USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 92:sc= 1.04 USER MOD Set 1.2: A 65 SER OG : rot -170:sc= 1.1 USER MOD Set 1.3: A 74 GLN : amide:sc= -2.55 K(o=-0.41,f=-0.98!) USER MOD Single : A 1 MET CE :methyl -153:sc=-0.00355 (180deg=-0.269) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.23) USER MOD Single : A 7 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.062) USER MOD Single : A 13 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.6!) USER MOD Single : A 14 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.58) USER MOD Single : A 17 LYS NZ :NH3+ -144:sc= 0.467 (180deg=-1.43!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.179 USER MOD Single : A 22 THR OG1 : rot -94:sc= 0.425 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -164:sc= -2.93 (180deg=-4.17!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.0092) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.172 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0629 (180deg=-0.331) USER MOD Single : A 59 ASN : amide:sc= -0.447 K(o=-0.45,f=-7.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.842 K(o=-0.84,f=-0.057) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0176 (180deg=-0.183) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 82:sc= 0.0931 USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= -0.257 (180deg=-0.506) USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00432) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.67 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 0.574 (180deg=-1) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.080 -2.375 12.270 1.00 0.00 N ATOM 2 CA MET A 1 -15.835 -2.900 11.639 1.00 52.33 C ATOM 3 C MET A 1 -16.119 -4.192 10.851 1.00 52.24 C ATOM 4 O MET A 1 -16.213 -5.279 11.429 1.00 30.34 O ATOM 5 CB MET A 1 -14.772 -3.154 12.718 1.00 42.23 C ATOM 6 CG MET A 1 -13.412 -3.557 12.171 1.00 4.35 C ATOM 7 SD MET A 1 -12.717 -2.312 11.068 1.00 24.02 S ATOM 8 CE MET A 1 -11.090 -2.998 10.769 1.00 42.35 C ATOM 0 H1 MET A 1 -16.862 -1.504 12.795 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.783 -2.168 11.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.465 -3.087 12.924 1.00 0.00 H new ATOM 0 HA MET A 1 -15.461 -2.154 10.937 1.00 52.33 H new ATOM 0 HB2 MET A 1 -14.657 -2.251 13.318 1.00 42.23 H new ATOM 0 HB3 MET A 1 -15.129 -3.938 13.386 1.00 42.23 H new ATOM 0 HG2 MET A 1 -12.726 -3.727 13.001 1.00 4.35 H new ATOM 0 HG3 MET A 1 -13.505 -4.502 11.635 1.00 4.35 H new ATOM 0 HE1 MET A 1 -10.393 -2.193 10.535 1.00 42.35 H new ATOM 0 HE2 MET A 1 -10.749 -3.527 11.659 1.00 42.35 H new ATOM 0 HE3 MET A 1 -11.136 -3.692 9.930 1.00 42.35 H new ATOM 20 N ASP A 2 -16.261 -4.064 9.533 1.00 51.12 N ATOM 21 CA ASP A 2 -16.637 -5.197 8.671 1.00 51.21 C ATOM 22 C ASP A 2 -15.484 -6.186 8.455 1.00 13.34 C ATOM 23 O ASP A 2 -14.308 -5.821 8.547 1.00 53.14 O ATOM 24 CB ASP A 2 -17.120 -4.674 7.316 1.00 5.30 C ATOM 25 CG ASP A 2 -18.297 -3.733 7.461 1.00 74.33 C ATOM 26 OD1 ASP A 2 -18.080 -2.562 7.830 1.00 40.32 O ATOM 27 OD2 ASP A 2 -19.446 -4.161 7.230 1.00 40.25 O ATOM 0 H ASP A 2 -16.122 -3.187 9.032 1.00 51.12 H new ATOM 0 HA ASP A 2 -17.436 -5.736 9.180 1.00 51.21 H new ATOM 0 HB2 ASP A 2 -16.302 -4.158 6.814 1.00 5.30 H new ATOM 0 HB3 ASP A 2 -17.403 -5.515 6.682 1.00 5.30 H new ATOM 32 N GLN A 3 -15.835 -7.441 8.152 1.00 21.23 N ATOM 33 CA GLN A 3 -14.842 -8.471 7.820 1.00 62.02 C ATOM 34 C GLN A 3 -13.917 -8.011 6.688 1.00 13.41 C ATOM 35 O GLN A 3 -12.717 -8.252 6.731 1.00 55.11 O ATOM 36 CB GLN A 3 -15.530 -9.791 7.429 1.00 14.14 C ATOM 37 CG GLN A 3 -16.067 -10.588 8.612 1.00 72.32 C ATOM 38 CD GLN A 3 -14.962 -11.094 9.525 1.00 40.33 C ATOM 39 OE1 GLN A 3 -14.438 -12.188 9.344 1.00 13.52 O ATOM 40 NE2 GLN A 3 -14.590 -10.302 10.508 1.00 41.24 N ATOM 0 H GLN A 3 -16.801 -7.769 8.130 1.00 21.23 H new ATOM 0 HA GLN A 3 -14.238 -8.638 8.712 1.00 62.02 H new ATOM 0 HB2 GLN A 3 -16.353 -9.572 6.749 1.00 14.14 H new ATOM 0 HB3 GLN A 3 -14.820 -10.410 6.880 1.00 14.14 H new ATOM 0 HG2 GLN A 3 -16.750 -9.963 9.187 1.00 72.32 H new ATOM 0 HG3 GLN A 3 -16.645 -11.435 8.242 1.00 72.32 H new ATOM 0 HE21 GLN A 3 -15.044 -9.397 10.634 1.00 41.24 H new ATOM 0 HE22 GLN A 3 -13.847 -10.593 11.144 1.00 41.24 H new ATOM 49 N PHE A 4 -14.479 -7.336 5.686 1.00 24.30 N ATOM 50 CA PHE A 4 -13.684 -6.792 4.579 1.00 23.31 C ATOM 51 C PHE A 4 -12.494 -5.981 5.101 1.00 2.53 C ATOM 52 O PHE A 4 -11.344 -6.232 4.738 1.00 24.45 O ATOM 53 CB PHE A 4 -14.559 -5.909 3.678 1.00 53.52 C ATOM 54 CG PHE A 4 -13.777 -5.167 2.621 1.00 31.40 C ATOM 55 CD1 PHE A 4 -13.192 -5.852 1.566 1.00 60.22 C ATOM 56 CD2 PHE A 4 -13.618 -3.788 2.685 1.00 23.13 C ATOM 57 CE1 PHE A 4 -12.470 -5.182 0.600 1.00 54.10 C ATOM 58 CE2 PHE A 4 -12.896 -3.113 1.720 1.00 12.21 C ATOM 59 CZ PHE A 4 -12.321 -3.812 0.676 1.00 61.42 C ATOM 0 H PHE A 4 -15.480 -7.152 5.615 1.00 24.30 H new ATOM 0 HA PHE A 4 -13.301 -7.631 3.998 1.00 23.31 H new ATOM 0 HB2 PHE A 4 -15.311 -6.531 3.193 1.00 53.52 H new ATOM 0 HB3 PHE A 4 -15.093 -5.188 4.297 1.00 53.52 H new ATOM 0 HD1 PHE A 4 -13.303 -6.924 1.500 1.00 60.22 H new ATOM 0 HD2 PHE A 4 -14.065 -3.237 3.500 1.00 23.13 H new ATOM 0 HE1 PHE A 4 -12.021 -5.730 -0.216 1.00 54.10 H new ATOM 0 HE2 PHE A 4 -12.781 -2.041 1.781 1.00 12.21 H new ATOM 0 HZ PHE A 4 -11.756 -3.287 -0.080 1.00 61.42 H new ATOM 69 N LEU A 5 -12.787 -5.021 5.969 1.00 65.05 N ATOM 70 CA LEU A 5 -11.761 -4.158 6.560 1.00 43.22 C ATOM 71 C LEU A 5 -10.753 -4.976 7.380 1.00 21.51 C ATOM 72 O LEU A 5 -9.542 -4.803 7.250 1.00 35.41 O ATOM 73 CB LEU A 5 -12.431 -3.104 7.451 1.00 15.10 C ATOM 74 CG LEU A 5 -13.519 -2.267 6.761 1.00 62.02 C ATOM 75 CD1 LEU A 5 -14.209 -1.351 7.763 1.00 61.40 C ATOM 76 CD2 LEU A 5 -12.935 -1.463 5.600 1.00 24.04 C ATOM 0 H LEU A 5 -13.735 -4.816 6.284 1.00 65.05 H new ATOM 0 HA LEU A 5 -11.217 -3.666 5.754 1.00 43.22 H new ATOM 0 HB2 LEU A 5 -12.871 -3.605 8.313 1.00 15.10 H new ATOM 0 HB3 LEU A 5 -11.663 -2.431 7.832 1.00 15.10 H new ATOM 0 HG LEU A 5 -14.265 -2.949 6.354 1.00 62.02 H new ATOM 0 HD11 LEU A 5 -14.976 -0.767 7.254 1.00 61.40 H new ATOM 0 HD12 LEU A 5 -14.671 -1.951 8.547 1.00 61.40 H new ATOM 0 HD13 LEU A 5 -13.475 -0.678 8.206 1.00 61.40 H new ATOM 0 HD21 LEU A 5 -13.725 -0.879 5.128 1.00 24.04 H new ATOM 0 HD22 LEU A 5 -12.162 -0.792 5.975 1.00 24.04 H new ATOM 0 HD23 LEU A 5 -12.501 -2.144 4.868 1.00 24.04 H new ATOM 88 N VAL A 6 -11.269 -5.876 8.215 1.00 54.22 N ATOM 89 CA VAL A 6 -10.426 -6.723 9.065 1.00 2.35 C ATOM 90 C VAL A 6 -9.476 -7.606 8.234 1.00 40.52 C ATOM 91 O VAL A 6 -8.288 -7.711 8.540 1.00 43.45 O ATOM 92 CB VAL A 6 -11.289 -7.629 9.986 1.00 62.12 C ATOM 93 CG1 VAL A 6 -10.410 -8.503 10.882 1.00 21.33 C ATOM 94 CG2 VAL A 6 -12.248 -6.785 10.827 1.00 21.13 C ATOM 0 H VAL A 6 -12.270 -6.040 8.323 1.00 54.22 H new ATOM 0 HA VAL A 6 -9.828 -6.049 9.678 1.00 2.35 H new ATOM 0 HB VAL A 6 -11.879 -8.289 9.350 1.00 62.12 H new ATOM 0 HG11 VAL A 6 -11.042 -9.126 11.515 1.00 21.33 H new ATOM 0 HG12 VAL A 6 -9.778 -9.139 10.262 1.00 21.33 H new ATOM 0 HG13 VAL A 6 -9.783 -7.868 11.508 1.00 21.33 H new ATOM 0 HG21 VAL A 6 -12.843 -7.438 11.465 1.00 21.13 H new ATOM 0 HG22 VAL A 6 -11.677 -6.094 11.447 1.00 21.13 H new ATOM 0 HG23 VAL A 6 -12.908 -6.220 10.169 1.00 21.13 H new ATOM 104 N GLN A 7 -10.001 -8.223 7.177 1.00 22.21 N ATOM 105 CA GLN A 7 -9.221 -9.159 6.356 1.00 75.53 C ATOM 106 C GLN A 7 -8.116 -8.447 5.565 1.00 5.35 C ATOM 107 O GLN A 7 -6.951 -8.843 5.625 1.00 55.22 O ATOM 108 CB GLN A 7 -10.136 -9.931 5.393 1.00 75.35 C ATOM 109 CG GLN A 7 -11.233 -10.736 6.085 1.00 73.23 C ATOM 110 CD GLN A 7 -10.693 -11.739 7.091 1.00 71.52 