN A 68 1.766 -8.812 3.029 1.00 24.32 H new ATOM 1091 N VAL A 69 -0.524 -7.492 3.572 1.00 13.30 N ATOM 1092 CA VAL A 69 -0.364 -6.290 2.742 1.00 22.23 C ATOM 1093 C VAL A 69 -1.210 -5.115 3.269 1.00 43.44 C ATOM 1094 O VAL A 69 -0.800 -3.956 3.177 1.00 1.21 O ATOM 1095 CB VAL A 69 -0.709 -6.563 1.254 1.00 44.43 C ATOM 1096 CG1 VAL A 69 0.232 -7.612 0.666 1.00 11.03 C ATOM 1097 CG2 VAL A 69 -2.164 -6.994 1.097 1.00 14.33 C ATOM 0 H VAL A 69 -0.982 -8.273 3.102 1.00 13.30 H new ATOM 0 HA VAL A 69 0.688 -6.013 2.804 1.00 22.23 H new ATOM 0 HB VAL A 69 -0.574 -5.633 0.702 1.00 44.43 H new ATOM 0 HG11 VAL A 69 -0.027 -7.789 -0.378 1.00 11.03 H new ATOM 0 HG12 VAL A 69 1.260 -7.255 0.729 1.00 11.03 H new ATOM 0 HG13 VAL A 69 0.136 -8.542 1.226 1.00 11.03 H new ATOM 0 HG21 VAL A 69 -2.377 -7.178 0.044 1.00 14.33 H new ATOM 0 HG22 VAL A 69 -2.337 -7.907 1.667 1.00 14.33 H new ATOM 0 HG23 VAL A 69 -2.819 -6.205 1.467 1.00 14.33 H new ATOM 1107 N LEU A 70 -2.384 -5.413 3.832 1.00 5.24 N ATOM 1108 CA LEU A 70 -3.243 -4.374 4.419 1.00 12.35 C ATOM 1109 C LEU A 70 -2.608 -3.749 5.671 1.00 34.33 C ATOM 1110 O LEU A 70 -2.602 -2.529 5.822 1.00 3.10 O ATOM 1111 CB LEU A 70 -4.632 -4.939 4.759 1.00 32.14 C ATOM 1112 CG LEU A 70 -5.529 -5.245 3.550 1.00 62.24 C ATOM 1113 CD1 LEU A 70 -6.843 -5.877 4.001 1.00 21.53 C ATOM 1114 CD2 LEU A 70 -5.781 -3.979 2.731 1.00 54.44 C ATOM 0 H LEU A 70 -2.762 -6.358 3.895 1.00 5.24 H new ATOM 0 HA LEU A 70 -3.354 -3.589 3.670 1.00 12.35 H new ATOM 0 HB2 LEU A 70 -4.503 -5.855 5.336 1.00 32.14 H new ATOM 0 HB3 LEU A 70 -5.148 -4.227 5.403 1.00 32.14 H new ATOM 0 HG LEU A 70 -5.013 -5.962 2.911 1.00 62.24 H new ATOM 0 HD11 LEU A 70 -7.464 -6.086 3.130 1.00 21.53 H new ATOM 0 HD12 LEU A 70 -6.636 -6.807 4.531 1.00 21.53 H new ATOM 0 HD13 LEU A 70 -7.368 -5.190 4.665 1.00 21.53 H new ATOM 0 HD21 LEU A 70 -6.418 -4.217 1.879 1.00 54.44 H new ATOM 0 HD22 LEU A 70 -6.274 -3.234 3.355 1.00 54.44 H new ATOM 0 HD23 LEU A 70 -4.831 -3.582 2.373 1.00 54.44 H new ATOM 1126 N ASN A 71 -2.071 -4.583 6.562 1.00 40.41 N ATOM 1127 CA ASN A 71 -1.444 -4.090 7.798 1.00 54.30 C ATOM 1128 C ASN A 71 -0.229 -3.197 7.496 1.00 43.04 C ATOM 1129 O ASN A 71 -0.127 -2.085 8.017 1.00 52.15 O ATOM 1130 CB ASN A 71 -1.030 -5.255 8.708 1.00 52.31 C ATOM 1131 CG ASN A 71 -2.222 -5.980 9.313 1.00 11.25 C ATOM 1132 OD1 ASN A 71 -3.282 -5.400 9.525 1.00 52.31 O ATOM 1133 ND2 ASN A 71 -2.051 -7.250 9.617 1.00 63.52 N ATOM 0 H ASN A 71 -2.055 -5.597 6.456 1.00 40.41 H new ATOM 0 HA ASN A 71 -2.188 -3.487 8.319 1.00 54.30 H new ATOM 0 HB2 ASN A 71 -0.432 -5.963 8.135 1.00 52.31 H new ATOM 0 HB3 ASN A 71 -0.395 -4.877 9.509 1.00 52.31 H new ATOM 0 HD21 ASN A 71 -2.812 -7.780 10.041 1.00 63.52 H new ATOM 0 HD22 ASN A 71 -1.157 -7.704 9.428 1.00 63.52 H new ATOM 1140 N GLN A 72 0.683 -3.677 6.649 1.00 60.34 N ATOM 1141 CA GLN A 72 1.856 -2.878 6.263 1.00 31.22 C ATOM 1142 C GLN A 72 1.429 -1.593 5.527 1.00 65.24 C ATOM 1143 O GLN A 72 2.011 -0.525 5.732 1.00 24.14 O ATOM 1144 CB GLN A 72 2.829 -3.708 5.405 1.00 72.34 C ATOM 1145 CG GLN A 72 2.240 -4.200 4.086 1.00 31.45 C ATOM 1146 CD GLN A 72 3.187 -5.089 3.288 1.00 41.51 C ATOM 1147 OE1 GLN A 72 3.158 -5.103 2.064 1.00 52.23 O ATOM 1148 NE2 GLN A 72 4.018 -5.856 3.966 1.00 32.31 N ATOM 0 H GLN A 72 0.638 -4.601 6.220 1.00 60.34 H new ATOM 0 HA GLN A 72 2.378 -2.585 7.174 1.00 31.22 H new ATOM 0 HB2 GLN A 72 3.712 -3.106 5.193 1.00 72.34 H new ATOM 0 HB3 GLN A 72 3.162 -4.569 5.984 1.00 72.34 H new ATOM 0 HG2 GLN A 72 1.323 -4.752 4.291 1.00 31.45 H new ATOM 0 HG3 GLN A 72 1.964 -3.339 3.477 1.00 31.45 H new ATOM 0 HE21 GLN A 72 4.023 -5.826 4.986 1.00 32.31 H new ATOM 0 HE22 GLN A 72 4.656 -6.479 3.471 1.00 32.31 H new ATOM 1157 N ALA A 73 0.396 -1.698 4.685 1.00 64.11 N ATOM 1158 CA ALA A 73 -0.176 -0.524 4.013 1.00 25.42 C ATOM 1159 C ALA A 73 -0.770 0.468 5.025 1.00 12.55 C ATOM 1160 O ALA A 73 -0.643 1.681 4.866 1.00 11.23 O ATOM 1161 CB ALA A 73 -1.238 -0.949 3.006 1.00 72.40 C ATOM 0 H ALA A 73 -0.061 -2.580 4.452 1.00 64.11 H new ATOM 0 HA ALA A 73 0.632 -0.020 3.483 1.00 25.42 H new ATOM 0 HB1 ALA A 73 -1.651 -0.066 2.518 1.00 72.40 H new ATOM 0 HB2 ALA A 73 -0.789 -1.601 2.257 1.00 72.40 H new ATOM 0 HB3 ALA A 73 -2.035 -1.484 3.522 1.00 72.40 H new ATOM 1167 N THR A 74 -1.412 -0.061 6.071 1.00 41.22 N ATOM 1168 CA THR A 74 -1.988 0.772 7.139 1.00 24.35 C ATOM 1169 C THR A 74 -0.926 1.688 7.755 1.00 32.24 C ATOM 1170 O THR A 74 -1.129 2.898 7.891 1.00 71.30 O ATOM 1171 CB THR A 74 -2.615 -0.084 8.276 1.00 62.45 C ATOM 1172 OG1 THR A 74 -3.678 -0.904 7.768 1.00 3.32 O ATOM 1173 CG2 THR A 74 -3.162 0.796 9.397 1.00 55.30 C ATOM 0 H THR A 74 -1.548 -1.063 6.204 1.00 41.22 H new ATOM 0 HA THR A 74 -2.771 1.368 6.670 1.00 24.35 H new ATOM 0 HB THR A 74 -1.823 -0.717 8.675 1.00 62.45 H new ATOM 0 HG1 THR A 74 -3.308 -1.582 7.164 1.00 3.32 H new ATOM 0 HG21 THR A 74 -3.593 0.167 10.176 1.00 55.30 H new ATOM 0 HG22 THR A 74 -2.353 1.393 9.819 1.00 55.30 H new ATOM 0 HG23 THR A 74 -3.931 1.458 8.998 1.00 55.30 H new ATOM 1181 N GLU A 75 0.211 1.102 8.126 1.00 15.44 N ATOM 1182 CA GLU A 75 1.316 1.866 8.709 1.00 61.04 C ATOM 1183 C GLU A 75 1.800 2.965 7.748 1.00 0.42 C ATOM 1184 O GLU A 75 1.964 4.112 8.150 1.00 14.11 O ATOM 1185 CB GLU A 75 2.482 0.941 9.076 1.00 50.32 C ATOM 1186 