C ATOM 111 OE1 GLN A 7 -10.430 -12.888 6.762 1.00 11.12 O ATOM 112 NE2 GLN A 7 -10.527 -11.311 8.325 1.00 74.23 N ATOM 0 H GLN A 7 -10.964 -8.094 6.865 1.00 22.21 H new ATOM 0 HA GLN A 7 -8.745 -9.861 7.040 1.00 75.53 H new ATOM 0 HB2 GLN A 7 -10.599 -9.224 4.704 1.00 75.35 H new ATOM 0 HB3 GLN A 7 -9.527 -10.608 4.794 1.00 75.35 H new ATOM 0 HG2 GLN A 7 -11.912 -10.051 6.593 1.00 73.23 H new ATOM 0 HG3 GLN A 7 -11.817 -11.265 5.332 1.00 73.23 H new ATOM 0 HE21 GLN A 7 -10.756 -10.347 8.565 1.00 74.23 H new ATOM 0 HE22 GLN A 7 -10.169 -11.944 9.040 1.00 74.23 H new ATOM 121 N ILE A 8 -8.477 -7.395 4.825 1.00 52.51 N ATOM 122 CA ILE A 8 -7.491 -6.658 4.024 1.00 41.30 C ATOM 123 C ILE A 8 -6.356 -6.106 4.904 1.00 11.04 C ATOM 124 O ILE A 8 -5.182 -6.217 4.552 1.00 51.32 O ATOM 125 CB ILE A 8 -8.137 -5.508 3.202 1.00 41.12 C ATOM 126 CG1 ILE A 8 -8.824 -4.486 4.123 1.00 42.12 C ATOM 127 CG2 ILE A 8 -9.130 -6.074 2.188 1.00 2.52 C ATOM 128 CD1 ILE A 8 -9.461 -3.322 3.389 1.00 51.54 C ATOM 0 H ILE A 8 -9.430 -7.037 4.763 1.00 52.51 H new ATOM 0 HA ILE A 8 -7.072 -7.374 3.318 1.00 41.30 H new ATOM 0 HB ILE A 8 -7.345 -4.989 2.662 1.00 41.12 H new ATOM 0 HG12 ILE A 8 -9.590 -4.996 4.707 1.00 42.12 H new ATOM 0 HG13 ILE A 8 -8.090 -4.098 4.829 1.00 42.12 H new ATOM 0 HG21 ILE A 8 -9.575 -5.257 1.619 1.00 2.52 H new ATOM 0 HG22 ILE A 8 -8.611 -6.749 1.508 1.00 2.52 H new ATOM 0 HG23 ILE A 8 -9.914 -6.620 2.712 1.00 2.52 H new ATOM 0 HD11 ILE A 8 -9.924 -2.647 4.109 1.00 51.54 H new ATOM 0 HD12 ILE A 8 -8.697 -2.785 2.827 1.00 51.54 H new ATOM 0 HD13 ILE A 8 -10.220 -3.696 2.703 1.00 51.54 H new ATOM 140 N PHE A 9 -6.709 -5.543 6.063 1.00 62.53 N ATOM 141 CA PHE A 9 -5.710 -5.062 7.025 1.00 65.34 C ATOM 142 C PHE A 9 -4.857 -6.226 7.548 1.00 74.33 C ATOM 143 O PHE A 9 -3.624 -6.145 7.588 1.00 44.43 O ATOM 144 CB PHE A 9 -6.394 -4.340 8.203 1.00 63.21 C ATOM 145 CG PHE A 9 -7.119 -3.062 7.828 1.00 42.50 C ATOM 146 CD1 PHE A 9 -6.957 -2.476 6.576 1.00 71.22 C ATOM 147 CD2 PHE A 9 -7.960 -2.444 8.743 1.00 31.03 C ATOM 148 CE1 PHE A 9 -7.619 -1.307 6.252 1.00 14.22 C ATOM 149 CE2 PHE A 9 -8.624 -1.275 8.421 1.00 44.41 C ATOM 150 CZ PHE A 9 -8.453 -0.707 7.175 1.00 74.03 C ATOM 0 H PHE A 9 -7.676 -5.409 6.359 1.00 62.53 H new ATOM 0 HA PHE A 9 -5.059 -4.355 6.510 1.00 65.34 H new ATOM 0 HB2 PHE A 9 -7.106 -5.023 8.666 1.00 63.21 H new ATOM 0 HB3 PHE A 9 -5.641 -4.107 8.955 1.00 63.21 H new ATOM 0 HD1 PHE A 9 -6.307 -2.940 5.849 1.00 71.22 H new ATOM 0 HD2 PHE A 9 -8.098 -2.883 9.720 1.00 31.03 H new ATOM 0 HE1 PHE A 9 -7.484 -0.863 5.277 1.00 14.22 H new ATOM 0 HE2 PHE A 9 -9.276 -0.807 9.144 1.00 44.41 H new ATOM 0 HZ PHE A 9 -8.971 0.206 6.922 1.00 74.03 H new ATOM 160 N ALA A 10 -5.527 -7.315 7.929 1.00 54.23 N ATOM 161 CA ALA A 10 -4.851 -8.515 8.431 1.00 12.13 C ATOM 162 C ALA A 10 -3.759 -8.993 7.469 1.00 75.22 C ATOM 163 O ALA A 10 -2.653 -9.313 7.893 1.00 14.02 O ATOM 164 CB ALA A 10 -5.862 -9.631 8.675 1.00 43.30 C ATOM 0 H ALA A 10 -6.544 -7.391 7.899 1.00 54.23 H new ATOM 0 HA ALA A 10 -4.373 -8.253 9.375 1.00 12.13 H new ATOM 0 HB1 ALA A 10 -5.345 -10.515 9.047 1.00 43.30 H new ATOM 0 HB2 ALA A 10 -6.596 -9.303 9.411 1.00 43.30 H new ATOM 0 HB3 ALA A 10 -6.369 -9.874 7.741 1.00 43.30 H new ATOM 170 N VAL A 11 -4.071 -9.020 6.174 1.00 74.01 N ATOM 171 CA VAL A 11 -3.109 -9.452 5.151 1.00 63.23 C ATOM 172 C VAL A 11 -1.894 -8.512 5.091 1.00 71.23 C ATOM 173 O VAL A 11 -0.747 -8.964 5.030 1.00 42.34 O ATOM 174 CB VAL A 11 -3.774 -9.523 3.751 1.00 73.14 C ATOM 175 CG1 VAL A 11 -2.765 -9.937 2.679 1.00 31.50 C ATOM 176 CG2 VAL A 11 -4.963 -10.483 3.772 1.00 52.14 C ATOM 0 H VAL A 11 -4.982 -8.748 5.804 1.00 74.01 H new ATOM 0 HA VAL A 11 -2.769 -10.448 5.435 1.00 63.23 H new ATOM 0 HB VAL A 11 -4.137 -8.526 3.500 1.00 73.14 H new ATOM 0 HG11 VAL A 11 -3.261 -9.978 1.709 1.00 31.50 H new ATOM 0 HG12 VAL A 11 -1.954 -9.209 2.642 1.00 31.50 H new ATOM 0 HG13 VAL A 11 -2.360 -10.919 2.921 1.00 31.50 H new ATOM 0 HG21 VAL A 11 -5.418 -10.521 2.782 1.00 52.14 H new ATOM 0 HG22 VAL A 11 -4.621 -11.479 4.053 1.00 52.14 H new ATOM 0 HG23 VAL A 11 -5.699 -10.135 4.496 1.00 52.14 H new ATOM 186 N ILE A 12 -2.155 -7.206 5.138 1.00 23.33 N ATOM 187 CA ILE A 12 -1.095 -6.185 5.062 1.00 53.42 C ATOM 188 C ILE A 12 -0.056 -6.340 6.191 1.00 41.54 C ATOM 189 O ILE A 12 1.127 -6.052 6.004 1.00 74.53 O ATOM 190 CB ILE A 12 -1.696 -4.757 5.112 1.00 52.12 C ATOM 191 CG1 ILE A 12 -2.706 -4.563 3.970 1.00 72.22 C ATOM 192 CG2 ILE A 12 -0.596 -3.692 5.040 1.00 32.10 C ATOM 193 CD1 ILE A 12 -3.535 -3.299 4.092 1.00 10.50 C ATOM 0 H ILE A 12 -3.096 -6.822 5.229 1.00 23.33 H new ATOM 0 HA ILE A 12 -0.589 -6.334 4.108 1.00 53.42 H new ATOM 0 HB ILE A 12 -2.215 -4.641 6.064 1.00 52.12 H new ATOM 0 HG12 ILE A 12 -2.168 -4.543 3.022 1.00 72.22 H new ATOM 0 HG13 ILE A 12 -3.375 -5.423 3.939 1.00 72.22 H new ATOM 0 HG21 ILE A 12 -1.047 -2.700 5.077 1.00 32.10 H new ATOM 0 HG22 ILE A 12 0.084 -3.813 5.883 1.00 32.10 H new ATOM 0 HG23 ILE A 12 -0.042 -3.804 4.108 1.00 32.10 H new ATOM 0 HD11 ILE A 12 -4.224 -3.233 3.250 1.00 10.50 H new ATOM 0 HD12 ILE A 12 -4.101 -3.324 5.023 1.00 10.50 H new ATOM 0 HD13 ILE A 12 -2.876 -2.430 4.091 1.00 10.50 H new ATOM 205 N HIS A 13 -0.496 -6.813 7.359 1.00 54.32 N ATOM 206 CA HIS A 13 0.416 -7.037 8.497 1.00 22.41 C ATOM 207 C HIS A 13 1.533 -8.061 8.186 1.00 43.33 C ATOM 208 O HIS A 13 2.469 -8.215 8.975 1.00 23.34 O ATOM 209 CB HIS A 13 -0.368 -7.490 9.739 1.00 60.32 C ATOM 210 CG HIS A 13 -1.151 -6.391 10.400 1.00 31.43 C ATOM 211 ND1 HIS A 13 -0.522 -5.377 11.083 1.00 51.23 N ATOM 212 CD2 HIS A 13 -2.490 -6.194 10.458 1.00 20.22 C ATOM 213 CE1 HIS A 13 -1.481 -4.591 11.535 1.00 52.24 C ATOM 214 NE2 HIS A 13 -2.690 -5.045 11.184 1.00 31.32 N ATOM 0 H HIS A 13 -1.470 -7.049 7.547 1.00 54.32 H new ATOM 0 HA HIS A 13 0.899 -6.080 8.692 1.00 22.41 H new ATOM 0 HB2 HIS A 13 -1.052 -8.289 9.453 1.00 60.32 H new ATOM 0 HB3 HIS A 13 0.329 -7.912 10.463 1.00 60.32 H new ATOM 0 HD2 HIS A 13 -3.253 -6.819 10.018 1.00 20.22 H new ATOM 0 HE1 HIS A 13 -1.312 -3.695 12.114 1.00 52.24 H new ATOM 0 HE2 HIS A 13 -3.588 -4.619 11.412 1.00 31.32 H new ATOM 222 N GLN A 14 1.435 -8.765 7.054 1.00 71.23 N ATOM 223 CA GLN A 14 2.467 -9.741 6.648 1.00 32.14 C ATOM 224 C GLN A 14 3.537 -9.122 5.730 1.00 54.11 C ATOM 225 O GLN A 14 4.491 -9.801 5.340 1.00 14.31 O ATOM 226 CB GLN A 14 1.829 -10.958 5.949 1.00 62.22 C ATOM 227 CG GLN A 14 1.379 -12.070 6.897 1.00 61.42 C ATOM 228 CD GLN A 14 0.269 -11.655 7.846 1.00 4.53 C ATOM 229 OE1 GLN A 14 0.190 -12.129 8.975 1.00 51.33 O ATOM 230 NE2 GLN A 14 -0.611 -10.791 7.395 1.00 4.12 N ATOM 0 H GLN A 14 0.656 -8.682 6.400 1.00 71.23 H new ATOM 0 HA GLN A 14 2.961 -10.064 7.564 1.00 32.14 H new ATOM 0 HB2 GLN A 14 0.968 -10.620 5.372 1.00 62.22 H new ATOM 0 HB3 GLN A 14 2.546 -11.371 5.240 1.00 62.22 H new ATOM 0 HG2 GLN A 14 1.041 -12.922 6.308 1.00 61.42 H new ATOM 0 HG3 GLN A 14 2.236 -12.406 7.480 1.00 61.42 H new ATOM 0 HE21 GLN A 14 -0.519 -10.414 6.452 1.00 4.12 H new ATOM 0 HE22 GLN A 14 -1.387 -10.496 7.988 1.00 4.12 H new ATOM 239 N ILE A 15 3.382 -7.846 5.382 1.00 15.44 N ATOM 240 CA ILE A 15 4.355 -7.158 4.523 1.00 43.01 C ATOM 241 C ILE A 15 5.574 -6.671 5.339 1.00 1.34 C ATOM 242 O ILE A 15 5.444 -5.802 6.208 1.00 22.35 O ATOM 243 CB ILE A 15 3.710 -5.954 3.787 1.00 64.45 C ATOM 244 CG1 ILE A 15 2.467 -6.410 3.001 1.00 53.24 C ATOM 245 CG2 ILE A 15 4.725 -5.286 2.854 1.00 12.41 C ATOM 246 CD1 ILE A 15 1.748 -5.287 2.279 1.00 52.03 C ATOM 0 H ILE A 15 2.597 -7.266 5.678 1.00 15.44 H new ATOM 0 HA ILE A 15 4.691 -7.882 3.781 1.00 43.01 H new ATOM 0 HB ILE A 15 3.398 -5.221 4.531 1.00 64.45 H new ATOM 0 HG12 ILE A 15 2.767 -7.163 2.273 1.00 53.24 H new ATOM 0 HG13 ILE A 15 1.771 -6.890 3.689 1.00 53.24 H new ATOM 0 HG21 ILE A 15 4.254 -4.444 2.347 1.00 12.41 H new ATOM 0 HG22 ILE A 15 5.575 -4.930 3.436 1.00 12.41 H new ATOM 0 HG23 ILE A 15 5.070 -6.008 2.114 1.00 12.41 H new ATOM 0 HD11 ILE A 15 0.884 -5.689 1.749 1.00 52.03 H new ATOM 0 HD12 ILE A 15 1.416 -4.543 3.003 1.00 52.03 H new ATOM 0 HD13 ILE A 15 2.427 -4.820 1.565 1.00 52.03 H new ATOM 258 N PRO A 16 6.775 -7.235 5.079 1.00 30.55 N ATOM 259 CA PRO A 16 8.011 -6.854 5.790 1.00 0.10 C ATOM 260 C PRO A 16 8.486 -5.430 5.452 1.00 22.03 C ATOM 261 O PRO A 16 7.969 -4.783 4.536 1.00 53.00 O ATOM 262 CB PRO A 16 9.045 -7.895 5.312 1.00 20.35 C ATOM 263 CG PRO A 16 8.248 -8.970 4.651 1.00 4.22 C ATOM 264 CD PRO A 16 7.033 -8.291 4.091 1.00 42.24 C ATOM 0 HA PRO A 16 7.860 -6.846 6.869 1.00 0.10 H new ATOM 0 HB2 PRO A 16 9.758 -7.451 4.617 1.00 20.35 H new ATOM 0 HB3 PRO A 16 9.620 -8.291 6.149 1.00 20.35 H new ATOM 0 HG2 PRO A 16 8.823 -9.455 3.862 1.00 4.22 H new ATOM 0 HG3 PRO A 16 7.969 -9.745 5.365 1.00 4.22 H new ATOM 0 HD2 PRO A 16 7.219 -7.881 3.098 1.00 42.24 H new ATOM 0 HD3 PRO A 16 6.190 -8.977 4.000 1.00 42.24 H new ATOM 272 N LYS A 17 9.489 -4.952 6.182 1.00 44.21 N ATOM 273 CA LYS A 17 10.010 -3.601 5.973 1.00 43.33 C ATOM 274 C LYS A 17 10.691 -3.473 4.603 1.00 1.42 C ATOM 275 O LYS A 17 11.483 -4.329 4.204 1.00 51.32 O ATOM 276 CB LYS A 17 10.998 -3.224 7.083 1.00 64.32 C ATOM 277 CG LYS A 17 11.376 -1.744 7.086 1.00 52.14 C ATOM 278 CD LYS A 17 12.486 -1.442 8.086 1.00 50.33 C ATOM 279 CE LYS A 17 12.743 0.056 8.218 1.00 61.02 C ATOM 280 NZ LYS A 17 11.655 0.744 8.965 1.00 43.23 N ATOM 0 H LYS A 17 9.957 -5.476 6.921 1.00 44.21 H new ATOM 0 HA LYS A 17 9.164 -2.914 6.002 1.00 43.33 H new ATOM 0 HB2 LYS A 17 10.563 -3.482 8.049 1.00 64.32 H new ATOM 0 HB3 LYS A 17 11.903 -3.822 6.972 1.00 64.32 H new ATOM 0 HG2 LYS A 17 11.698 -1.450 6.087 1.00 52.14 H new ATOM 0 HG3 LYS A 17 10.497 -1.146 7.327 1.00 52.14 H new ATOM 0 HD2 LYS A 17 12.218 -1.851 9.060 1.00 50.33 H new ATOM 0 HD3 LYS A 17 13.403 -1.941 7.772 1.00 50.33 H new ATOM 0 HE2 LYS A 17 13.692 0.217 8.729 1.00 61.02 H new ATOM 0 HE3 LYS A 17 12.836 0.497 7.225 1.00 61.02 H new ATOM 0 HZ1 LYS A 17 11.498 1.688 8.558 1.00 43.23 H new ATOM 0 HZ2 LYS A 17 10.780 0.187 8.895 1.00 43.23 H new ATOM 0 HZ3 LYS A 17 11.926 0.839 9.965 1.00 43.23 H new ATOM 294 N GLY A 18 10.363 -2.407 3.882 1.00 14.41 N ATOM 295 CA GLY A 18 10.951 -2.170 2.568 1.00 24.34 C ATOM 296 C GLY A 18 10.088 -2.687 1.422 1.00 11.21 C ATOM 297 O GLY A 18 10.165 -2.182 0.305 1.00 0.31 O ATOM 0 H GLY A 18 9.696 -1.696 4.183 1.00 14.41 H new ATOM 0 HA2 GLY A 18 11.114 -1.100 2.438 1.00 24.34 H new ATOM 0 HA3 GLY A 18 11.929 -2.649 2.523 1.00 24.34 H new ATOM 301 N LYS A 19 9.248 -3.685 1.701 1.00 45.31 N ATOM 302 CA LYS A 19 8.406 -4.299 0.666 1.00 71.01 C ATOM 303 C LYS A 19 7.071 -3.554 0.470 1.00 34.33 C ATOM 304 O LYS A 19 6.595 -2.843 1.363 1.00 32.42 O ATOM 305 CB LYS A 19 8.128 -5.771 1.005 1.00 53.21 C ATOM 306 CG LYS A 19 9.369 -6.661 1.028 1.00 21.21 C ATOM 307 CD LYS A 19 10.144 -6.599 -0.288 1.00 33.12 C ATOM 308 CE LYS A 19 11.135 -7.752 -0.422 1.00 41.40 C ATOM 309 NZ LYS A 19 12.178 -7.734 0.640 1.00 23.22 N ATOM 0 H LYS A 19 9.131 -4.086 2.631 1.00 45.31 H new ATOM 0 HA LYS A 19 8.961 -4.232 -0.270 1.00 71.01 H new ATOM 0 HB2 LYS A 19 7.643 -5.821 1.980 1.00 53.21 H new ATOM 0 HB3 LYS A 19 7.423 -6.171 0.277 1.00 53.21 H new ATOM 0 HG2 LYS A 19 10.020 -6.354 1.847 1.00 21.21 H new ATOM 0 HG3 LYS A 19 9.073 -7.691 1.226 1.00 21.21 H new ATOM 0 HD2 LYS A 19 9.444 -6.624 -1.123 1.00 33.12 H new ATOM 0 HD3 LYS A 19 10.679 -5.652 -0.349 1.00 33.12 H new ATOM 0 HE2 LYS A 19 10.595 -8.698 -0.380 1.00 41.40 H new ATOM 0 HE3 LYS A 19 11.615 -7.702 -1.399 1.00 41.40 H new ATOM 0 HZ1 LYS A 19 12.825 -8.537 0.504 1.00 23.22 H new ATOM 0 HZ2 LYS A 19 12.713 -6.844 0.586 1.00 23.22 H new ATOM 0 HZ3 LYS A 19 11.725 -7.809 1.573 1.00 23.22 H new ATOM 323 N VAL A 20 6.479 -3.731 -0.715 1.00 21.54 N ATOM 324 CA VAL A 20 5.167 -3.159 -1.052 1.00 54.32 C ATOM 325 C VAL A 20 4.330 -4.160 -1.870 1.00 32.55 C ATOM 326 O VAL A 20 4.874 -5.028 -2.555 1.00 71.03 O ATOM 327 CB VAL A 20 5.297 -1.839 -1.867 1.00 14.23 C ATOM 328 CG1 VAL A 20 5.993 -0.748 -1.053 1.00 52.13 C ATOM 329 CG2 VAL A 20 6.029 -2.084 -3.190 1.00 43.11 C ATOM 0 H VAL A 20 6.895 -4.276 -1.471 1.00 21.54 H new ATOM 0 HA VAL A 20 4.672 -2.940 -0.106 1.00 54.32 H new ATOM 0 HB VAL A 20 4.290 -1.490 -2.095 1.00 14.23 H new ATOM 0 HG11 VAL A 20 6.068 0.160 -1.651 1.00 52.13 H new ATOM 0 HG12 VAL A 20 5.416 -0.542 -0.152 1.00 52.13 H new ATOM 0 HG13 VAL A 20 6.992 -1.083 -0.775 1.00 52.13 H new ATOM 0 HG21 VAL A 20 6.107 -1.147 -3.741 1.00 43.11 H new ATOM 0 HG22 VAL A 20 7.028 -2.470 -2.987 1.00 43.11 H new ATOM 0 HG23 VAL A 20 5.473 -2.809 -3.784 1.00 43.11 H new ATOM 339 N SER A 21 3.010 -4.041 -1.797 1.00 55.21 N ATOM 340 CA SER A 21 2.106 -4.890 -2.590 1.00 0.33 C ATOM 341 C SER A 21 0.991 -4.050 -3.226 1.00 13.33 C ATOM 342 O SER A 21 0.941 -2.833 -3.046 1.00 2.53 O ATOM 343 CB SER A 21 1.502 -6.005 -1.722 1.00 21.35 C ATOM 344 OG SER A 21 0.675 -6.868 -2.492 1.00 13.33 O ATOM 0 H SER A 21 2.534 -3.366 -1.198 1.00 55.21 H new ATOM 0 HA SER A 21 2.691 -5.351 -3.386 1.00 0.33 H new ATOM 0 HB2 SER A 21 2.302 -6.582 -1.259 1.00 21.35 H new ATOM 0 HB3 SER A 21 0.918 -5.564 -0.914 1.00 21.35 H new ATOM 0 HG SER A 21 0.306 -7.568 -1.915 1.00 13.33 H new ATOM 350 N THR A 22 0.099 -4.695 -3.974 1.00 11.20 N ATOM 351 CA THR A 22 -0.971 -3.981 -4.684 1.00 72.25 C ATOM 352 C THR A 22 -2.353 -4.273 -4.090 1.00 11.54 C ATOM 353 O THR A 22 -2.571 -5.315 -3.465 1.00 63.55 O ATOM 354 CB THR A 22 -1.003 -4.350 -6.185 1.00 24.20 C ATOM 355 OG1 THR A 22 -1.338 -5.738 -6.345 1.00 31.41 O ATOM 356 CG2 THR A 22 0.340 -4.062 -6.851 1.00 62.42 C ATOM 0 H THR A 22 0.092 -5.706 -4.107 1.00 11.20 H new ATOM 0 HA THR A 22 -0.746 -2.921 -4.568 1.00 72.25 H new ATOM 0 HB THR A 22 -1.764 -3.736 -6.667 1.00 24.20 H new ATOM 0 HG1 THR A 22 -0.516 -6.267 -6.415 1.00 31.41 H new ATOM 0 HG21 THR A 22 0.288 -4.331 -7.906 1.00 62.42 H new ATOM 0 HG22 THR A 22 0.572 -3.001 -6.758 1.00 62.42 H new ATOM 0 HG23 THR A 22 1.120 -4.648 -6.365 1.00 62.42 H new ATOM 364 N TYR A 23 -3.290 -3.344 -4.293 1.00 35.21 N ATOM 365 CA TYR A 23 -4.677 -3.516 -3.831 1.00 40.23 C ATOM 366 C TYR A 23 -5.297 -4.826 -4.346 1.00 45.54 C ATOM 367 O TYR A 23 -6.088 -5.464 -3.651 1.00 60.11 O ATOM 368 CB TYR A 23 -5.540 -2.322 -4.266 1.00 11.31 C ATOM 369 CG TYR A 23 -5.142 -1.022 -3.595 1.00 23.20 C ATOM 370 CD1 TYR A 23 -5.374 -0.828 -2.239 1.00 32.44 C ATOM 371 CD2 TYR A 23 -4.529 0.002 -4.306 1.00 31.32 C ATOM 372 CE1 TYR A 23 -5.006 0.344 -1.613 1.00 34.31 C ATOM 373 CE2 TYR A 23 -4.155 1.177 -3.684 1.00 72.21 C ATOM 374 CZ TYR A 23 -4.399 1.342 -2.337 1.00 73.52 C ATOM 375 OH TYR A 23 -4.025 2.506 -1.709 1.00 4.31 O ATOM 0 H TYR A 23 -3.117 -2.462 -4.775 1.00 35.21 H new ATOM 0 HA TYR A 23 -4.651 -3.566 -2.742 1.00 40.23 H new ATOM 0 HB2 TYR A 23 -5.466 -2.203 -5.347 1.00 11.31 H new ATOM 0 HB3 TYR A 23 -6.585 -2.535 -4.040 1.00 11.31 H new ATOM 0 HD1 TYR A 23 -5.851 -1.609 -1.665 1.00 32.44 H new ATOM 0 HD2 TYR A 23 -4.342 -0.123 -5.362 1.00 31.32 H new ATOM 0 HE1 TYR A 23 -5.194 0.477 -0.558 1.00 34.31 H new ATOM 0 HE2 TYR A 23 -3.674 1.962 -4.249 1.00 72.21 H new ATOM 0 HH TYR A 23 -3.100 2.426 -1.396 1.00 4.31 H new ATOM 385 N GLY A 24 -4.927 -5.219 -5.562 1.00 41.24 N ATOM 386 CA GLY A 24 -5.405 -6.476 -6.125 1.00 1.00 C ATOM 387 C GLY A 24 -4.906 -7.695 -5.355 1.00 20.01 