CG GLU A 75 2.137 -0.106 10.134 1.00 54.11 C ATOM 1187 CD GLU A 75 3.344 -0.902 10.615 1.00 13.33 C ATOM 1188 OE1 GLU A 75 4.462 -0.675 10.109 1.00 2.50 O ATOM 1189 OE2 GLU A 75 3.177 -1.751 11.521 1.00 62.24 O ATOM 0 H GLU A 75 0.393 0.102 8.034 1.00 15.44 H new ATOM 0 HA GLU A 75 0.944 2.342 9.617 1.00 61.04 H new ATOM 0 HB2 GLU A 75 2.826 0.432 8.175 1.00 50.32 H new ATOM 0 HB3 GLU A 75 3.313 1.547 9.437 1.00 50.32 H new ATOM 0 HG2 GLU A 75 1.675 0.390 10.988 1.00 54.11 H new ATOM 0 HG3 GLU A 75 1.397 -0.794 9.726 1.00 54.11 H new ATOM 1196 N VAL A 76 2.016 2.606 6.478 1.00 53.31 N ATOM 1197 CA VAL A 76 2.441 3.578 5.454 1.00 14.45 C ATOM 1198 C VAL A 76 1.467 4.769 5.364 1.00 1.32 C ATOM 1199 O VAL A 76 1.881 5.929 5.345 1.00 10.42 O ATOM 1200 CB VAL A 76 2.557 2.917 4.054 1.00 14.23 C ATOM 1201 CG1 VAL A 76 2.982 3.936 2.996 1.00 22.02 C ATOM 1202 CG2 VAL A 76 3.528 1.738 4.084 1.00 71.23 C ATOM 0 H VAL A 76 1.905 1.653 6.131 1.00 53.31 H new ATOM 0 HA VAL A 76 3.422 3.940 5.762 1.00 14.45 H new ATOM 0 HB VAL A 76 1.570 2.540 3.784 1.00 14.23 H new ATOM 0 HG11 VAL A 76 3.055 3.444 2.026 1.00 22.02 H new ATOM 0 HG12 VAL A 76 2.243 4.735 2.943 1.00 22.02 H new ATOM 0 HG13 VAL A 76 3.952 4.356 3.264 1.00 22.02 H new ATOM 0 HG21 VAL A 76 3.591 1.293 3.091 1.00 71.23 H new ATOM 0 HG22 VAL A 76 4.515 2.087 4.388 1.00 71.23 H new ATOM 0 HG23 VAL A 76 3.172 0.992 4.794 1.00 71.23 H new ATOM 1212 N ILE A 77 0.174 4.464 5.314 1.00 42.33 N ATOM 1213 CA ILE A 77 -0.873 5.493 5.243 1.00 31.40 C ATOM 1214 C ILE A 77 -0.838 6.440 6.459 1.00 15.54 C ATOM 1215 O ILE A 77 -0.791 7.664 6.306 1.00 4.43 O ATOM 1216 CB ILE A 77 -2.274 4.838 5.120 1.00 62.51 C ATOM 1217 CG1 ILE A 77 -2.392 4.083 3.783 1.00 11.15 C ATOM 1218 CG2 ILE A 77 -3.387 5.877 5.258 1.00 34.34 C ATOM 1219 CD1 ILE A 77 -3.714 3.367 3.595 1.00 30.42 C ATOM 0 H ILE A 77 -0.181 3.508 5.321 1.00 42.33 H new ATOM 0 HA ILE A 77 -0.676 6.090 4.353 1.00 31.40 H new ATOM 0 HB ILE A 77 -2.389 4.124 5.936 1.00 62.51 H new ATOM 0 HG12 ILE A 77 -2.254 4.790 2.965 1.00 11.15 H new ATOM 0 HG13 ILE A 77 -1.583 3.355 3.716 1.00 11.15 H new ATOM 0 HG21 ILE A 77 -4.356 5.386 5.167 1.00 34.34 H new ATOM 0 HG22 ILE A 77 -3.315 6.360 6.232 1.00 34.34 H new ATOM 0 HG23 ILE A 77 -3.285 6.626 4.473 1.00 34.34 H new ATOM 0 HD11 ILE A 77 -3.719 2.860 2.630 1.00 30.42 H new ATOM 0 HD12 ILE A 77 -3.847 2.634 4.391 1.00 30.42 H new ATOM 0 HD13 ILE A 77 -4.528 4.091 3.628 1.00 30.42 H new ATOM 1231 N ASN A 78 -0.848 5.874 7.666 1.00 71.31 N ATOM 1232 CA ASN A 78 -0.790 6.685 8.893 1.00 20.44 C ATOM 1233 C ASN A 78 0.582 7.359 9.060 1.00 60.30 C ATOM 1234 O ASN A 78 0.699 8.387 9.727 1.00 2.25 O ATOM 1235 CB ASN A 78 -1.120 5.836 10.127 1.00 62.32 C ATOM 1236 CG ASN A 78 -2.565 5.358 10.133 1.00 40.12 C ATOM 1237 OD1 ASN A 78 -3.463 6.058 10.589 1.00 22.42 O ATOM 1238 ND2 ASN A 78 -2.802 4.162 9.641 1.00 31.22 N ATOM 0 H ASN A 78 -0.895 4.868 7.825 1.00 71.31 H new ATOM 0 HA ASN A 78 -1.541 7.470 8.799 1.00 20.44 H new ATOM 0 HB2 ASN A 78 -0.455 4.973 10.160 1.00 62.32 H new ATOM 0 HB3 ASN A 78 -0.929 6.420 11.028 1.00 62.32 H new ATOM 0 HD21 ASN A 78 -3.753 3.794 9.632 1.00 31.22 H new ATOM 0 HD22 ASN A 78 -2.035 3.603 9.269 1.00 31.22 H new ATOM 1245 N PHE A 79 1.616 6.777 8.454 1.00 20.12 N ATOM 1246 CA PHE A 79 2.956 7.374 8.454 1.00 43.23 C ATOM 1247 C PHE A 79 2.963 8.666 7.627 1.00 11.54 C ATOM 1248 O PHE A 79 3.459 9.699 8.071 1.00 43.52 O ATOM 1249 CB PHE A 79 3.977 6.373 7.890 1.00 15.44 C ATOM 1250 CG PHE A 79 5.410 6.840 7.954 1.00 21.52 C ATOM 1251 CD1 PHE A 79 6.121 6.775 9.145 1.00 31.32 C ATOM 1252 CD2 PHE A 79 6.048 7.339 6.826 1.00 64.43 C ATOM 1253 CE1 PHE A 79 7.436 7.196 9.209 1.00 25.04 C ATOM 1254 CE2 PHE A 79 7.364 7.759 6.886 1.00 51.24 C ATOM 1255 CZ PHE A 79 8.059 7.689 8.079 1.00 24.25 C ATOM 0 H PHE A 79 1.554 5.890 7.955 1.00 20.12 H new ATOM 0 HA PHE A 79 3.233 7.618 9.480 1.00 43.23 H new ATOM 0 HB2 PHE A 79 3.889 5.435 8.438 1.00 15.44 H new ATOM 0 HB3 PHE A 79 3.723 6.160 6.852 1.00 15.44 H new ATOM 0 HD1 PHE A 79 5.640 6.391 10.033 1.00 31.32 H new ATOM 0 HD2 PHE A 79 5.510 7.400 5.891 1.00 64.43 H new ATOM 0 HE1 PHE A 79 7.976 7.139 10.142 1.00 25.04 H new ATOM 0 HE2 PHE A 79 7.849 8.142 6.000 1.00 51.24 H new ATOM 0 HZ PHE A 79 9.086 8.019 8.127 1.00 24.25 H new ATOM 1265 N TRP A 80 2.389 8.601 6.425 1.00 52.52 N ATOM 1266 CA TRP A 80 2.254 9.781 5.567 1.00 43.32 C ATOM 1267 C TRP A 80 1.412 10.867 6.260 1.00 24.44 C ATOM 1268 O TRP A 80 1.766 12.048 6.246 1.00 52.04 O ATOM 1269 CB TRP A 80 1.615 9.388 4.227 1.00 11.35 C ATOM 1270 CG TRP A 80 1.580 10.500 3.215 1.00 74.43 C ATOM 1271 CD1 TRP A 80 2.580 10.855 2.357 1.00 21.10 C ATOM 1272 CD2 TRP A 80 0.489 11.394 2.950 1.00 20.15 C ATOM 1273 NE1 TRP A 80 2.181 11.912 1.578 1.00 23.32 N ATOM 1274 CE2 TRP A 80 0.903 12.260 1.923 1.00 33.43 C ATOM 1275 CE3 TRP A 80 -0.795 11.544 3.481 1.00 73.42 C ATOM 1276 CZ2 TRP A 80 0.083 13.261 1.417 1.00 41.43 C ATOM 1277 CZ3 TRP A 80 -1.610 12.537 2.978 1.00 34.41 C ATOM 1278 CH2 TRP A 80 -1.168 13.385 1.953 1.00 73.10 C ATOM 0 H TRP A 80 2.010 7.744 6.023 1.00 52.52 H new ATOM 0 HA TRP A 80 3.248 10.187 5.381 1.00 43.32 H new ATOM 0 HB2 TRP A 80 2.165 8.546 3.807 1.00 11.35 H new ATOM 0 HB3 TRP A 80 0.597 9.044 4.409 1.00 11.35 H new ATOM 0 HD1 TRP A 80 3.545 