C ATOM 388 O GLY A 24 -5.691 -8.567 -4.981 1.00 14.45 O ATOM 0 H GLY A 24 -4.303 -4.690 -6.171 1.00 41.24 H new ATOM 0 HA2 GLY A 24 -6.495 -6.476 -6.130 1.00 1.00 H new ATOM 0 HA3 GLY A 24 -5.082 -6.550 -7.163 1.00 1.00 H new ATOM 392 N GLU A 25 -3.595 -7.747 -5.109 1.00 1.32 N ATOM 393 CA GLU A 25 -2.987 -8.838 -4.334 1.00 21.30 C ATOM 394 C GLU A 25 -3.632 -8.965 -2.945 1.00 31.25 C ATOM 395 O GLU A 25 -4.097 -10.042 -2.555 1.00 2.11 O ATOM 396 CB GLU A 25 -1.474 -8.602 -4.188 1.00 61.33 C ATOM 397 CG GLU A 25 -0.695 -8.775 -5.489 1.00 12.03 C ATOM 398 CD GLU A 25 0.753 -8.310 -5.389 1.00 72.32 C ATOM 399 OE1 GLU A 25 1.522 -8.898 -4.597 1.00 72.45 O ATOM 400 OE2 GLU A 25 1.134 -7.366 -6.114 1.00 45.21 O ATOM 0 H GLU A 25 -2.930 -7.046 -5.435 1.00 1.32 H new ATOM 0 HA GLU A 25 -3.159 -9.769 -4.874 1.00 21.30 H new ATOM 0 HB2 GLU A 25 -1.308 -7.594 -3.807 1.00 61.33 H new ATOM 0 HB3 GLU A 25 -1.078 -9.293 -3.444 1.00 61.33 H new ATOM 0 HG2 GLU A 25 -0.713 -9.826 -5.779 1.00 12.03 H new ATOM 0 HG3 GLU A 25 -1.195 -8.217 -6.281 1.00 12.03 H new ATOM 407 N ILE A 26 -3.657 -7.856 -2.206 1.00 11.20 N ATOM 408 CA ILE A 26 -4.243 -7.830 -0.862 1.00 54.12 C ATOM 409 C ILE A 26 -5.713 -8.296 -0.871 1.00 34.52 C ATOM 410 O ILE A 26 -6.108 -9.147 -0.074 1.00 14.51 O ATOM 411 CB ILE A 26 -4.151 -6.408 -0.240 1.00 1.13 C ATOM 412 CG1 ILE A 26 -2.681 -5.944 -0.154 1.00 12.01 C ATOM 413 CG2 ILE A 26 -4.812 -6.373 1.138 1.00 74.55 C ATOM 414 CD1 ILE A 26 -1.803 -6.820 0.719 1.00 71.25 C ATOM 0 H ILE A 26 -3.278 -6.961 -2.515 1.00 11.20 H new ATOM 0 HA ILE A 26 -3.665 -8.525 -0.252 1.00 54.12 H new ATOM 0 HB ILE A 26 -4.689 -5.718 -0.890 1.00 1.13 H new ATOM 0 HG12 ILE A 26 -2.261 -5.916 -1.160 1.00 12.01 H new ATOM 0 HG13 ILE A 26 -2.655 -4.925 0.231 1.00 12.01 H new ATOM 0 HG21 ILE A 26 -4.735 -5.368 1.553 1.00 74.55 H new ATOM 0 HG22 ILE A 26 -5.863 -6.648 1.045 1.00 74.55 H new ATOM 0 HG23 ILE A 26 -4.310 -7.078 1.800 1.00 74.55 H new ATOM 0 HD11 ILE A 26 -0.787 -6.425 0.726 1.00 71.25 H new ATOM 0 HD12 ILE A 26 -2.195 -6.830 1.736 1.00 71.25 H new ATOM 0 HD13 ILE A 26 -1.795 -7.836 0.324 1.00 71.25 H new ATOM 426 N ALA A 27 -6.509 -7.750 -1.791 1.00 23.25 N ATOM 427 CA ALA A 27 -7.931 -8.103 -1.902 1.00 52.04 C ATOM 428 C ALA A 27 -8.132 -9.605 -2.189 1.00 30.34 C ATOM 429 O ALA A 27 -8.912 -10.281 -1.511 1.00 74.43 O ATOM 430 CB ALA A 27 -8.588 -7.255 -2.985 1.00 73.22 C ATOM 0 H ALA A 27 -6.195 -7.060 -2.473 1.00 23.25 H new ATOM 0 HA ALA A 27 -8.406 -7.896 -0.943 1.00 52.04 H new ATOM 0 HB1 ALA A 27 -9.642 -7.519 -3.065 1.00 73.22 H new ATOM 0 HB2 ALA A 27 -8.497 -6.200 -2.726 1.00 73.22 H new ATOM 0 HB3 ALA A 27 -8.095 -7.438 -3.940 1.00 73.22 H new ATOM 436 N LYS A 28 -7.411 -10.123 -3.186 1.00 1.32 N ATOM 437 CA LYS A 28 -7.496 -11.543 -3.557 1.00 61.21 C ATOM 438 C LYS A 28 -7.085 -12.465 -2.395 1.00 25.51 C ATOM 439 O LYS A 28 -7.654 -13.541 -2.210 1.00 42.52 O ATOM 440 CB LYS A 28 -6.609 -11.829 -4.779 1.00 60.52 C ATOM 441 CG LYS A 28 -7.074 -11.145 -6.065 1.00 13.10 C ATOM 442 CD LYS A 28 -6.127 -11.427 -7.231 1.00 34.11 C ATOM 443 CE LYS A 28 -6.020 -12.918 -7.528 1.00 0.33 C ATOM 444 NZ LYS A 28 -5.046 -13.199 -8.613 1.00 3.42 N ATOM 0 H LYS A 28 -6.759 -9.581 -3.754 1.00 1.32 H new ATOM 0 HA LYS A 28 -8.537 -11.752 -3.802 1.00 61.21 H new ATOM 0 HB2 LYS A 28 -5.591 -11.508 -4.558 1.00 60.52 H new ATOM 0 HB3 LYS A 28 -6.575 -12.906 -4.945 1.00 60.52 H new ATOM 0 HG2 LYS A 28 -8.076 -11.490 -6.319 1.00 13.10 H new ATOM 0 HG3 LYS A 28 -7.139 -10.069 -5.902 1.00 13.10 H new ATOM 0 HD2 LYS A 28 -6.480 -10.904 -8.120 1.00 34.11 H new ATOM 0 HD3 LYS A 28 -5.138 -11.031 -7.000 1.00 34.11 H new ATOM 0 HE2 LYS A 28 -5.719 -13.447 -6.624 1.00 0.33 H new ATOM 0 HE3 LYS A 28 -7.000 -13.303 -7.811 1.00 0.33 H new ATOM 0 HZ1 LYS A 28 -5.003 -14.224 -8.784 1.00 3.42 H new ATOM 0 HZ2 LYS A 28 -5.346 -12.715 -9.483 1.00 3.42 H new ATOM 0 HZ3 LYS A 28 -4.105 -12.855 -8.333 1.00 3.42 H new ATOM 458 N MET A 29 -6.089 -12.041 -1.617 1.00 41.43 N ATOM 459 CA MET A 29 -5.623 -12.826 -0.465 1.00 65.22 C ATOM 460 C MET A 29 -6.468 -12.552 0.792 1.00 14.11 C ATOM 461 O MET A 29 -6.333 -13.241 1.804 1.00 44.31 O ATOM 462 CB MET A 29 -4.138 -12.547 -0.196 1.00 11.32 C ATOM 463 CG MET A 29 -3.225 -13.034 -1.316 1.00 61.40 C ATOM 464 SD MET A 29 -1.479 -12.705 -1.001 1.00 43.20 S ATOM 465 CE MET A 29 -1.463 -10.914 -1.002 1.00 42.52 C ATOM 0 H MET A 29 -5.589 -11.163 -1.759 1.00 41.43 H new ATOM 0 HA MET A 29 -5.743 -13.881 -0.711 1.00 65.22 H new ATOM 0 HB2 MET A 29 -3.995 -11.475 -0.059 1.00 11.32 H new ATOM 0 HB3 MET A 29 -3.847 -13.029 0.737 1.00 11.32 H new ATOM 0 HG2 MET A 29 -3.368 -14.106 -1.452 1.00 61.40 H new ATOM 0 HG3 MET A 29 -3.517 -12.552 -2.249 1.00 61.40 H new ATOM 0 HE1 MET A 29 -0.437 -10.559 -1.105 1.00 42.52 H new ATOM 0 HE2 MET A 29 -2.060 -10.545 -1.836 1.00 42.52 H new ATOM 0 HE3 MET A 29 -1.882 -10.546 -0.065 1.00 42.52 H new ATOM 475 N ALA A 30 -7.330 -11.538 0.724 1.00 71.23 N ATOM 476 CA ALA A 30 -8.288 -11.253 1.800 1.00 33.34 C ATOM 477 C ALA A 30 -9.641 -11.937 1.541 1.00 30.14 C ATOM 478 O ALA A 30 -10.503 -11.989 2.420 1.00 51.55 O ATOM 479 CB ALA A 30 -8.480 -9.748 1.950 1.00 41.53 C ATOM 0 H ALA A 30 -7.387 -10.896 -0.067 1.00 71.23 H new ATOM 0 HA ALA A 30 -7.880 -11.655 2.727 1.00 33.34 H new ATOM 0 HB1 ALA A 30 -9.192 -9.550 2.751 1.00 41.53 H new ATOM 0 HB2 ALA A 30 -7.525 -9.282 2.191 1.00 41.53 H new ATOM 0 HB3 ALA A 30 -8.860 -9.335 1.016 1.00 41.53 H new ATOM 485 N GLY A 31 -9.817 -12.455 0.322 1.00 23.14 N ATOM 486 CA GLY A 31 -11.059 -13.133 -0.043 1.00 72.12 C ATOM 487 C GLY A 31 -12.112 -12.197 -0.639 1.00 32.23 C ATOM 488 O GLY A 31 -13.308 -12.507 -0.635 1.00 12.55 O ATOM 0 H GLY A 31 -9.120 -12.417 -0.422 1.00 23.14 H new ATOM 0 HA2 GLY A 31 -10.836 -13.921 -0.762 1.00 72.12 H new ATOM 0 HA3 GLY A 31 -11.473 -13.617 0.842 1.00 72.12 H new ATOM 492 N TYR A 32 -11.670 -11.053 -1.161 1.00 22.32 N ATOM 493 CA TYR A 32 -12.579 -10.060 -1.756 1.00 34.24 C ATOM 494 C TYR A 32 -12.063 -9.550 -3.118 1.00 74.51 C ATOM 495 O TYR A 32 -11.509 -8.452 -3.212 1.00 53.22 O ATOM 496 CB TYR A 32 -12.776 -8.874 -0.798 1.00 62.31 C ATOM 497 CG TYR A 32 -13.452 -9.234 0.515 1.00 15.44 C ATOM 498 CD1 TYR A 32 -12.711 -9.634 1.624 1.00 71.11 C ATOM 499 CD2 TYR A 32 -14.836 -9.159 0.648 1.00 30.04 C ATOM 500 CE1 TYR A 32 -13.327 -9.948 2.820 1.00 44.43 C ATOM 501 CE2 TYR A 32 -15.457 -9.467 1.844 1.00 35.42 C ATOM 502 CZ TYR A 32 -14.699 -9.861 2.926 1.00 52.04 C ATOM 503 OH TYR A 32 -15.313 -10.157 4.123 1.00 51.32 O ATOM 0 H TYR A 32 -10.686 -10.786 -1.186 1.00 22.32 H new ATOM 0 HA TYR A 32 -13.535 -10.556 -1.924 1.00 34.24 H new ATOM 0 HB2 TYR A 32 -11.804 -8.431 -0.583 1.00 62.31 H new ATOM 0 HB3 TYR A 32 -13.370 -8.111 -1.301 1.00 62.31 H new ATOM 0 HD1 TYR A 32 -11.636 -9.700 1.548 1.00 71.11 H new ATOM 0 HD2 TYR A 32 -15.435 -8.855 -0.198 1.00 30.04 H new ATOM 0 HE1 TYR A 32 -12.736 -10.260 3.669 1.00 44.43 H new ATOM 0 HE2 TYR A 32 -16.531 -9.399 1.930 1.00 35.42 H new ATOM 0 HH TYR A 32 -16.282 -10.045 4.030 1.00 51.32 H new ATOM 513 N PRO A 33 -12.228 -10.342 -4.196 1.00 13.45 N ATOM 514 CA PRO A 33 -11.796 -9.936 -5.545 1.00 0.02 C ATOM 515 C PRO A 33 -12.697 -8.845 -6.155 1.00 2.15 C ATOM 516 O PRO A 33 -13.927 -8.916 -6.072 1.00 25.05 O ATOM 517 CB PRO A 33 -11.891 -11.240 -6.349 1.00 73.23 C ATOM 518 CG PRO A 33 -12.947 -12.034 -5.655 1.00 11.14 C ATOM 519 CD PRO A 33 -12.836 -11.688 -4.190 1.00 24.44 C ATOM 0 HA PRO A 33 -10.800 -9.494 -5.541 1.00 0.02 H new ATOM 0 HB2 PRO A 33 -12.159 -11.047 -7.388 1.00 73.23 H new ATOM 0 HB3 PRO A 33 -10.939 -11.770 -6.359 1.00 73.23 H new ATOM 