10.374 2.299 1.00 21.10 H new ATOM 0 HE1 TRP A 80 2.745 12.365 0.859 1.00 23.32 H new ATOM 0 HE3 TRP A 80 -1.143 10.894 4.271 1.00 73.42 H new ATOM 0 HZ2 TRP A 80 0.422 13.917 0.629 1.00 41.43 H new ATOM 0 HZ3 TRP A 80 -2.604 12.663 3.380 1.00 34.41 H new ATOM 0 HH2 TRP A 80 -1.830 14.152 1.579 1.00 73.10 H new ATOM 1289 N GLN A 81 0.300 10.459 6.876 1.00 72.33 N ATOM 1290 CA GLN A 81 -0.554 11.389 7.626 1.00 73.34 C ATOM 1291 C GLN A 81 0.212 12.003 8.812 1.00 54.34 C ATOM 1292 O GLN A 81 0.064 13.189 9.113 1.00 22.15 O ATOM 1293 CB GLN A 81 -1.820 10.677 8.122 1.00 4.31 C ATOM 1294 CG GLN A 81 -2.831 11.608 8.791 1.00 15.11 C ATOM 1295 CD GLN A 81 -4.100 10.894 9.234 1.00 12.11 C ATOM 1296 OE1 GLN A 81 -4.507 9.897 8.649 1.00 50.31 O ATOM 1297 NE2 GLN A 81 -4.741 11.403 10.266 1.00 51.23 N ATOM 0 H GLN A 81 -0.031 9.494 6.872 1.00 72.33 H new ATOM 0 HA GLN A 81 -0.847 12.195 6.953 1.00 73.34 H new ATOM 0 HB2 GLN A 81 -2.300 10.181 7.279 1.00 4.31 H new ATOM 0 HB3 GLN A 81 -1.534 9.898 8.829 1.00 4.31 H new ATOM 0 HG2 GLN A 81 -2.365 12.078 9.657 1.00 15.11 H new ATOM 0 HG3 GLN A 81 -3.094 12.407 8.098 1.00 15.11 H new ATOM 0 HE21 GLN A 81 -4.378 12.234 10.733 1.00 51.23 H new ATOM 0 HE22 GLN A 81 -5.601 10.966 10.598 1.00 51.23 H new ATOM 1306 N ASP A 82 1.033 11.187 9.472 1.00 15.35 N ATOM 1307 CA ASP A 82 1.898 11.655 10.562 1.00 73.31 C ATOM 1308 C ASP A 82 2.825 12.780 10.070 1.00 74.42 C ATOM 1309 O ASP A 82 2.965 13.828 10.714 1.00 30.04 O ATOM 1310 CB ASP A 82 2.732 10.483 11.093 1.00 44.14 C ATOM 1311 CG ASP A 82 3.569 10.854 12.301 1.00 24.01 C ATOM 1312 OD1 ASP A 82 4.702 11.336 12.115 1.00 44.20 O ATOM 1313 OD2 ASP A 82 3.096 10.658 13.442 1.00 42.35 O ATOM 0 H ASP A 82 1.120 10.191 9.271 1.00 15.35 H new ATOM 0 HA ASP A 82 1.274 12.049 11.364 1.00 73.31 H new ATOM 0 HB2 ASP A 82 2.067 9.661 11.357 1.00 44.14 H new ATOM 0 HB3 ASP A 82 3.387 10.121 10.300 1.00 44.14 H new ATOM 1318 N LEU A 83 3.447 12.547 8.916 1.00 3.51 N ATOM 1319 CA LEU A 83 4.302 13.546 8.273 1.00 22.24 C ATOM 1320 C LEU A 83 3.510 14.817 7.941 1.00 33.24 C ATOM 1321 O LEU A 83 4.032 15.923 8.037 1.00 3.13 O ATOM 1322 CB LEU A 83 4.921 12.962 6.997 1.00 14.10 C ATOM 1323 CG LEU A 83 5.714 11.662 7.197 1.00 51.44 C ATOM 1324 CD1 LEU A 83 6.221 11.130 5.863 1.00 41.11 C ATOM 1325 CD2 LEU A 83 6.868 11.873 8.178 1.00 71.32 C ATOM 0 H LEU A 83 3.375 11.668 8.403 1.00 3.51 H new ATOM 0 HA LEU A 83 5.098 13.814 8.968 1.00 22.24 H new ATOM 0 HB2 LEU A 83 4.124 12.777 6.276 1.00 14.10 H new ATOM 0 HB3 LEU A 83 5.582 13.709 6.557 1.00 14.10 H new ATOM 0 HG LEU A 83 5.044 10.917 7.625 1.00 51.44 H new ATOM 0 HD11 LEU A 83 6.780 10.209 6.027 1.00 41.11 H new ATOM 0 HD12 LEU A 83 5.375 10.929 5.206 1.00 41.11 H new ATOM 0 HD13 LEU A 83 6.872 11.871 5.399 1.00 41.11 H new ATOM 0 HD21 LEU A 83 7.415 10.938 8.303 1.00 71.32 H new ATOM 0 HD22 LEU A 83 7.541 12.638 7.789 1.00 71.32 H new ATOM 0 HD23 LEU A 83 6.472 12.194 9.142 1.00 71.32 H new ATOM 1337 N LYS A 84 2.245 14.647 7.560 1.00 23.30 N ATOM 1338 CA LYS A 84 1.359 15.781 7.256 1.00 4.00 C ATOM 1339 C LYS A 84 1.034 16.608 8.510 1.00 25.41 C ATOM 1340 O LYS A 84 1.017 17.839 8.461 1.00 2.41 O ATOM 1341 CB LYS A 84 0.060 15.279 6.607 1.00 41.34 C ATOM 1342 CG LYS A 84 0.251 14.723 5.199 1.00 24.22 C ATOM 1343 CD LYS A 84 0.686 15.806 4.212 1.00 31.44 C ATOM 1344 CE LYS A 84 -0.371 16.896 4.076 1.00 32.12 C ATOM 1345 NZ LYS A 84 0.056 17.977 3.149 1.00 73.13 N ATOM 0 H LYS A 84 1.805 13.733 7.453 1.00 23.30 H new ATOM 0 HA LYS A 84 1.887 16.431 6.559 1.00 4.00 H new ATOM 0 HB2 LYS A 84 -0.375 14.504 7.238 1.00 41.34 H new ATOM 0 HB3 LYS A 84 -0.657 16.099 6.570 1.00 41.34 H new ATOM 0 HG2 LYS A 84 0.999 13.930 5.220 1.00 24.22 H new ATOM 0 HG3 LYS A 84 -0.681 14.273 4.857 1.00 24.22 H new ATOM 0 HD2 LYS A 84 1.625 16.248 4.546 1.00 31.44 H new ATOM 0 HD3 LYS A 84 0.874 15.357 3.237 1.00 31.44 H new ATOM 0 HE2 LYS A 84 -1.301 16.456 3.715 1.00 32.12 H new ATOM 0 HE3 LYS A 84 -0.580 17.322 5.057 1.00 32.12 H new ATOM 0 HZ1 LYS A 84 -0.692 18.696 3.086 1.00 73.13 H new ATOM 0 HZ2 LYS A 84 0.929 18.416 3.506 1.00 73.13 H new ATOM 0 HZ3 LYS A 84 0.231 17.576 2.205 1.00 73.13 H new ATOM 1359 N ASN A 85 0.774 15.929 9.625 1.00 34.44 N ATOM 1360 CA ASN A 85 0.483 16.603 10.897 1.00 11.21 C ATOM 1361 C ASN A 85 1.667 17.466 11.359 1.00 31.33 C ATOM 1362 O ASN A 85 1.485 18.571 11.875 1.00 62.01 O ATOM 1363 CB ASN A 85 0.148 15.572 11.984 1.00 12.30 C ATOM 1364 CG ASN A 85 -1.087 14.752 11.658 1.00 32.43 C ATOM 1365 OD1 ASN A 85 -1.995 15.213 10.975 1.00 52.31 O ATOM 1366 ND2 ASN A 85 -1.139 13.530 12.151 1.00 64.25 N ATOM 0 H ASN A 85 0.758 14.910 9.678 1.00 34.44 H new ATOM 0 HA ASN A 85 -0.376 17.254 10.734 1.00 11.21 H new ATOM 0 HB2 ASN A 85 0.998 14.903 12.117 1.00 12.30 H new ATOM 0 HB3 ASN A 85 -0.004 16.087 12.932 1.00 12.30 H new ATOM 0 HD21 ASN A 85 -1.951 12.940 11.967 1.00 64.25 H new ATOM 0 HD22 ASN A 85 -0.368 13.175 12.716 1.00 64.25 H new ATOM 1373 N GLN A 86 2.877 16.942 11.178 1.00 71.42 N ATOM 1374 CA GLN A 86 4.105 17.640 11.584 1.00 43.01 C ATOM 1375 C GLN A 86 4.723 18.441 10.423 1.00 52.43 C ATOM 1376 O GLN A 86 5.638 19.238 10.632 1.00 75.44 O ATOM 1377 CB GLN A 86 5.118 16.618 12.116 1.00 23.43 C ATOM 1378 CG GLN A 86 4.626 15.857 13.343 1.00 23.53 C ATOM 1379 CD GLN A 86 