0 HG2 PRO A 33 -13.936 -11.787 -6.040 1.00 11.14 H new ATOM 0 HG3 PRO A 33 -12.800 -13.102 -5.815 1.00 11.14 H new ATOM 0 HD2 PRO A 33 -13.812 -11.685 -3.704 1.00 24.44 H new ATOM 0 HD3 PRO A 33 -12.215 -12.406 -3.654 1.00 24.44 H new ATOM 527 N GLY A 34 -12.076 -7.833 -6.764 1.00 63.31 N ATOM 528 CA GLY A 34 -12.828 -6.735 -7.366 1.00 11.12 C ATOM 529 C GLY A 34 -13.061 -5.556 -6.419 1.00 40.00 C ATOM 530 O GLY A 34 -13.649 -4.549 -6.812 1.00 54.12 O ATOM 0 H GLY A 34 -11.063 -7.752 -6.852 1.00 63.31 H new ATOM 0 HA2 GLY A 34 -12.294 -6.381 -8.248 1.00 11.12 H new ATOM 0 HA3 GLY A 34 -13.792 -7.111 -7.707 1.00 11.12 H new ATOM 534 N TYR A 35 -12.600 -5.673 -5.173 1.00 31.00 N ATOM 535 CA TYR A 35 -12.771 -4.604 -4.172 1.00 33.24 C ATOM 536 C TYR A 35 -11.500 -3.748 -4.008 1.00 44.24 C ATOM 537 O TYR A 35 -11.317 -3.086 -2.984 1.00 61.33 O ATOM 538 CB TYR A 35 -13.164 -5.217 -2.822 1.00 44.21 C ATOM 539 CG TYR A 35 -14.553 -5.829 -2.808 1.00 64.10 C ATOM 540 CD1 TYR A 35 -14.765 -7.144 -3.207 1.00 34.33 C ATOM 541 CD2 TYR A 35 -15.653 -5.085 -2.393 1.00 43.33 C ATOM 542 CE1 TYR A 35 -16.029 -7.699 -3.194 1.00 53.31 C ATOM 543 CE2 TYR A 35 -16.919 -5.634 -2.378 1.00 70.00 C ATOM 544 CZ TYR A 35 -17.101 -6.941 -2.779 1.00 52.31 C ATOM 545 OH TYR A 35 -18.364 -7.489 -2.767 1.00 50.23 O ATOM 0 H TYR A 35 -12.105 -6.495 -4.827 1.00 31.00 H new ATOM 0 HA TYR A 35 -13.563 -3.945 -4.528 1.00 33.24 H new ATOM 0 HB2 TYR A 35 -12.437 -5.984 -2.556 1.00 44.21 H new ATOM 0 HB3 TYR A 35 -13.109 -4.446 -2.054 1.00 44.21 H new ATOM 0 HD1 TYR A 35 -13.926 -7.742 -3.533 1.00 34.33 H new ATOM 0 HD2 TYR A 35 -15.514 -4.062 -2.078 1.00 43.33 H new ATOM 0 HE1 TYR A 35 -16.176 -8.722 -3.508 1.00 53.31 H new ATOM 0 HE2 TYR A 35 -17.763 -5.043 -2.054 1.00 70.00 H new ATOM 0 HH TYR A 35 -19.007 -6.822 -2.447 1.00 50.23 H new ATOM 555 N ALA A 36 -10.653 -3.735 -5.036 1.00 3.41 N ATOM 556 CA ALA A 36 -9.372 -3.006 -4.999 1.00 13.12 C ATOM 557 C ALA A 36 -9.533 -1.541 -4.543 1.00 34.41 C ATOM 558 O ALA A 36 -8.807 -1.067 -3.663 1.00 4.32 O ATOM 559 CB ALA A 36 -8.703 -3.063 -6.370 1.00 14.04 C ATOM 0 H ALA A 36 -10.827 -4.223 -5.915 1.00 3.41 H new ATOM 0 HA ALA A 36 -8.741 -3.499 -4.259 1.00 13.12 H new ATOM 0 HB1 ALA A 36 -7.757 -2.523 -6.336 1.00 14.04 H new ATOM 0 HB2 ALA A 36 -8.518 -4.102 -6.641 1.00 14.04 H new ATOM 0 HB3 ALA A 36 -9.356 -2.605 -7.113 1.00 14.04 H new ATOM 565 N ARG A 37 -10.492 -0.831 -5.135 1.00 43.40 N ATOM 566 CA ARG A 37 -10.722 0.582 -4.800 1.00 44.14 C ATOM 567 C ARG A 37 -11.266 0.747 -3.368 1.00 44.30 C ATOM 568 O ARG A 37 -10.972 1.738 -2.691 1.00 72.31 O ATOM 569 CB ARG A 37 -11.674 1.219 -5.824 1.00 62.41 C ATOM 570 CG ARG A 37 -12.146 2.620 -5.444 1.00 75.40 C ATOM 571 CD ARG A 37 -12.822 3.337 -6.611 1.00 22.42 C ATOM 572 NE ARG A 37 -13.841 2.512 -7.265 1.00 34.03 N ATOM 573 CZ ARG A 37 -15.011 2.948 -7.652 1.00 41.43 C ATOM 574 NH1 ARG A 37 -15.400 4.152 -7.371 1.00 32.44 N ATOM 575 NH2 ARG A 37 -15.797 2.160 -8.308 1.00 42.42 N ATOM 0 H ARG A 37 -11.121 -1.204 -5.846 1.00 43.40 H new ATOM 0 HA ARG A 37 -9.763 1.098 -4.841 1.00 44.14 H new ATOM 0 HB2 ARG A 37 -11.173 1.265 -6.791 1.00 62.41 H new ATOM 0 HB3 ARG A 37 -12.544 0.574 -5.946 1.00 62.41 H new ATOM 0 HG2 ARG A 37 -12.843 2.553 -4.608 1.00 75.40 H new ATOM 0 HG3 ARG A 37 -11.294 3.208 -5.102 1.00 75.40 H new ATOM 0 HD2 ARG A 37 -13.281 4.257 -6.250 1.00 22.42 H new ATOM 0 HD3 ARG A 37 -12.067 3.623 -7.343 1.00 22.42 H new ATOM 0 HE ARG A 37 -13.622 1.529 -7.430 1.00 34.03 H new ATOM 0 HH11 ARG A 37 -14.790 4.774 -6.841 1.00 32.44 H new ATOM 0 HH12 ARG A 37 -16.316 4.477 -7.680 1.00 32.44 H new ATOM 0 HH21 ARG A 37 -15.503 1.207 -8.520 1.00 42.42 H new ATOM 0 HH22 ARG A 37 -16.712 2.491 -8.614 1.00 42.42 H new ATOM 589 N HIS A 38 -12.046 -0.230 -2.908 1.00 61.01 N ATOM 590 CA HIS A 38 -12.599 -0.205 -1.549 1.00 12.35 C ATOM 591 C HIS A 38 -11.489 -0.371 -0.500 1.00 53.21 C ATOM 592 O HIS A 38 -11.534 0.239 0.569 1.00 64.00 O ATOM 593 CB HIS A 38 -13.664 -1.295 -1.390 1.00 10.15 C ATOM 594 CG HIS A 38 -14.823 -1.127 -2.322 1.00 11.32 C ATOM 595 ND1 HIS A 38 -15.977 -0.498 -1.927 1.00 1.12 N ATOM 596 CD2 HIS A 38 -14.955 -1.521 -3.611 1.00 63.20 C ATOM 597 CE1 HIS A 38 -16.780 -0.522 -2.973 1.00 50.23 C ATOM 598 NE2 HIS A 38 -16.204 -1.133 -4.019 1.00 31.23 N ATOM 0 H HIS A 38 -12.311 -1.050 -3.454 1.00 61.01 H new ATOM 0 HA HIS A 38 -13.068 0.765 -1.387 1.00 12.35 H new ATOM 0 HB2 HIS A 38 -13.206 -2.269 -1.562 1.00 10.15 H new ATOM 0 HB3 HIS A 38 -14.028 -1.291 -0.363 1.00 10.15 H new ATOM 0 HD2 HIS A 38 -14.217 -2.041 -4.204 1.00 63.20 H new ATOM 0 HE1 HIS A 38 -17.775 -0.103 -2.986 1.00 50.23 H new ATOM 0 HE2 HIS A 38 -16.616 -1.280 -4.940 1.00 31.23 H new ATOM 606 N VAL A 39 -10.484 -1.189 -0.819 1.00 61.11 N ATOM 607 CA VAL A 39 -9.292 -1.301 0.026 1.00 74.13 C ATOM 608 C VAL A 39 -8.600 0.068 0.137 1.00 0.32 C ATOM 609 O VAL A 39 -8.178 0.489 1.217 1.00 60.22 O ATOM 610 CB VAL A 39 -8.290 -2.344 -0.534 1.00 73.54 C ATOM 611 CG1 VAL A 39 -7.091 -2.505 0.399 1.00 31.24 C ATOM 612 CG2 VAL A 39 -8.978 -3.689 -0.771 1.00 22.42 C ATOM 0 H VAL A 39 -10.470 -1.780 -1.650 1.00 61.11 H new ATOM 0 HA VAL A 39 -9.614 -1.636 1.012 1.00 74.13 H new ATOM 0 HB VAL A 39 -7.925 -1.977 -1.493 1.00 73.54 H new ATOM 0 HG11 VAL A 39 -6.403 -3.242 -0.016 1.00 31.24 H new ATOM 0 HG12 VAL A 39 -6.579 -1.548 0.502 1.00 31.24 H new ATOM 0 HG13 VAL A 39 -7.434 -2.840 1.378 1.00 31.24 H new ATOM 0 HG21 VAL A 39 -8.255 -4.404 -1.164 1.00 22.42 H new ATOM 0 HG22 VAL A 39 -9.382 -4.062 0.170 1.00 22.42 H new ATOM 0 HG23 VAL A 39 -9.788 -3.562 -1.489 1.00 22.42 H new ATOM 622 N GLY A 40 -8.508 0.765 -1.001 1.00 61.24 N ATOM 623 CA GLY A 40 -7.981 2.127 -1.017 1.00 62.24 C ATOM 624 C GLY A 40 -8.784 3.082 -0.137 1.00 24.33 C ATOM 625 O GLY A 40 -8.218 3.965 0.515 1.00 30.54 O ATOM 0 H GLY A 40 -8.790 0.409 -1.914 1.00 61.24 H new ATOM 0 HA2 GLY A 40 -6.944 2.115 -0.680 1.00 62.24 H new ATOM 0 HA3 GLY A 40 -7.979 2.499 -2.042 1.00 62.24 H new ATOM 629 N LYS A 41 -10.109 2.911 -0.124 1.00 51.10 N ATOM 630 CA LYS A 41 -10.981 3.686 0.768 1.00 45.52 C ATOM 631 C LYS A 41 -10.578 3.476 2.233 1.00 23.33 C ATOM 632 O LYS A 41 -10.372 4.435 2.982 1.00 74.11 O ATOM 633 CB LYS A 41 -12.453 3.276 0.597 1.00 3.23 C ATOM 634 CG LYS A 41 -13.049 3.571 -0.775 1.00 60.22 C ATOM 635 CD LYS A 41 -14.521 3.159 -0.840 1.00 33.31 C ATOM 636 CE LYS A 41 -15.360 3.888 0.209 1.00 32.01 C ATOM 637 NZ LYS A 41 -16.772 3.418 0.232 1.00 45.43 N ATOM 0 H LYS A 41 -10.602 2.245 -0.719 1.00 51.10 H new ATOM 0 HA LYS A 41 -10.867 4.737 0.501 1.00 45.52 H new ATOM 0 HB2 LYS A 41 -12.542 2.207 0.793 1.00 3.23 H new ATOM 0 HB3 LYS A 41 -13.048 3.789 1.353 1.00 3.23 H new ATOM 0 HG2 LYS A 41 -12.957 4.635 -0.993 1.00 60.22 H new ATOM 0 HG3 LYS A 41 -12.486 3.038 -1.541 1.00 60.22 H new ATOM 0 HD2 LYS A 41 -14.915 3.373 -1.834 1.00 33.31 H new ATOM 0 HD3 LYS A 41 -14.604 2.083 -0.689 1.00 33.31 H new ATOM 0 HE2 LYS A 41 -14.915 3.741 1.193 1.00 32.01 H new ATOM 0 HE3 LYS A 41 -15.339 4.959 0.007 1.00 32.01 H new ATOM 0 HZ1 LYS A 41 -17.300 3.942 0.959 1.00 45.43 H new ATOM 0 HZ2 LYS A 41 -17.208 3.582 -0.698 1.00 45.43 H new ATOM 0 HZ3 LYS A 41 -16.796 2.402 0.451 1.00 45.43 H new ATOM 651 N ALA A 42 -10.453 2.207 2.621 1.00 41.33 N ATOM 652 CA ALA A 42 -10.125 1.832 3.999 1.00 73.34 C ATOM 653 C ALA A 42 -8.804 2.460 4.471 1.00 14.20 C ATOM 654 O ALA A 42 -8.730 3.014 5.570 1.00 34.31 O ATOM 655 CB ALA A 42 -10.068 0.314 4.116 1.00 55.13 C ATOM 0 H ALA A 42 -10.575 1.412 1.993 1.00 41.33 H new ATOM 0 HA ALA A 42 -10.910 2.219 4.648 1.00 73.34 H new ATOM 0 HB1 ALA A 42 -9.824 0.037 5.142 1.00 