5.610 14.800 13.814 1.00 61.53 C ATOM 1380 OE1 GLN A 86 6.489 15.062 14.629 1.00 22.44 O ATOM 1381 NE2 GLN A 86 5.475 13.597 13.302 1.00 21.51 N ATOM 0 H GLN A 86 3.039 16.030 10.750 1.00 71.42 H new ATOM 0 HA GLN A 86 3.846 18.352 12.368 1.00 43.01 H new ATOM 0 HB2 GLN A 86 5.352 15.905 11.326 1.00 23.43 H new ATOM 0 HB3 GLN A 86 6.046 17.133 12.365 1.00 23.43 H new ATOM 0 HG2 GLN A 86 4.443 16.563 14.153 1.00 23.53 H new ATOM 0 HG3 GLN A 86 3.673 15.382 13.112 1.00 23.53 H new ATOM 0 HE21 GLN A 86 4.734 13.410 12.626 1.00 21.51 H new ATOM 0 HE22 GLN A 86 6.111 12.850 13.580 1.00 21.51 H new ATOM 1390 N ASN A 87 4.213 18.215 9.211 1.00 10.03 N ATOM 1391 CA ASN A 87 4.716 18.873 7.992 1.00 55.53 C ATOM 1392 C ASN A 87 6.198 18.544 7.736 1.00 33.35 C ATOM 1393 O ASN A 87 6.990 19.407 7.348 1.00 35.24 O ATOM 1394 CB ASN A 87 4.488 20.389 8.060 1.00 33.12 C ATOM 1395 CG ASN A 87 3.017 20.732 8.191 1.00 63.34 C ATOM 1396 OD1 ASN A 87 2.297 20.847 7.202 1.00 35.12 O ATOM 1397 ND2 ASN A 87 2.555 20.895 9.411 1.00 12.24 N ATOM 0 H ASN A 87 3.440 17.572 9.041 1.00 10.03 H new ATOM 0 HA ASN A 87 4.150 18.480 7.147 1.00 55.53 H new ATOM 0 HB2 ASN A 87 5.034 20.801 8.909 1.00 33.12 H new ATOM 0 HB3 ASN A 87 4.892 20.858 7.163 1.00 33.12 H new ATOM 0 HD21 ASN A 87 1.572 21.124 9.558 1.00 12.24 H new ATOM 0 HD22 ASN A 87 3.180 20.792 10.211 1.00 12.24 H new ATOM 1404 N LYS A 88 6.558 17.277 7.932 1.00 12.02 N ATOM 1405 CA LYS A 88 7.920 16.805 7.663 1.00 35.45 C ATOM 1406 C LYS A 88 8.154 16.610 6.158 1.00 25.04 C ATOM 1407 O LYS A 88 7.694 15.629 5.568 1.00 15.13 O ATOM 1408 CB LYS A 88 8.193 15.484 8.399 1.00 25.25 C ATOM 1409 CG LYS A 88 8.277 15.613 9.916 1.00 2.41 C ATOM 1410 CD LYS A 88 8.608 14.273 10.573 1.00 61.02 C ATOM 1411 CE LYS A 88 8.868 14.415 12.069 1.00 22.42 C ATOM 1412 NZ LYS A 88 10.017 15.317 12.355 1.00 45.42 N ATOM 0 H LYS A 88 5.925 16.555 8.277 1.00 12.02 H new ATOM 0 HA LYS A 88 8.607 17.568 8.028 1.00 35.45 H new ATOM 0 HB2 LYS A 88 7.404 14.774 8.150 1.00 25.25 H new ATOM 0 HB3 LYS A 88 9.128 15.063 8.030 1.00 25.25 H new ATOM 0 HG2 LYS A 88 9.039 16.347 10.178 1.00 2.41 H new ATOM 0 HG3 LYS A 88 7.329 15.986 10.304 1.00 2.41 H new ATOM 0 HD2 LYS A 88 7.783 13.578 10.413 1.00 61.02 H new ATOM 0 HD3 LYS A 88 9.486 13.841 10.092 1.00 61.02 H new ATOM 0 HE2 LYS A 88 7.974 14.802 12.557 1.00 22.42 H new ATOM 0 HE3 LYS A 88 9.064 13.432 12.497 1.00 22.42 H new ATOM 0 HZ1 LYS A 88 10.342 15.166 13.331 1.00 45.42 H new ATOM 0 HZ2 LYS A 88 10.794 15.109 11.696 1.00 45.42 H new ATOM 0 HZ3 LYS A 88 9.719 16.307 12.238 1.00 45.42 H new ATOM 1426 N GLN A 89 8.853 17.553 5.534 1.00 50.23 N ATOM 1427 CA GLN A 89 9.212 17.427 4.119 1.00 24.22 C ATOM 1428 C GLN A 89 10.348 16.412 3.938 1.00 5.44 C ATOM 1429 O GLN A 89 11.530 16.764 3.955 1.00 41.03 O ATOM 1430 CB GLN A 89 9.604 18.796 3.539 1.00 40.11 C ATOM 1431 CG GLN A 89 9.992 18.767 2.059 1.00 3.52 C ATOM 1432 CD GLN A 89 8.914 18.172 1.167 1.00 61.22 C ATOM 1433 OE1 GLN A 89 8.026 18.873 0.695 1.00 42.11 O ATOM 1434 NE2 GLN A 89 8.992 16.880 0.915 1.00 45.10 N ATOM 0 H GLN A 89 9.182 18.409 5.980 1.00 50.23 H new ATOM 0 HA GLN A 89 8.342 17.062 3.573 1.00 24.22 H new ATOM 0 HB2 GLN A 89 8.770 19.485 3.670 1.00 40.11 H new ATOM 0 HB3 GLN A 89 10.440 19.195 4.114 1.00 40.11 H new ATOM 0 HG2 GLN A 89 10.209 19.782 1.727 1.00 3.52 H new ATOM 0 HG3 GLN A 89 10.910 18.191 1.942 1.00 3.52 H new ATOM 0 HE21 GLN A 89 9.744 16.325 1.324 1.00 45.10 H new ATOM 0 HE22 GLN A 89 8.300 16.436 0.311 1.00 45.10 H new ATOM 1443 N ILE A 90 9.979 15.143 3.793 1.00 71.51 N ATOM 1444 CA ILE A 90 10.956 14.059 3.662 1.00 63.24 C ATOM 1445 C ILE A 90 11.015 13.490 2.236 1.00 64.03 C ATOM 1446 O ILE A 90 10.188 13.824 1.379 1.00 72.04 O ATOM 1447 CB ILE A 90 10.667 12.925 4.686 1.00 33.13 C ATOM 1448 CG1 ILE A 90 9.241 12.352 4.532 1.00 33.53 C ATOM 1449 CG2 ILE A 90 10.881 13.436 6.110 1.00 64.52 C ATOM 1450 CD1 ILE A 90 9.098 11.307 3.444 1.00 25.10 C ATOM 0 H ILE A 90 9.007 14.836 3.763 1.00 71.51 H new ATOM 0 HA ILE A 90 11.933 14.491 3.878 1.00 63.24 H new ATOM 0 HB ILE A 90 11.366 12.114 4.483 1.00 33.13 H new ATOM 0 HG12 ILE A 90 8.935 11.914 5.482 1.00 33.53 H new ATOM 0 HG13 ILE A 90 8.554 13.172 4.323 1.00 33.53 H new ATOM 0 HG21 ILE A 90 10.676 12.634 6.819 1.00 64.52 H new ATOM 0 HG22 ILE A 90 11.913 13.768 6.226 1.00 64.52 H new ATOM 0 HG23 ILE A 90 10.207 14.271 6.302 1.00 64.52 H new ATOM 0 HD11 ILE A 90 8.065 10.960 3.406 1.00 25.10 H new ATOM 0 HD12 ILE A 90 9.370 11.743 2.483 1.00 25.10 H new ATOM 0 HD13 ILE A 90 9.756 10.465 3.659 1.00 25.10 H new ATOM 1462 N SER A 91 12.003 12.634 1.988 1.00 71.03 N ATOM 1463 CA SER A 91 12.177 11.991 0.677 1.00 71.23 C ATOM 1464 C SER A 91 11.755 10.514 0.714 1.00 74.14 C ATOM 1465 O SER A 91 11.628 9.919 1.789 1.00 23.51 O ATOM 1466 CB SER A 91 13.641 12.083 0.232 1.00 62.54 C ATOM 1467 OG SER A 91 14.482 11.282 1.055 1.00 73.54 O ATOM 0 H SER A 91 12.703 12.365 2.680 1.00 71.03 H new ATOM 0 HA SER A 91 11.539 12.518 -0.033 1.00 71.23 H new ATOM 0 HB2 SER A 91 13.729 11.760 -0.805 1.00 62.54 H new ATOM 0 HB3 SER A 91 13.971 13.121 0.272 1.00 62.54 H new ATOM 0 HG SER A 91 15.409 11.358 0.747 1.00 73.54 H new ATOM 1473 N MET A 92 11.551 9.918 -0.464 1.00 42.25 N ATOM 1474 CA MET A 92 11.172 8.501 -0.560 1.00 23.24 C ATOM 1475 