55.13 H new ATOM 0 HB2 ALA A 42 -11.036 -0.108 3.847 1.00 55.13 H new ATOM 0 HB3 ALA A 42 -9.303 -0.074 3.443 1.00 55.13 H new ATOM 661 N LEU A 43 -7.767 2.373 3.636 1.00 41.31 N ATOM 662 CA LEU A 43 -6.456 2.946 3.969 1.00 13.32 C ATOM 663 C LEU A 43 -6.518 4.478 4.072 1.00 64.12 C ATOM 664 O LEU A 43 -5.898 5.076 4.951 1.00 2.21 O ATOM 665 CB LEU A 43 -5.405 2.532 2.926 1.00 34.45 C ATOM 666 CG LEU A 43 -5.196 1.016 2.759 1.00 53.34 C ATOM 667 CD1 LEU A 43 -4.049 0.739 1.790 1.00 75.34 C ATOM 668 CD2 LEU A 43 -4.940 0.349 4.110 1.00 41.23 C ATOM 0 H LEU A 43 -7.806 1.913 2.726 1.00 41.31 H new ATOM 0 HA LEU A 43 -6.166 2.553 4.944 1.00 13.32 H new ATOM 0 HB2 LEU A 43 -5.692 2.950 1.961 1.00 34.45 H new ATOM 0 HB3 LEU A 43 -4.451 2.985 3.198 1.00 34.45 H new ATOM 0 HG LEU A 43 -6.108 0.589 2.342 1.00 53.34 H new ATOM 0 HD11 LEU A 43 -3.915 -0.337 1.683 1.00 75.34 H new ATOM 0 HD12 LEU A 43 -4.281 1.174 0.818 1.00 75.34 H new ATOM 0 HD13 LEU A 43 -3.131 1.183 2.176 1.00 75.34 H new ATOM 0 HD21 LEU A 43 -4.795 -0.722 3.966 1.00 41.23 H new ATOM 0 HD22 LEU A 43 -4.047 0.778 4.564 1.00 41.23 H new ATOM 0 HD23 LEU A 43 -5.795 0.515 4.765 1.00 41.23 H new ATOM 680 N GLY A 44 -7.280 5.109 3.178 1.00 22.35 N ATOM 681 CA GLY A 44 -7.431 6.563 3.216 1.00 61.10 C ATOM 682 C GLY A 44 -8.069 7.070 4.510 1.00 72.34 C ATOM 683 O GLY A 44 -7.858 8.219 4.910 1.00 22.15 O ATOM 0 H GLY A 44 -7.795 4.645 2.430 1.00 22.35 H new ATOM 0 HA2 GLY A 44 -6.452 7.027 3.096 1.00 61.10 H new ATOM 0 HA3 GLY A 44 -8.040 6.881 2.370 1.00 61.10 H new ATOM 687 N ASN A 45 -8.849 6.209 5.163 1.00 44.20 N ATOM 688 CA ASN A 45 -9.515 6.553 6.428 1.00 23.43 C ATOM 689 C ASN A 45 -8.612 6.272 7.647 1.00 63.42 C ATOM 690 O ASN A 45 -9.043 6.396 8.796 1.00 20.11 O ATOM 691 CB ASN A 45 -10.830 5.773 6.558 1.00 42.43 C ATOM 692 CG ASN A 45 -11.871 6.191 5.529 1.00 23.24 C ATOM 693 OD1 ASN A 45 -11.548 6.616 4.425 1.00 23.43 O ATOM 694 ND2 ASN A 45 -13.135 6.074 5.885 1.00 2.21 N ATOM 0 H ASN A 45 -9.039 5.261 4.838 1.00 44.20 H new ATOM 0 HA ASN A 45 -9.725 7.623 6.411 1.00 23.43 H new ATOM 0 HB2 ASN A 45 -10.627 4.708 6.450 1.00 42.43 H new ATOM 0 HB3 ASN A 45 -11.236 5.920 7.559 1.00 42.43 H new ATOM 0 HD21 ASN A 45 -13.875 6.340 5.235 1.00 2.21 H new ATOM 0 HD22 ASN A 45 -13.373 5.717 6.810 1.00 2.21 H new ATOM 701 N LEU A 46 -7.365 5.886 7.390 1.00 62.04 N ATOM 702 CA LEU A 46 -6.380 5.658 8.456 1.00 43.23 C ATOM 703 C LEU A 46 -5.524 6.916 8.698 1.00 12.54 C ATOM 704 O LEU A 46 -5.388 7.764 7.813 1.00 4.33 O ATOM 705 CB LEU A 46 -5.467 4.478 8.085 1.00 35.10 C ATOM 706 CG LEU A 46 -6.161 3.106 8.003 1.00 0.51 C ATOM 707 CD1 LEU A 46 -5.203 2.042 7.468 1.00 61.42 C ATOM 708 CD2 LEU A 46 -6.705 2.697 9.372 1.00 64.10 C ATOM 0 H LEU A 46 -7.007 5.723 6.449 1.00 62.04 H new ATOM 0 HA LEU A 46 -6.922 5.427 9.373 1.00 43.23 H new ATOM 0 HB2 LEU A 46 -5.002 4.689 7.122 1.00 35.10 H new ATOM 0 HB3 LEU A 46 -4.664 4.417 8.820 1.00 35.10 H new ATOM 0 HG LEU A 46 -6.997 3.190 7.309 1.00 0.51 H new ATOM 0 HD11 LEU A 46 -5.716 1.082 7.419 1.00 61.42 H new ATOM 0 HD12 LEU A 46 -4.866 2.324 6.471 1.00 61.42 H new ATOM 0 HD13 LEU A 46 -4.343 1.960 8.132 1.00 61.42 H new ATOM 0 HD21 LEU A 46 -7.192 1.725 9.294 1.00 64.10 H new ATOM 0 HD22 LEU A 46 -5.884 2.636 10.086 1.00 64.10 H new ATOM 0 HD23 LEU A 46 -7.428 3.439 9.713 1.00 64.10 H new ATOM 720 N PRO A 47 -4.946 7.071 9.909 1.00 20.43 N ATOM 721 CA PRO A 47 -4.020 8.179 10.202 1.00 23.42 C ATOM 722 C PRO A 47 -2.703 8.068 9.409 1.00 51.40 C ATOM 723 O PRO A 47 -2.334 6.988 8.937 1.00 33.15 O ATOM 724 CB PRO A 47 -3.772 8.054 11.714 1.00 22.13 C ATOM 725 CG PRO A 47 -4.065 6.627 12.032 1.00 1.54 C ATOM 726 CD PRO A 47 -5.160 6.204 11.086 1.00 55.45 C ATOM 0 HA PRO A 47 -4.433 9.145 9.914 1.00 23.42 H new ATOM 0 HB2 PRO A 47 -2.744 8.313 11.969 1.00 22.13 H new ATOM 0 HB3 PRO A 47 -4.419 8.726 12.278 1.00 22.13 H new ATOM 0 HG2 PRO A 47 -3.177 6.008 11.902 1.00 1.54 H new ATOM 0 HG3 PRO A 47 -4.382 6.516 13.069 1.00 1.54 H new ATOM 0 HD2 PRO A 47 -5.082 5.148 10.827 1.00 55.45 H new ATOM 0 HD3 PRO A 47 -6.148 6.354 11.522 1.00 55.45 H new ATOM 734 N GLU A 48 -1.988 9.190 9.288 1.00 35.22 N ATOM 735 CA GLU A 48 -0.772 9.266 8.465 1.00 44.32 C ATOM 736 C GLU A 48 0.252 8.180 8.840 1.00 72.41 C ATOM 737 O GLU A 48 0.873 7.571 7.969 1.00 43.04 O ATOM 738 CB GLU A 48 -0.133 10.655 8.597 1.00 41.22 C ATOM 739 CG GLU A 48 -1.078 11.803 8.252 1.00 74.14 C ATOM 740 CD GLU A 48 -0.433 13.171 8.419 1.00 64.44 C ATOM 741 OE1 GLU A 48 -0.318 13.639 9.570 1.00 62.20 O ATOM 742 OE2 GLU A 48 -0.042 13.787 7.407 1.00 15.21 O ATOM 0 H GLU A 48 -2.231 10.065 9.752 1.00 35.22 H new ATOM 0 HA GLU A 48 -1.068 9.094 7.430 1.00 44.32 H new ATOM 0 HB2 GLU A 48 0.224 10.785 9.619 1.00 41.22 H new ATOM 0 HB3 GLU A 48 0.740 10.707 7.946 1.00 41.22 H new ATOM 0 HG2 GLU A 48 -1.418 11.690 7.222 1.00 74.14 H new ATOM 0 HG3 GLU A 48 -1.961 11.743 8.888 1.00 74.14 H new ATOM 749 N GLY A 49 0.416 7.945 10.138 1.00 4.13 N ATOM 750 CA GLY A 49 1.332 6.911 10.613 1.00 2.32 C ATOM 751 C GLY A 49 0.650 5.901 11.531 1.00 1.31 C ATOM 752 O GLY A 49 0.960 5.820 12.719 1.00 72.11 O ATOM 0 H GLY A 49 -0.070 8.453 10.877 1.00 4.13 H new ATOM 0 HA2 GLY A 49 1.759 6.388 9.757 1.00 2.32 H new ATOM 0 HA3 GLY A 49 2.159 7.380 11.146 1.00 2.32 H new ATOM 756 N SER A 50 -0.291 5.135 10.981 1.00 42.51 N ATOM 757 CA SER A 50 -1.024 4.121 11.756 1.00 63.04 C ATOM 758 C SER A 50 -0.132 2.934 12.149 1.00 53.51 C ATOM 759 O SER A 50 0.952 2.746 11.595 1.00 21.51 O ATOM 760 CB SER A 50 -2.224 3.601 10.950 1.00 31.32 C ATOM 761 OG SER A 50 -2.909 2.571 11.650 1.00 62.32 O ATOM 0 H SER A 50 -0.568 5.193 10.001 1.00 42.51 H new ATOM 0 HA SER A 50 -1.366 4.606 12.670 1.00 63.04 H new ATOM 0 HB2 SER A 50 -2.910 4.423 10.745 1.00 31.32 H new ATOM 0 HB3 SER A 50 -1.882 3.223 9.987 1.00 31.32 H new ATOM 0 HG SER A 50 -3.669 2.261 11.114 1.00 62.32 H new ATOM 767 N LYS A 51 -0.595 2.134 13.117 1.00 21.42 N ATOM 768 CA LYS A 51 0.090 0.886 13.482 1.00 62.31 C ATOM 769 C LYS A 51 0.147 -0.062 12.275 1.00 31.51 C ATOM 770 O LYS A 51 1.080 -0.854 12.124 1.00 11.41 O ATOM 771 CB LYS A 51 -0.622 0.207 14.663 1.00 24.13 C ATOM 772 CG LYS A 51 0.046 -1.086 15.124 1.00 64.14 C ATOM 773 CD LYS A 51 -0.614 -1.659 16.376 1.00 41.03 C ATOM 774 CE LYS A 51 0.069 -2.942 16.837 1.00 72.13 C ATOM 775 NZ LYS A 51 1.524 -2.745 17.084 1.00 74.25 N ATOM 0 H LYS A 51 -1.437 2.326 13.660 1.00 21.42 H new ATOM 0 HA LYS A 51 1.109 1.126 13.786 1.00 62.31 H new ATOM 0 HB2 LYS A 51 -0.661 0.903 15.501 1.00 24.13 H new ATOM 0 HB3 LYS A 51 -1.652 -0.008 14.379 1.00 24.13 H new ATOM 0 HG2 LYS A 51 0.001 -1.823 14.322 1.00 64.14 H new ATOM 0 HG3 LYS A 51 1.101 -0.897 15.325 1.00 64.14 H new ATOM 0 HD2 LYS A 51 -0.579 -0.920 17.177 1.00 41.03 H new ATOM 0 HD3 LYS A 51 -1.666 -1.859 16.173 1.00 41.03 H new ATOM 0 HE2 LYS A 51 -0.408 -3.298 17.750 1.00 72.13 H new ATOM 0 HE3 LYS A 51 -0.068 -3.717 16.082 1.00 72.13 H new ATOM 0 HZ1 LYS A 51 1.899 -3.558 17.614 1.00 74.25 H new ATOM 0 HZ2 LYS A 51 2.023 -2.664 16.175 1.00 74.25 H new ATOM 0 HZ3 LYS A 51 1.668 -1.876 17.636 1.00 74.25 H new ATOM 789 N LEU A 52 -0.863 0.038 11.419 1.00 21.34 N ATOM 790 CA LEU A 52 -0.891 -0.689 10.154 1.00 10.31 C ATOM 791 C LEU A 52 -0.162 0.108 9.060 1.00 14.31 C ATOM 792 O LEU A 52 -0.529 1.253 8.771 1.00 60.23 O ATOM 793 CB LEU A 52 -2.344 -0.931 9.724 1.00 20.12 C ATOM 794 CG LEU A 52 -2.517 -1.632 8.366 1.00 40.43 C ATOM 795 CD1 LEU A 52 -2.051 -3.083 8.440 1.00 24.14 C ATOM 796 CD2 LEU A 52 -3.963 -1.549 7.890 1.00 70.31 C ATOM 0 H LEU A 52 -1.683 0.623 11.580 1.00 21.34 H new ATOM 0 HA LEU A 52 -0.386 -1.645 10.293 