C MET A 92 12.222 7.587 0.103 1.00 60.31 C ATOM 1476 O MET A 92 11.892 6.525 0.636 1.00 54.44 O ATOM 1477 CB MET A 92 10.960 8.091 -2.028 1.00 75.12 C ATOM 1478 CG MET A 92 12.200 8.236 -2.905 1.00 20.44 C ATOM 1479 SD MET A 92 11.908 7.745 -4.619 1.00 42.10 S ATOM 1480 CE MET A 92 11.391 6.041 -4.410 1.00 42.23 C ATOM 0 H MET A 92 11.641 10.391 -1.363 1.00 42.25 H new ATOM 0 HA MET A 92 10.232 8.378 -0.022 1.00 23.24 H new ATOM 0 HB2 MET A 92 10.627 7.054 -2.059 1.00 75.12 H new ATOM 0 HB3 MET A 92 10.158 8.696 -2.450 1.00 75.12 H new ATOM 0 HG2 MET A 92 12.537 9.272 -2.881 1.00 20.44 H new ATOM 0 HG3 MET A 92 13.005 7.630 -2.490 1.00 20.44 H new ATOM 0 HE1 MET A 92 11.517 5.505 -5.351 1.00 42.23 H new ATOM 0 HE2 MET A 92 11.999 5.568 -3.639 1.00 42.23 H new ATOM 0 HE3 MET A 92 10.343 6.013 -4.113 1.00 42.23 H new ATOM 1490 N ALA A 93 13.485 8.012 0.076 1.00 64.31 N ATOM 1491 CA ALA A 93 14.576 7.259 0.710 1.00 61.24 C ATOM 1492 C ALA A 93 14.385 7.156 2.233 1.00 51.41 C ATOM 1493 O ALA A 93 14.798 6.179 2.859 1.00 24.34 O ATOM 1494 CB ALA A 93 15.918 7.907 0.391 1.00 30.30 C ATOM 0 H ALA A 93 13.782 8.876 -0.378 1.00 64.31 H new ATOM 0 HA ALA A 93 14.560 6.247 0.304 1.00 61.24 H new ATOM 0 HB1 ALA A 93 16.718 7.340 0.866 1.00 30.30 H new ATOM 0 HB2 ALA A 93 16.071 7.915 -0.688 1.00 30.30 H new ATOM 0 HB3 ALA A 93 15.926 8.930 0.766 1.00 30.30 H new ATOM 1500 N GLU A 94 13.761 8.173 2.825 1.00 73.25 N ATOM 1501 CA GLU A 94 13.491 8.185 4.265 1.00 54.51 C ATOM 1502 C GLU A 94 12.326 7.247 4.624 1.00 71.15 C ATOM 1503 O GLU A 94 12.304 6.650 5.702 1.00 73.15 O ATOM 1504 CB GLU A 94 13.209 9.618 4.732 1.00 63.04 C ATOM 1505 CG GLU A 94 14.371 10.572 4.466 1.00 50.04 C ATOM 1506 CD GLU A 94 14.144 11.964 5.034 1.00 1.10 C ATOM 1507 OE1 GLU A 94 14.184 12.112 6.273 1.00 3.23 O ATOM 1508 OE2 GLU A 94 13.945 12.914 4.246 1.00 10.04 O ATOM 0 H GLU A 94 13.432 9.002 2.330 1.00 73.25 H new ATOM 0 HA GLU A 94 14.375 7.815 4.785 1.00 54.51 H new ATOM 0 HB2 GLU A 94 12.318 9.990 4.227 1.00 63.04 H new ATOM 0 HB3 GLU A 94 12.990 9.610 5.800 1.00 63.04 H new ATOM 0 HG2 GLU A 94 15.281 10.155 4.897 1.00 50.04 H new ATOM 0 HG3 GLU A 94 14.532 10.647 3.391 1.00 50.04 H new ATOM 1515 N ALA A 95 11.366 7.113 3.708 1.00 32.34 N ATOM 1516 CA ALA A 95 10.252 6.172 3.885 1.00 12.10 C ATOM 1517 C ALA A 95 10.753 4.717 3.861 1.00 2.43 C ATOM 1518 O ALA A 95 10.313 3.880 4.654 1.00 5.20 O ATOM 1519 CB ALA A 95 9.195 6.398 2.808 1.00 23.34 C ATOM 0 H ALA A 95 11.335 7.642 2.836 1.00 32.34 H new ATOM 0 HA ALA A 95 9.799 6.353 4.860 1.00 12.10 H new ATOM 0 HB1 ALA A 95 8.375 5.694 2.950 1.00 23.34 H new ATOM 0 HB2 ALA A 95 8.815 7.417 2.879 1.00 23.34 H new ATOM 0 HB3 ALA A 95 9.639 6.244 1.824 1.00 23.34 H new ATOM 1525 N GLN A 96 11.688 4.430 2.951 1.00 70.52 N ATOM 1526 CA GLN A 96 12.349 3.116 2.890 1.00 12.41 C ATOM 1527 C GLN A 96 13.006 2.747 4.229 1.00 74.41 C ATOM 1528 O GLN A 96 13.103 1.569 4.578 1.00 65.42 O ATOM 1529 CB GLN A 96 13.406 3.099 1.774 1.00 55.31 C ATOM 1530 CG GLN A 96 12.830 2.885 0.377 1.00 11.15 C ATOM 1531 CD GLN A 96 12.247 1.490 0.198 1.00 44.04 C ATOM 1532 OE1 GLN A 96 12.705 0.526 0.805 1.00 54.32 O ATOM 1533 NE2 GLN A 96 11.245 1.368 -0.644 1.00 3.25 N ATOM 0 H GLN A 96 12.008 5.090 2.242 1.00 70.52 H new ATOM 0 HA GLN A 96 11.579 2.375 2.674 1.00 12.41 H new ATOM 0 HB2 GLN A 96 13.952 4.042 1.790 1.00 55.31 H new ATOM 0 HB3 GLN A 96 14.128 2.309 1.983 1.00 55.31 H new ATOM 0 HG2 GLN A 96 12.054 3.627 0.189 1.00 11.15 H new ATOM 0 HG3 GLN A 96 13.612 3.047 -0.365 1.00 11.15 H new ATOM 0 HE21 GLN A 96 10.887 2.188 -1.133 1.00 3.25 H new ATOM 0 HE22 GLN A 96 10.825 0.453 -0.808 1.00 3.25 H new ATOM 1542 N GLY A 97 13.446 3.762 4.973 1.00 54.44 N ATOM 1543 CA GLY A 97 14.070 3.537 6.275 1.00 54.34 C ATOM 1544 C GLY A 97 13.147 2.852 7.281 1.00 1.24 C ATOM 1545 O GLY A 97 13.608 2.259 8.257 1.00 53.23 O ATOM 0 H GLY A 97 13.382 4.742 4.698 1.00 54.44 H new ATOM 0 HA2 GLY A 97 14.964 2.928 6.141 1.00 54.34 H new ATOM 0 HA3 GLY A 97 14.395 4.494 6.684 1.00 54.34 H new ATOM 1549 N LYS A 98 11.836 2.938 7.049 1.00 11.43 N ATOM 1550 CA LYS A 98 10.850 2.285 7.918 1.00 21.03 C ATOM 1551 C LYS A 98 10.261 1.034 7.237 1.00 75.34 C ATOM 1552 O LYS A 98 10.044 0.008 7.886 1.00 22.43 O ATOM 1553 CB LYS A 98 9.728 3.283 8.285 1.00 33.44 C ATOM 1554 CG LYS A 98 9.014 2.998 9.616 1.00 24.43 C ATOM 1555 CD LYS A 98 8.234 1.680 9.611 1.00 25.13 C ATOM 1556 CE LYS A 98 7.521 1.430 10.938 1.00 51.10 C ATOM 1557 NZ LYS A 98 6.816 0.119 10.958 1.00 44.12 N ATOM 0 H LYS A 98 11.431 3.453 6.267 1.00 11.43 H new ATOM 0 HA LYS A 98 11.350 1.965 8.832 1.00 21.03 H new ATOM 0 HB2 LYS A 98 10.153 4.286 8.326 1.00 33.44 H new ATOM 0 HB3 LYS A 98 8.987 3.283 7.486 1.00 33.44 H new ATOM 0 HG2 LYS A 98 9.751 2.974 10.419 1.00 24.43 H new ATOM 0 HG3 LYS A 98 8.330 3.817 9.837 1.00 24.43 H new ATOM 0 HD2 LYS A 98 7.502 1.696 8.804 1.00 25.13 H new ATOM 0 HD3 LYS A 98 8.917 0.856 9.406 1.00 25.13 H new ATOM 0 HE2 LYS A 98 8.247 1.463 11.751 1.00 51.10 H new ATOM 0 HE3 LYS A 98 6.803 2.230 11.119 1.00 51.10 H new ATOM 0 HZ1 LYS A 98 6.776 -0.239 11.934 1.00 44.12 H new ATOM 0 HZ2 LYS A 98 5.849 0.239 10.594 1.00 44.12 H new ATOM 0 HZ3 LYS A 98 7.329 -0.560 10.361 1.00 44.12 H new ATOM 1571 N PHE A 99 10.012 1.114 5.927 1.00 21.13 N ATOM 1572 CA PHE A 99 9.336 0.024 5.199 1.00 24.43 C ATOM 1573 C PHE A 99 10.227 -0.590 4.099 1.00 2.41 C ATOM 1574 O PHE A 99 10.042 -0.314 2.913 1.00 11.41 O ATOM 1575 CB PHE A 99 8.032 0.545 4.576 1.00 73.22 C ATOM 1576 CG PHE A 99 7.106 1.204 5.567 1.00 45.35 C ATOM 1577 CD1 PHE A 99 6.300 0.439 6.397 1.00 44.22 C ATOM 1578 CD2 PHE A 99 7.046 2.587 5.671 1.00 50.53 C ATOM 1579 CE1 PHE A 99 5.452 1.040 7.306 1.00 74.21 C ATOM 1580 CE2 PHE A 99 6.199 3.192 6.580 1.00 43.32 C ATOM 1581 CZ PHE A 99 5.402 2.418 7.399 1.00 40.53 C ATOM 0 H PHE A 99 10.264 1.914 5.347 1.00 21.13 H new ATOM 0 HA PHE A 99 9.120 -0.763 5.922 1.00 24.43 H new ATOM 0 HB2 PHE A 99 8.276 1.259 3.790 1.00 73.22 H new ATOM 0 HB3 PHE A 99 7.510 -0.286 4.101 1.00 73.22 H new ATOM 0 HD1 PHE A 99 6.336 -0.638 6.332 1.00 44.22 H new ATOM 0 HD2 PHE A 99 7.669 3.197 5.034 1.00 50.53 H new ATOM 0 HE1 PHE A 99 4.827 0.433 7.945 1.00 74.21 H new ATOM 0 HE2 PHE A 99 6.161 4.269 6.649 1.00 43.32 H new ATOM 0 HZ PHE A 99 4.740 2.888 8.111 1.00 40.53 H new ATOM 1591 N PRO A 100 11.191 -1.456 4.472 1.00 32.40 N ATOM 1592 CA PRO A 100 12.102 -2.089 3.499 1.00 41.33 C ATOM 1593 C PRO A 100 11.402 -3.161 2.649 1.00 54.13 C ATOM 1594 O PRO A 100 11.837 -3.482 1.540 1.00 62.22 O ATOM 1595 CB PRO A 100 13.177 -2.718 4.393 1.00 43.43 C ATOM 1596 CG PRO A 100 12.472 -3.010 5.674 1.00 53.51 C ATOM 1597 CD PRO A 100 11.473 -1.895 5.854 1.00 31.20 C ATOM 0 HA PRO A 100 12.493 -1.375 2.774 1.00 41.33 H new ATOM 0 HB2 PRO A 100 13.583 -3.626 3.947 1.00 43.43 H new ATOM 0 HB3 PRO A 100 14.014 -2.037 4.547 1.00 43.43 H new ATOM 0 HG2 PRO A 100 11.974 -3.979 5.635 1.00 53.51 H new ATOM 0 HG3 PRO A 100 13.173 -3.045 6.508 1.00 53.51 H new ATOM 0 HD2 PRO A 100 10.570 -2.243 6.357 1.00 31.20 H new ATOM 0 HD3 PRO A 100 11.881 -1.084 6.457 1.00 31.20 H new ATOM 1605 N GLU A 101 10.313 -3.713 3.181 1.00 74.51 N ATOM 1606 CA GLU A 101 9.538 -4.740 2.486 1.00 32.11 C ATOM 1607 C GLU A 101 8.579 -4.126 1.452 1.00 40.53 C ATOM 1608 O GLU A 101 7.993 -4.842 0.635 1.00 15.50 O ATOM 1609 CB GLU A 101 8.748 -5.576 3.501 1.00 31.43 C ATOM 1610 CG GLU A 101 9.627 -6.278 4.535 1.00 10.41 C ATOM 1611 CD GLU A 101 8.834 -7.139 5.507 1.00 62.22 C ATOM 1612 OE1 GLU A 101 8.532 -8.301 5.166 1.00 52.12 O ATOM 1613 OE2 GLU A 101 8.520 -6.665 6.620 1.00 52.42 O ATOM 0 H GLU A 101 9.945 -3.464 4.099 1.00 74.51 H new ATOM 0 HA GLU A 101 10.239 -5.381 1.951 1.00 32.11 H new ATOM 0 HB2 GLU A 101 8.040 -4.929 4.018 1.00 31.43 H new ATOM 0 HB3 GLU A 101 8.164 -6.324 2.966 1.00 31.43 H new ATOM 0 HG2 GLU A 101 10.357 -6.902 4.019 1.00 10.41 H new ATOM 0 HG3 GLU A 101 10.187 -5.529 5.096 1.00 10.41 H new ATOM 1620 N VAL A 102 8.425 -2.802 1.487 1.00 74.14 N ATOM 1621 CA VAL A 102 7.515 -2.107 0.572 1.00 60.40 C ATOM 1622 C VAL A 102 8.281 -1.448 -0.588 1.00 23.14 C ATOM 1623 O VAL A 102 9.230 -0.691 -0.375 1.00 3.33 O ATOM 1624 CB VAL A 102 6.681 -1.033 1.317 1.00 23.33 C ATOM 1625 CG1 VAL A 102 5.735 -0.314 0.356 1.00 52.42 C ATOM 1626 CG2 VAL A 102 5.903 -1.666 2.474 1.00 24.22 C ATOM 0 H VAL A 102 8.917 -2.189 2.137 1.00 74.14 H new ATOM 0 HA VAL A 102 6.840 -2.859 0.164 1.00 60.40 H new ATOM 0 HB VAL A 102 7.367 -0.293 1.729 1.00 23.33 H new ATOM 0 HG11 VAL A 102 5.161 0.434 0.902 1.00 52.42 H new ATOM 0 HG12 VAL A 102 6.314 0.174 -0.428 1.00 52.42 H new ATOM 0 HG13 VAL A 102 5.054 -1.037 -0.093 1.00 52.42 H new ATOM 0 HG21 VAL A 102 5.323 -0.898 2.986 1.00 24.22 H new ATOM 0 HG22 VAL A 102 5.230 -2.430 2.085 1.00 24.22 H new ATOM 0 HG23 VAL A 102 6.601 -2.121 3.176 1.00 24.22 H new ATOM 1636 N VAL A 103 7.863 -1.732 -1.818 1.00 12.22 N ATOM 1637 CA VAL A 103 8.536 -1.191 -3.002 1.00 73.14 C ATOM 1638 C VAL A 103 7.955 0.178 -3.397 1.00 45.00 C ATOM 1639 O VAL A 103 6.866 0.268 -3.962 1.00 54.32 O ATOM 1640 CB VAL A 103 8.425 -2.169 -4.203 1.00 5.02 C ATOM 1641 CG1 VAL A 103 9.163 -1.625 -5.429 1.00 4.12 C ATOM 1642 CG2 VAL A 103 8.954 -3.550 -3.814 1.00 15.35 C ATOM 0 H VAL A 103 7.064 -2.332 -2.024 1.00 12.22 H new ATOM 0 HA VAL A 103 9.588 -1.064 -2.745 1.00 73.14 H new ATOM 0 HB VAL A 103 7.372 -2.265 -4.469 1.00 5.02 H new ATOM 0 HG11 VAL A 103 9.068 -2.331 -6.254 1.00 4.12 H new ATOM 0 HG12 VAL A 103 8.730 -0.668 -5.719 1.00 4.12 H new ATOM 0 HG13 VAL A 103 10.217 -1.488 -5.188 1.00 4.12 H new ATOM 0 HG21 VAL A 103 8.870 -4.225 -4.666 1.00 15.35 H new ATOM 0 HG22 VAL A 103 10.000 -3.469 -3.517 1.00 15.35 H new ATOM 0 HG23 VAL A 103 8.370 -3.942 -2.981 1.00 15.35 H new ATOM 1652 N PHE A 104 8.684 1.246 -3.086 1.00 53.42 N ATOM 1653 CA PHE A 104 8.250 2.600 -3.444 1.00 31.11 C ATOM 1654 C PHE A 104 8.614 2.928 -4.900 1.00 32.22 C ATOM 1655 O PHE A 104 9.789 2.929 -5.273 1.00 31.23 O ATOM 1656 CB PHE A 104 8.868 3.636 -2.490 1.00 52.12 C ATOM 1657 CG PHE A 104 8.265 3.620 -1.106 1.00 71.11 C ATOM 1658 CD1 PHE A 104 8.503 2.564 -0.241 1.00 4.44 C ATOM 1659 CD2 PHE A 104 7.463 4.665 -0.670 1.00 33.20 C ATOM 1660 CE1 PHE A 104 7.956 2.549 1.028 1.00 44.05 C ATOM 1661 CE2 PHE A 104 6.913 4.654 0.598 1.00 2.21 C ATOM 1662 CZ PHE A 104 7.159 3.596 1.448 1.00 63.21 C ATOM 0 H PHE A 104 9.574 1.205 -2.589 1.00 53.42 H new ATOM 0 HA PHE A 104 7.165 2.642 -3.347 1.00 31.11 H new ATOM 0 HB2 PHE A 104 9.940 3.452 -2.412 1.00 52.12 H new ATOM 0 HB3 PHE A 104 8.746 4.631 -2.919 1.00 52.12 H new ATOM 0 HD1 PHE A 104 9.124 1.741 -0.563 1.00 4.44 H new ATOM 0 HD2 PHE A 104 7.266 5.497 -1.330 1.00 33.20 H new ATOM 0 HE1 PHE A 104 8.152 1.719 1.691 1.00 44.05 H new ATOM 0 HE2 PHE A 104 6.290 5.474 0.923 1.00 2.21 H new ATOM 0 HZ PHE A 104 6.730 3.586 2.439 1.00 63.21 H new ATOM 1672 N SER A 105 7.597 3.200 -5.714 1.00 40.42 N ATOM 1673 CA SER A 105 7.793 3.495 -7.141 1.00 53.35 C ATOM 1674 C SER A 105 8.224 4.952 -7.348 1.00 53.32 C ATOM 1675 O SER A 105 7.552 5.877 -6.891 1.00 41.21 O ATOM 1676 CB SER A 105 6.500 3.222 -7.928 1.00 41.01 C ATOM 1677 OG SER A 105 6.666 3.477 -9.319 1.00 31.52 O ATOM 0 H SER A 105 6.623 3.224 -5.413 1.00 40.42 H new ATOM 0 HA SER A 105 8.584 2.842 -7.511 1.00 53.35 H new ATOM 0 HB2 SER A 105 6.197 2.185 -7.782 1.00 41.01 H new ATOM 0 HB3 SER A 105 5.697 3.847 -7.537 1.00 41.01 H new ATOM 0 HG SER A 105 5.826 3.292 -9.788 1.00 31.52 H new ATOM 1683 N GLY A 106 9.347 5.149 -8.040 1.00 11.54 N ATOM 1684 CA GLY A 106 9.859 6.496 -8.292 1.00 53.00 C ATOM 1685 C GLY A 106 10.069 6.783 -9.777 1.00 42.40 C ATOM 1686 O GLY A 106 9.413 6.186 -10.631 1.00 44.03 O ATOM 0 H GLY A 106 9.916 4.399 -8.433 1.00 11.54 H new ATOM 0 HA2 GLY A 106 9.163 7.227 -7.881 1.00 53.00 H new ATOM 0 HA3 GLY A 106 10.804 6.625 -7.765 1.00 53.00 H new ATOM 1690 N SER A 107 10.984 7.700 -10.088 1.00 63.41 N ATOM 1691 CA SER A 107 11.233 8.105 -11.481 1.00 62.50 C ATOM 1692 C SER A 107 12.631 7.677 -11.959 1.00 34.35 C ATOM 1693 O SER A 107 13.628 8.348 -11.683 1.00 34.22 O ATOM 1694 CB SER A 107 11.073 9.628 -11.625 1.00 1.01 C ATOM 1695 OG SER A 107 11.941 10.323 -10.741 1.00 34.44 O ATOM 0 H SER A 107 11.566 8.178 -9.401 1.00 63.41 H new ATOM 0 HA SER A 107 10.498 7.600 -12.108 1.00 62.50 H new ATOM 0 HB2 SER A 107 11.285 9.923 -12.653 1.00 1.01 H new ATOM 0 HB3 SER A 107 10.040 9.909 -11.419 1.00 1.01 H new ATOM 0 HG SER A 107 12.814 9.878 -10.722 1.00 34.44 H new ATOM 1701 N ASN A 108 12.699 6.546 -12.661 1.00 65.15 N ATOM 1702 CA ASN A 108 13.956 6.075 -13.258 1.00 35.41 C ATOM 1703 C ASN A 108 14.131 6.649 -14.675 1.00 33.10 C ATOM 1704 O ASN A 108 15.251 6.880 -15.134 1.00 70.43 O ATOM 1705 CB ASN A 108 13.981 4.541 -13.292 1.00 13.42 C ATOM 1706 CG ASN A 108 15.352 3.984 -13.638 1.00 40.13 C ATOM 1707 OD1 ASN A 108 16.375 4.606 -13.367 1.00 51.34 O ATOM 1708 ND2 ASN A 108 15.389 2.800 -14.215 1.00 72.13 N ATOM 0 H ASN A 108 11.900 5.936 -12.832 1.00 65.15 H new ATOM 0 HA ASN A 108 14.786 6.425 -12.644 1.00 35.41 H new ATOM 0 HB2 ASN A 108 13.671 4.155 -12.321 1.00 13.42 H new ATOM 0 HB3 ASN A 108 13.254 4.186 -14.023 1.00 13.42 H new ATOM 0 HD21 ASN A 108 16.286 2.375 -14.449 1.00 72.13 H new ATOM 0 HD22 ASN A 108 14.521 2.309 -14.427 1.00 72.13 H new ATOM 1715 N LEU A 109 13.011 6.873 -15.364 1.00 43.35 N ATOM 1716 CA LEU A 109 13.013 7.535 -16.676 1.00 23.13 C ATOM 1717 C LEU A 109 12.028 8.721 -16.696 1.00 24.34 C ATOM 1718 O LEU A 109 11.086 8.773 -15.899 1.00 12.40 O ATOM 1719 CB LEU A 109 12.724 6.537 -17.833 1.00 34.00 C ATOM 1720 CG LEU A 109 11.588 5.494 -17.647 1.00 51.13 C ATOM 1721 CD1 LEU A 109 11.953 4.443 -16.600 1.00 3.13 C ATOM 1722 CD2 LEU A 109 10.256 6.153 -17.302 1.00 71.10 C ATOM 0 H LEU A 109 12.083 6.605 -15.035 1.00 43.35 H new ATOM 0 HA LEU A 109 14.016 7.927 -16.841 1.00 23.13 H new ATOM 0 HB2 LEU A 109 12.495 7.121 -18.725 1.00 34.00 H new ATOM 0 HB3 LEU A 109 13.645 5.991 -18.037 1.00 34.00 H new ATOM 0 HG LEU A 109 11.470 4.990 -18.607 1.00 51.13 H new ATOM 0 HD11 LEU A 109 11.134 3.731 -16.498 1.00 3.13 H new ATOM 0 HD12 LEU A 109 12.855 3.916 -16.912 1.00 3.13 H new ATOM 0 HD13 LEU A 109 12.131 4.931 -15.642 1.00 3.13 H new ATOM 0 HD21 LEU A 109 9.491 5.386 -17.181 1.00 71.10 H new ATOM 0 HD22 LEU A 109 10.357 6.714 -16.373 1.00 71.10 H new ATOM 0 HD23 LEU A 109 9.967 6.831 -18.105 1.00 71.10 H new ATOM 1734 N GLU A 110 12.233 9.667 -17.610 1.00 1.14 N ATOM 1735 CA GLU A 110 11.433 10.899 -17.633 1.00 72.41 C ATOM 1736 C GLU A 110 10.081 10.707 -18.348 1.00 12.40 C ATOM 1737 O GLU A 110 9.807 11.329 -19.375 1.00 23.41 O ATOM 1738 CB GLU A 110 12.230 12.040 -18.289 1.00 0.15 C ATOM 1739 CG GLU A 110 13.568 12.326 -17.607 1.00 12.52 C ATOM 1740 CD GLU A 110 14.263 13.560 -18.163 1.00 53.11 C ATOM 1741 OE1 GLU A 110 14.675 13.542 -19.341 1.00 12.23 O ATOM 1742 OE2 GLU A 110 14.407 14.555 -17.419 1.00 32.11 O ATOM 0 H GLU A 110 12.941 9.609 -18.342 1.00 1.14 H new ATOM 0 HA GLU A 110 11.214 11.161 -16.598 1.00 72.41 H new ATOM 0 HB2 GLU A 110 12.411 11.790 -19.334 1.00 0.15 H new ATOM 0 HB3 GLU A 110 11.625 12.947 -18.278 1.00 0.15 H new ATOM 0 HG2 GLU A 110 13.404 12.458 -16.538 1.00 12.52 H new ATOM 0 HG3 GLU A 110 14.222 11.462 -17.725 1.00 12.52 H new ATOM 1749 N HIS A 111 9.237 9.830 -17.801 1.00 33.33 N ATOM 1750 CA HIS A 111 7.864 9.654 -18.298 1.00 21.44 C ATOM 1751 C HIS A 111 6.844 9.809 -17.160 1.00 50.35 C ATOM 1752 O HIS A 111 6.686 8.916 -16.325 1.00 55.52 O ATOM 1753 CB HIS A 111 7.687 8.286 -18.978 1.00 1.55 C ATOM 1754 CG HIS A 111 8.346 8.180 -20.320 1.00 14.50 C ATOM 1755 ND1 HIS A 111 8.763 6.984 -20.863 1.00 13.10 N ATOM 1756 CD2 HIS A 111 8.625 9.125 -21.251 1.00 62.43 C ATOM 1757 CE1 HIS A 111 9.268 7.196 -22.060 1.00 13.01 C ATOM 1758 NE2 HIS A 111 9.197 8.483 -22.317 1.00 40.11 N ATOM 0 H HIS A 111 9.477 9.228 -17.013 1.00 33.33 H new ATOM 0 HA HIS A 111 7.684 10.433 -19.039 1.00 21.44 H new ATOM 0 HB2 HIS A 111 8.091 7.513 -18.325 1.00 1.55 H new ATOM 0 HB3 HIS A 111 6.622 8.084 -19.091 1.00 1.55 H new ATOM 0 HD2 HIS A 111 8.433 10.184 -21.168 1.00 62.43 H new ATOM 0 HE1 HIS A 111 9.672 6.441 -22.719 1.00 13.01 H new ATOM 0 HE2 HIS A 111 9.517 8.933 -23.175 1.00 40.11 H new ATOM 1767 N HIS A 112 6.175 10.959 -17.114 1.00 70.41 N ATOM 1768 CA HIS A 112 5.118 11.206 -16.127 1.00 34.44 C ATOM 1769 C HIS A 112 3.778 11.468 -16.831 1.00 23.21 C ATOM 1770 O HIS A 112 3.725 12.155 -17.850 1.00 54.53 O ATOM 1771 CB HIS A 112 5.476 12.406 -15.234 1.00 33.22 C ATOM 1772 CG HIS A 112 6.834 12.314 -14.597 1.00 24.25 C ATOM 1773 ND1 HIS A 112 7.031 11.942 -13.281 1.00 14.01 N ATOM 1774 CD2 HIS A 112 8.070 12.558 -15.100 1.00 71.12 C ATOM 1775 CE1 HIS A 112 8.320 11.964 -13.007 1.00 64.12 C ATOM 1776 NE2 HIS A 112 8.971 12.332 -14.089 1.00 25.44 N ATOM 0 H HIS A 112 6.344 11.739 -17.749 1.00 70.41 H new ATOM 0 HA HIS A 112 5.026 10.318 -15.502 1.00 34.44 H new ATOM 0 HB2 HIS A 112 5.428 13.317 -15.831 1.00 33.22 H new ATOM 0 HB3 HIS A 112 4.724 12.499 -14.450 1.00 33.22 H new ATOM 0 HD2 HIS A 112 8.302 12.871 -16.107 1.00 71.12 H new ATOM 0 HE1 HIS A 112 8.767 11.721 -12.054 1.00 64.12 H new ATOM 0 HE2 HIS A 112 9.983 12.433 -14.165 1.00 25.44 H new ATOM 1785 N HIS A 113 2.699 10.914 -16.292 1.00 13.22 N ATOM 1786 CA HIS A 113 1.359 11.137 -16.846 1.00 2.30 C ATOM 1787 C HIS A 113 0.375 11.565 -15.745 1.00 70.44 C ATOM 1788 O HIS A 113 0.183 10.851 -14.763 1.00 42.22 O ATOM 1789 CB HIS A 113 0.859 9.877 -17.583 1.00 35.53 C ATOM 1790 CG HIS A 113 1.013 8.599 -16.809 1.00 20.44 C ATOM 1791 ND1 HIS A 113 2.034 7.698 -17.039 1.00 74.42 N ATOM 1792 CD2 HIS A 113 0.266 8.065 -15.813 1.00 42.12 C ATOM 1793 CE1 HIS A 113 1.908 6.675 -16.219 1.00 33.25 C ATOM 1794 NE2 HIS A 113 0.848 6.872 -15.466 1.00 52.53 N ATOM 0 H HIS A 113 2.720 10.307 -15.473 1.00 13.22 H new ATOM 0 HA HIS A 113 1.419 11.949 -17.571 1.00 2.30 H new ATOM 0 HB2 HIS A 113 -0.194 10.011 -17.832 1.00 35.53 H new ATOM 0 HB3 HIS A 113 1.400 9.784 -18.525 1.00 35.53 H new ATOM 0 HD2 HIS A 113 -0.621 8.497 -15.374 1.00 42.12 H new ATOM 0 HE1 HIS A 113 2.565 5.819 -16.173 1.00 33.25 H new ATOM 0 HE2 HIS A 113 0.512 6.239 -14.740 1.00 52.53 H new ATOM 1803 N HIS A 114 -0.238 12.737 -15.917 1.00 10.21 N ATOM 1804 CA HIS A 114 -1.131 13.318 -14.898 1.00 33.22 C ATOM 1805 C HIS A 114 -2.350 12.416 -14.628 1.00 21.22 C ATOM 1806 O HIS A 114 -2.770 12.246 -13.483 1.00 33.31 O ATOM 1807 CB HIS A 114 -1.591 14.710 -15.338 1.00 74.04 C ATOM 1808 CG HIS A 114 -0.459 15.602 -15.754 1.00 63.02 C ATOM 1809 ND1 HIS A 114 0.487 16.087 -14.877 1.00 25.23 N ATOM 1810 CD2 HIS A 114 -0.107 16.076 -16.973 1.00 32.34 C ATOM 1811 CE1 HIS A 114 1.366 16.815 -15.536 1.00 14.41 C ATOM 1812 NE2 HIS A 114 1.029 16.827 -16.805 1.00 14.32 N ATOM 0 H HIS A 114 -0.135 13.310 -16.755 1.00 10.21 H new ATOM 0 HA HIS A 114 -0.568 13.399 -13.968 1.00 33.22 H new ATOM 0 HB2 HIS A 114 -2.290 14.609 -16.169 1.00 74.04 H new ATOM 0 HB3 HIS A 114 -2.135 15.182 -14.519 1.00 74.04 H new ATOM 0 HD2 HIS A 114 -0.624 15.896 -17.904 1.00 32.34 H new ATOM 0 HE1 HIS A 114 2.220 17.317 -15.105 1.00 14.41 H new ATOM 0 HE2 HIS A 114 1.531 17.316 -17.546 1.00 14.32 H new ATOM 1821 N HIS A 115 -2.919 11.858 -15.698 1.00 63.11 N ATOM 1822 CA HIS A 115 -3.970 10.839 -15.582 1.00 73.53 C ATOM 1823 C HIS A 115 -3.529 9.555 -16.301 1.00 31.30 C ATOM 1824 O HIS A 115 -2.648 9.598 -17.162 1.00 61.32 O ATOM 1825 CB HIS A 115 -5.310 11.355 -16.152 1.00 3.24 C ATOM 1826 CG HIS A 115 -5.270 11.727 -17.608 1.00 35.33 C ATOM 1827 ND1 HIS A 115 -5.337 13.028 -18.058 1.00 10.32 N ATOM 1828 CD2 HIS A 115 -5.188 10.958 -18.722 1.00 50.14 C ATOM 1829 CE1 HIS A 115 -5.303 13.044 -19.374 1.00 71.44 C ATOM 1830 NE2 HIS A 115 -5.211 11.804 -19.803 1.00 42.40 N ATOM 0 H HIS A 115 -2.670 12.094 -16.659 1.00 63.11 H new ATOM 0 HA HIS A 115 -4.126 10.618 -14.526 1.00 73.53 H new ATOM 0 HB2 HIS A 115 -6.071 10.588 -16.008 1.00 3.24 H new ATOM 0 HB3 HIS A 115 -5.623 12.226 -15.577 1.00 3.24 H new ATOM 0 HD2 HIS A 115 -5.118 9.881 -18.753 1.00 50.14 H new ATOM 0 HE1 HIS A 115 -5.344 13.926 -19.996 1.00 71.44 H new ATOM 0 HE2 HIS A 115 -5.164 11.517 -20.781 1.00 42.40 H new ATOM 1839 N HIS A 116 -4.124 8.418 -15.951 1.00 64.30 N ATOM 1840 CA HIS A 116 -3.755 7.140 -16.581 1.00 12.14 C ATOM 1841 C HIS A 116 -4.697 6.788 -17.756 1.00 52.41 C ATOM 1842 O HIS A 116 -5.911 6.591 -17.525 1.00 38.46 O ATOM 1843 CB HIS A 116 -3.696 6.003 -15.540 1.00 40.33 C ATOM 1844 CG HIS A 116 -5.000 5.646 -14.884 1.00 62.42 C ATOM 1845 ND1 HIS A 116 -5.569 6.380 -13.865 1.00 74.34 N ATOM 1846 CD2 HIS A 116 -5.838 4.601 -15.093 1.00 33.44 C ATOM 1847 CE1 HIS A 116 -6.690 5.805 -13.481 1.00 31.32 C ATOM 1848 NE2 HIS A 116 -6.876 4.727 -14.208 1.00 43.43 N ATOM 1849 OXT HIS A 116 -4.212 6.717 -18.908 1.00 38.46 O ATOM 0 H HIS A 116 -4.856 8.348 -15.244 1.00 64.30 H new ATOM 0 HA HIS A 116 -2.755 7.257 -16.999 1.00 12.14 H new ATOM 0 HB2 HIS A 116 -3.300 5.111 -16.026 1.00 40.33 H new ATOM 0 HB3 HIS A 116 -2.985 6.284 -14.763 1.00 40.33 H new ATOM 0 HD2 HIS A 116 -5.711 3.815 -15.822 1.00 33.44 H new ATOM 0 HE1 HIS A 116 -7.346 6.160 -12.700 1.00 31.32 H new ATOM 0 HE2 HIS A 116 -7.666 4.087 -14.127 1.00 43.43 H new TER 1858 HIS A 116