1.00 10.31 H new ATOM 0 HB2 LEU A 52 -2.838 -1.530 10.489 1.00 20.12 H new ATOM 0 HB3 LEU A 52 -2.860 0.028 9.688 1.00 20.12 H new ATOM 0 HG LEU A 52 -1.893 -1.114 7.638 1.00 40.43 H new ATOM 0 HD11 LEU A 52 -2.183 -3.558 7.468 1.00 24.14 H new ATOM 0 HD12 LEU A 52 -0.998 -3.113 8.718 1.00 24.14 H new ATOM 0 HD13 LEU A 52 -2.639 -3.616 9.187 1.00 24.14 H new ATOM 0 HD21 LEU A 52 -4.059 -2.052 6.928 1.00 70.31 H new ATOM 0 HD22 LEU A 52 -4.614 -2.032 8.618 1.00 70.31 H new ATOM 0 HD23 LEU A 52 -4.251 -0.503 7.783 1.00 70.31 H new ATOM 808 N PRO A 53 0.881 -0.462 8.429 1.00 2.12 N ATOM 809 CA PRO A 53 1.573 0.226 7.338 1.00 24.30 C ATOM 810 C PRO A 53 0.727 0.252 6.053 1.00 72.54 C ATOM 811 O PRO A 53 0.747 -0.685 5.255 1.00 14.13 O ATOM 812 CB PRO A 53 2.849 -0.604 7.152 1.00 30.01 C ATOM 813 CG PRO A 53 2.488 -1.975 7.630 1.00 43.24 C ATOM 814 CD PRO A 53 1.461 -1.788 8.721 1.00 25.23 C ATOM 0 HA PRO A 53 1.774 1.274 7.560 1.00 24.30 H new ATOM 0 HB2 PRO A 53 3.162 -0.619 6.108 1.00 30.01 H new ATOM 0 HB3 PRO A 53 3.677 -0.190 7.727 1.00 30.01 H new ATOM 0 HG2 PRO A 53 2.085 -2.577 6.816 1.00 43.24 H new ATOM 0 HG3 PRO A 53 3.366 -2.498 8.008 1.00 43.24 H new ATOM 0 HD2 PRO A 53 0.703 -2.571 8.697 1.00 25.23 H new ATOM 0 HD3 PRO A 53 1.917 -1.817 9.710 1.00 25.23 H new ATOM 822 N TRP A 54 -0.007 1.346 5.860 1.00 63.33 N ATOM 823 CA TRP A 54 -0.903 1.495 4.704 1.00 21.01 C ATOM 824 C TRP A 54 -0.131 1.893 3.438 1.00 13.33 C ATOM 825 O TRP A 54 -0.498 1.518 2.325 1.00 62.23 O ATOM 826 CB TRP A 54 -1.999 2.533 5.012 1.00 23.11 C ATOM 827 CG TRP A 54 -1.474 3.891 5.378 1.00 2.12 C ATOM 828 CD1 TRP A 54 -1.168 4.344 6.630 1.00 34.52 C ATOM 829 CD2 TRP A 54 -1.200 4.977 4.482 1.00 71.44 C ATOM 830 NE1 TRP A 54 -0.712 5.638 6.564 1.00 11.44 N ATOM 831 CE2 TRP A 54 -0.728 6.049 5.261 1.00 42.04 C ATOM 832 CE3 TRP A 54 -1.309 5.145 3.099 1.00 45.24 C ATOM 833 CZ2 TRP A 54 -0.361 7.271 4.702 1.00 42.51 C ATOM 834 CZ3 TRP A 54 -0.945 6.357 2.546 1.00 1.12 C ATOM 835 CH2 TRP A 54 -0.476 7.407 3.347 1.00 54.44 C ATOM 0 H TRP A 54 -0.002 2.148 6.490 1.00 63.33 H new ATOM 0 HA TRP A 54 -1.369 0.528 4.516 1.00 21.01 H new ATOM 0 HB2 TRP A 54 -2.648 2.629 4.141 1.00 23.11 H new ATOM 0 HB3 TRP A 54 -2.616 2.162 5.830 1.00 23.11 H new ATOM 0 HD1 TRP A 54 -1.270 3.769 7.539 1.00 34.52 H new ATOM 0 HE1 TRP A 54 -0.410 6.201 7.359 1.00 11.44 H new ATOM 0 HE3 TRP A 54 -1.671 4.342 2.474 1.00 45.24 H new ATOM 0 HZ2 TRP A 54 0.001 8.081 5.317 1.00 42.51 H new ATOM 0 HZ3 TRP A 54 -1.023 6.498 1.478 1.00 1.12 H new ATOM 0 HH2 TRP A 54 -0.200 8.343 2.884 1.00 54.44 H new ATOM 846 N PHE A 55 0.955 2.637 3.625 1.00 71.44 N ATOM 847 CA PHE A 55 1.788 3.108 2.512 1.00 41.14 C ATOM 848 C PHE A 55 2.435 1.953 1.722 1.00 64.54 C ATOM 849 O PHE A 55 2.987 2.168 0.643 1.00 11.43 O ATOM 850 CB PHE A 55 2.867 4.072 3.035 1.00 14.33 C ATOM 851 CG PHE A 55 3.664 3.543 4.205 1.00 72.34 C ATOM 852 CD1 PHE A 55 4.793 2.761 4.005 1.00 25.35 C ATOM 853 CD2 PHE A 55 3.285 3.840 5.509 1.00 3.22 C ATOM 854 CE1 PHE A 55 5.523 2.287 5.077 1.00 43.24 C ATOM 855 CE2 PHE A 55 4.013 3.367 6.583 1.00 45.24 C ATOM 856 CZ PHE A 55 5.132 2.590 6.367 1.00 20.24 C ATOM 0 H PHE A 55 1.285 2.931 4.544 1.00 71.44 H new ATOM 0 HA PHE A 55 1.132 3.634 1.818 1.00 41.14 H new ATOM 0 HB2 PHE A 55 3.553 4.307 2.221 1.00 14.33 H new ATOM 0 HB3 PHE A 55 2.390 5.007 3.329 1.00 14.33 H new ATOM 0 HD1 PHE A 55 5.104 2.520 2.999 1.00 25.35 H new ATOM 0 HD2 PHE A 55 2.410 4.448 5.684 1.00 3.22 H new ATOM 0 HE1 PHE A 55 6.400 1.679 4.907 1.00 43.24 H new ATOM 0 HE2 PHE A 55 3.707 3.605 7.591 1.00 45.24 H new ATOM 0 HZ PHE A 55 5.702 2.219 7.206 1.00 20.24 H new ATOM 866 N ARG A 56 2.358 0.733 2.256 1.00 33.44 N ATOM 867 CA ARG A 56 2.946 -0.440 1.595 1.00 52.22 C ATOM 868 C ARG A 56 1.952 -1.130 0.648 1.00 3.25 C ATOM 869 O ARG A 56 2.220 -2.220 0.149 1.00 53.32 O ATOM 870 CB ARG A 56 3.465 -1.439 2.642 1.00 42.24 C ATOM 871 CG ARG A 56 4.587 -0.874 3.506 1.00 4.41 C ATOM 872 CD ARG A 56 5.276 -1.941 4.354 1.00 61.21 C ATOM 873 NE ARG A 56 6.432 -1.389 5.060 1.00 54.01 N ATOM 874 CZ ARG A 56 7.515 -0.972 4.463 1.00 30.43 C ATOM 875 NH1 ARG A 56 7.681 -1.162 3.188 1.00 21.34 N ATOM 876 NH2 ARG A 56 8.454 -0.400 5.144 1.00 70.13 N ATOM 0 H ARG A 56 1.896 0.529 3.142 1.00 33.44 H new ATOM 0 HA ARG A 56 3.781 -0.087 0.990 1.00 52.22 H new ATOM 0 HB2 ARG A 56 2.639 -1.744 3.284 1.00 42.24 H new ATOM 0 HB3 ARG A 56 3.822 -2.335 2.134 1.00 42.24 H new ATOM 0 HG2 ARG A 56 5.326 -0.393 2.865 1.00 4.41 H new ATOM 0 HG3 ARG A 56 4.182 -0.102 4.160 1.00 4.41 H new ATOM 0 HD2 ARG A 56 4.568 -2.350 5.074 1.00 61.21 H new ATOM 0 HD3 ARG A 56 5.595 -2.766 3.717 1.00 61.21 H new ATOM 0 HE ARG A 56 6.389 -1.326 6.077 1.00 54.01 H new ATOM 0 HH11 ARG A 56 6.962 -1.640 2.646 1.00 21.34 H new ATOM 0 HH12 ARG A 56 8.531 -0.833 2.730 1.00 21.34 H new ATOM 0 HH21 ARG A 56 8.349 -0.274 6.151 1.00 70.13 H new ATOM 0 HH22 ARG A 56 9.299 -0.075 4.674 1.00 70.13 H new ATOM 890 N VAL A 57 0.807 -0.496 0.405 1.00 31.14 N ATOM 891 CA VAL A 57 -0.187 -1.024 -0.541 1.00 40.54 C ATOM 892 C VAL A 57 -0.527 0.017 -1.622 1.00 54.13 C ATOM 893 O VAL A 57 -1.227 0.998 -1.362 1.00 61.42 O ATOM 894 CB VAL A 57 -1.485 -1.464 0.184 1.00 64.44 C ATOM 895 CG1 VAL A 57 -2.459 -2.127 -0.791 1.00 71.53 C ATOM 896 CG2 VAL A 57 -1.165 -2.397 1.352 1.00 45.12 C ATOM 0 H VAL A 57 0.540 0.384 0.847 1.00 31.14 H new ATOM 0 HA VAL A 57 0.257 -1.899 -1.016 1.00 40.54 H new ATOM 0 HB VAL A 57 -1.966 -0.572 0.585 1.00 64.44 H new ATOM 0 HG11 VAL A 57 -3.361 -2.426 -0.257 1.00 71.53 H new ATOM 0 HG12 VAL A 57 -2.721 -1.422 -1.580 1.00 71.53 H new ATOM 0 HG13 VAL A 57 -1.990 -3.006 -1.232 1.00 71.53 H new ATOM 0 HG21 VAL A 57 -2.091 -2.693 1.846 1.00 45.12 H new ATOM 0 HG22 VAL A 57 -0.653 -3.284 0.979 1.00 45.12 H new ATOM 0 HG23 VAL A 57 -0.523 -1.880 2.065 1.00 45.12 H new ATOM 906 N ILE A 58 -0.020 -0.204 -2.834 1.00 41.02 N ATOM 907 CA ILE A 58 -0.198 0.736 -3.949 1.00 60.25 C ATOM 908 C ILE A 58 -1.027 0.124 -5.093 1.00 42.02 C ATOM 909 O ILE A 58 -1.622 -0.948 -4.946 1.00 51.54 O ATOM 910 CB ILE A 58 1.179 1.205 -4.493 1.00 24.42 C ATOM 911 CG1 ILE A 58 2.035 0.000 -4.915 1.00 54.03 C ATOM 912 CG2 ILE A 58 1.910 2.048 -3.447 1.00 21.34 C ATOM 913 CD1 ILE A 58 3.410 0.376 -5.431 1.00 15.32 C ATOM 0 H ILE A 58 0.523 -1.033 -3.074 1.00 41.02 H new ATOM 0 HA ILE A 58 -0.746 1.594 -3.559 1.00 60.25 H new ATOM 0 HB ILE A 58 1.007 1.825 -5.373 1.00 24.42 H new ATOM 0 HG12 ILE A 58 2.148 -0.670 -4.062 1.00 54.03 H new ATOM 0 HG13 ILE A 58 1.506 -0.556 -5.689 1.00 54.03 H new ATOM 0 HG21 ILE A 58 2.873 2.368 -3.846 1.00 21.34 H new ATOM 0 HG22 ILE A 58 1.310 2.924 -3.202 1.00 21.34 H new ATOM 0 HG23 ILE A 58 2.069 1.454 -2.547 1.00 21.34 H new ATOM 0 HD11 ILE A 58 3.954 -0.527 -5.709 1.00 15.32 H new ATOM 0 HD12 ILE A 58 3.307 1.021 -6.304 1.00 15.32 H new ATOM 0 HD13 ILE A 58 3.959 0.905 -4.652 1.00 15.32 H new ATOM 925 N ASN A 59 -1.077 0.816 -6.233 1.00 3.00 N ATOM 926 CA ASN A 59 -1.870 0.356 -7.380 1.00 74.11 C ATOM 927 C ASN A 59 -1.064 -0.587 -8.293 1.00 0.43 C ATOM 928 O ASN A 59 0.152 -0.726 -8.144 1.00 1.13 O ATOM 929 CB ASN A 59 -2.407 1.558 -8.171 1.00 42.24 C ATOM 930 CG ASN A 59 -1.314 2.463 -8.722 1.00 41.24 C ATOM 931 OD1 ASN A 59 -0.237 2.016 -9.096 1.00 23.53 O ATOM 932 ND2 ASN A 59 -1.584 3.751 -8.773 1.00 72.41 N ATOM 0 H ASN A 59 -0.581 1.694 -6.389 1.00 3.00 H new ATOM 0 HA ASN A 59 -2.714 -0.216 -6.994 1.00 74.11 H new ATOM 0 HB2 ASN A 59 -3.017 1.195 -8.998 1.00 42.24 H new ATOM 0 HB3 ASN A 59 -3.061 2.144 -7.525 1.00 42.24 H new ATOM 0 HD21 ASN A 59 -0.887 4.404 -9.131 1.00 72.41 H new ATOM 0 HD22 ASN A 59 -2.490 4.095 -8.455 1.00 72.41 H new ATOM 939 N SER A 60 -1.750 -1.223 -9.246 1.00 4.10 N ATOM 940 CA SER A 60 -1.114 -2.208 -10.141 1.00 4.03 C ATOM 941 C SER A 60 -0.019 -1.581 -11.024 1.00 35.41 C ATOM 942 O SER A 60 0.896 -2.274 -11.474 1.00 1.01 O ATOM 943 CB SER A 60 -2.162 -2.894 -11.032 1.00 3.32 C ATOM 944 OG SER A 60 -1.574 -3.904 -11.843 1.00 52.34 O ATOM 0 H SER A 60 -2.744 -1.078 -9.422 1.00 4.10 H new ATOM 0 HA SER A 60 -0.640 -2.949 -9.497 1.00 4.03 H new ATOM 0 HB2 SER A 60 -2.940 -3.334 -10.408 1.00 3.32 H new ATOM 0 HB3 SER A 60 -2.644 -2.151 -11.667 1.00 3.32 H new ATOM 0 HG SER A 60 -2.266 -4.323 -12.397 1.00 52.34 H new ATOM 950 N GLN A 61 -0.111 -0.271 -11.265 1.00 22.02 N ATOM 951 CA GLN A 61 0.897 0.443 -12.068 1.00 33.45 C ATOM 952 C GLN A 61 2.219 0.615 -11.303 1.00 33.22 C ATOM 953 O GLN A 61 3.233 1.019 -11.879 1.00 45.32 O ATOM 954 CB GLN A 61 0.369 1.825 -12.486 1.00 34.13 C ATOM 955 CG GLN A 61 -0.808 1.775 -13.454 1.00 21.41 C ATOM 956 CD GLN A 61 -0.457 1.162 -14.802 1.00 55.34 C ATOM 957 OE1 GLN A 61 -1.295 0.538 -15.448 1.00 23.44 O ATOM 958 NE2 GLN A 61 0.768 1.353 -15.255 1.00 44.01 N ATOM 0 H GLN A 61 -0.868 0.319 -10.919 1.00 22.02 H new ATOM 0 HA GLN A 61 1.090 -0.162 -12.954 1.00 33.45 H new ATOM 0 HB2 GLN A 61 0.068 2.372 -11.593 1.00 34.13 H new ATOM 0 HB3 GLN A 61 1.181 2.388 -12.947 1.00 34.13 H new ATOM 0 HG2 GLN A 61 -1.617 1.201 -13.002 1.00 21.41 H new ATOM 0 HG3 GLN A 61 -1.184 2.786 -13.610 1.00 21.41 H new ATOM 0 HE21 GLN A 61 1.443 1.875 -14.696 1.00 44.01 H new ATOM 0 HE22 GLN A 61 1.040 0.978 -16.164 1.00 44.01 H new ATOM 967 N GLY A 62 2.203 0.310 -10.010 1.00 4.34 N ATOM 968 CA GLY A 62 3.373 0.534 -9.177 1.00 72.33 C ATOM 969 C GLY A 62 3.561 2.005 -8.849 1.00 72.53 C ATOM 970 O GLY A 62 4.664 2.538 -8.934 1.00 62.35 O ATOM 0 H GLY A 62 1.401 -0.089 -9.522 1.00 4.34 H new ATOM 0 HA2 GLY A 62 3.275 -0.035 -8.252 1.00 72.33 H new ATOM 0 HA3 GLY A 62 4.260 0.160 -9.688 1.00 72.33 H new ATOM 974 N LYS A 63 2.465 2.667 -8.496 1.00 51.54 N ATOM 975 CA LYS A 63 2.480 4.096 -8.177 1.00 63.25 C ATOM 976 C LYS A 63 1.652 4.395 -6.919 1.00 21.11 C ATOM 977 O LYS A 63 0.788 3.609 -6.528 1.00 45.01 O ATOM 978 CB LYS A 63 1.930 4.909 -9.361 1.00 24.10 C ATOM 979 CG LYS A 63 2.799 4.851 -10.615 1.00 34.43 C ATOM 980 CD LYS A 63 2.225 5.694 -11.751 1.00 54.23 C ATOM 981 CE LYS A 63 3.146 5.706 -12.966 1.00 70.44 C ATOM 982 NZ LYS A 63 2.586 6.507 -14.085 1.00 5.35 N ATOM 0 H LYS A 63 1.544 2.234 -8.422 1.00 51.54 H new ATOM 0 HA LYS A 63 3.514 4.384 -7.985 1.00 63.25 H new ATOM 0 HB2 LYS A 63 0.933 4.544 -9.606 1.00 24.10 H new ATOM 0 HB3 LYS A 63 1.822 5.949 -9.054 1.00 24.10 H new ATOM 0 HG2 LYS A 63 3.803 5.201 -10.376 1.00 34.43 H new ATOM 0 HG3 LYS A 63 2.892 3.816 -10.944 1.00 34.43 H new ATOM 0 HD2 LYS A 63 1.249 5.302 -12.038 1.00 54.23 H new ATOM 0 HD3 LYS A 63 2.068 6.715 -11.403 1.00 54.23 H new ATOM 0 HE2 LYS A 63 4.116 6.112 -12.681 1.00 70.44 H new ATOM 0 HE3 LYS A 63 3.315 4.683 -13.302 1.00 70.44 H new ATOM 0 HZ1 LYS A 63 3.245 6.488 -14.890 1.00 5.35 H new ATOM 0 HZ2 LYS A 63 1.672 6.105 -14.376 1.00 5.35 H new ATOM 0 HZ3 LYS A 63 2.449 7.490 -13.774 1.00 5.35 H new ATOM 996 N ILE A 64 1.923 5.540 -6.298 1.00 64.55 N ATOM 997 CA ILE A 64 1.179 5.980 -5.118 1.00 15.32 C ATOM 998 C ILE A 64 -0.307 6.195 -5.455 1.00 71.54 C ATOM 999 O ILE A 64 -0.644 6.827 -6.459 1.00 51.35 O ATOM 1000 CB ILE A 64 1.776 7.291 -4.537 1.00 12.04 C ATOM 1001 CG1 ILE A 64 3.245 7.076 -4.128 1.00 10.44 C ATOM 1002 CG2 ILE A 64 0.955 7.783 -3.344 1.00 61.53 C ATOM 1003 CD1 ILE A 64 3.906 8.309 -3.544 1.00 25.03 C ATOM 0 H ILE A 64 2.657 6.184 -6.594 1.00 64.55 H new ATOM 0 HA ILE A 64 1.263 5.194 -4.368 1.00 15.32 H new ATOM 0 HB ILE A 64 1.738 8.056 -5.313 1.00 12.04 H new ATOM 0 HG12 ILE A 64 3.294 6.269 -3.397 1.00 10.44 H new ATOM 0 HG13 ILE A 64 3.811 6.751 -5.001 1.00 10.44 H new ATOM 0 HG21 ILE A 64 1.393 8.702 -2.955 1.00 61.53 H new ATOM 0 HG22 ILE A 64 -0.070 7.976 -3.662 1.00 61.53 H new ATOM 0 HG23 ILE A 64 0.955 7.022 -2.563 1.00 61.53 H new ATOM 0 HD11 ILE A 64 4.938 8.078 -3.281 1.00 25.03 H new ATOM 0 HD12 ILE A 64 3.890 9.113 -4.280 1.00 25.03 H new ATOM 0 HD13 ILE A 64 3.365 8.623 -2.651 1.00 25.03 H new ATOM 1015 N SER A 65 -1.188 5.663 -4.613 1.00 53.14 N ATOM 1016 CA SER A 65 -2.637 5.766 -4.832 1.00 45.13 C ATOM 1017 C SER A 65 -3.155 7.165 -4.480 1.00 32.04 C ATOM 1018 O SER A 65 -3.911 7.770 -5.243 1.00 13.23 O ATOM 1019 CB SER A 65 -3.374 4.726 -3.985 1.00 2.34 C ATOM 1020 OG SER A 65 -3.102 4.911 -2.607 1.00 33.33 O ATOM 0 H SER A 65 -0.928 5.154 -3.768 1.00 53.14 H new ATOM 0 HA SER A 65 -2.826 5.581 -5.889 1.00 45.13 H new ATOM 0 HB2 SER A 65 -4.447 4.802 -4.161 1.00 2.34 H new ATOM 0 HB3 SER A 65 -3.071 3.724 -4.288 1.00 2.34 H new ATOM 0 HG SER A 65 -3.453 4.150 -2.099 1.00 33.33 H new ATOM 1026 N LEU A 66 -2.753 7.665 -3.314 1.00 54.42 N ATOM 1027 CA LEU A 66 -3.146 9.004 -2.867 1.00 21.34 C ATOM 1028 C LEU A 66 -2.518 10.101 -3.745 1.00 10.53 C ATOM 1029 O LEU A 66 -1.485 9.891 -4.384 1.00 1.11 O ATOM 1030 CB LEU A 66 -2.759 9.206 -1.397 1.00 44.11 C ATOM 1031 CG LEU A 66 -3.454 8.264 -0.399 1.00 12.20 C ATOM 1032 CD1 LEU A 66 -3.053 8.606 1.032 1.00 53.35 C ATOM 1033 CD2 LEU A 66 -4.975 8.322 -0.560 1.00 12.13 C ATOM 0 H LEU A 66 -2.154 7.164 -2.658 1.00 54.42 H new ATOM 0 HA LEU A 66 -4.229 9.085 -2.964 1.00 21.34 H new ATOM 0 HB2 LEU A 66 -1.681 9.078 -1.301 1.00 44.11 H new ATOM 0 HB3 LEU A 66 -2.984 10.235 -1.117 1.00 44.11 H new ATOM 0 HG LEU A 66 -3.129 7.246 -0.614 1.00 12.20 H new ATOM 0 HD11 LEU A 66 -3.555 7.928 1.722 1.00 53.35 H new ATOM 0 HD12 LEU A 66 -1.974 8.502 1.142 1.00 53.35 H new ATOM 0 HD13 LEU A 66 -3.343 9.633 1.256 1.00 53.35 H new ATOM 0 HD21 LEU A 66 -5.443 7.647 0.157 1.00 12.13 H new ATOM 0 HD22 LEU A 66 -5.321 9.340 -0.380 1.00 12.13 H new ATOM 0 HD23 LEU A 66 -5.246 8.021 -1.572 1.00 12.13 H new ATOM 1045 N LYS A 67 -3.142 11.276 -3.761 1.00 24.12 N ATOM 1046 CA LYS A 67 -2.739 12.358 -4.670 1.00 34.45 C ATOM 1047 C LYS A 67 -2.595 13.706 -3.941 1.00 65.30 C ATOM 1048 O LYS A 67 -3.095 13.882 -2.829 1.00 14.21 O ATOM 1049 CB LYS A 67 -3.762 12.464 -5.810 1.00 65.55 C ATOM 1050 CG LYS A 67 -5.206 12.619 -5.329 1.00 55.51 C ATOM 1051 CD LYS A 67 -6.212 12.466 -6.467 1.00 3.31 C ATOM 1052 CE LYS A 67 -6.055 13.550 -7.526 1.00 24.43 C ATOM 1053 NZ LYS A 67 -6.259 14.915 -6.966 1.00 14.00 N ATOM 0 H LYS A 67 -3.930 11.508 -3.156 1.00 24.12 H new ATOM 0 HA LYS A 67 -1.757 12.116 -5.076 1.00 34.45 H new ATOM 0 HB2 LYS A 67 -3.505 13.316 -6.439 1.00 65.55 H new ATOM 0 HB3 LYS A 67 -3.690 11.574 -6.435 1.00 65.55 H new ATOM 0 HG2 LYS A 67 -5.413 11.874 -4.561 1.00 55.51 H new ATOM 0 HG3 LYS A 67 -5.330 13.598 -4.866 1.00 55.51 H new ATOM 0 HD2 LYS A 67 -6.087 11.487 -6.930 1.00 3.31 H new ATOM 0 HD3 LYS A 67 -7.223 12.500 -6.062 1.00 3.31 H new ATOM 0 HE2 LYS A 67 -5.060 13.484 -7.966 1.00 24.43 H new ATOM 0 HE3 LYS A 67 -6.771 13.378 -8.329 1.00 24.43 H new ATOM 0 HZ1 LYS A 67 -6.346 15.600 -7.744 1.00 14.00 H new ATOM 0 HZ2 LYS A 67 -7.127 14.929 -6.394 1.00 14.00 H new ATOM 0 HZ3 LYS A 67 -5.447 15.170 -6.369 1.00 14.00 H new ATOM 1067 N GLY A 68 -1.896 14.650 -4.577 1.00 35.33 N ATOM 1068 CA GLY A 68 -1.673 15.968 -3.981 1.00 34.01 C ATOM 1069 C GLY A 68 -0.883 15.913 -2.674 1.00 30.54 C ATOM 1070 O GLY A 68 0.166 15.268 -2.602 1.00 60.21 O ATOM 0 H GLY A 68 -1.477 14.527 -5.499 1.00 35.33 H new ATOM 0 HA2 GLY A 68 -1.139 16.596 -4.694 1.00 34.01 H new ATOM 0 HA3 GLY A 68 -2.636 16.443 -3.796 1.00 34.01 H new ATOM 1074 N ARG A 69 -1.384 16.593 -1.639 1.00 4.53 N ATOM 1075 CA ARG A 69 -0.773 16.543 -0.301 1.00 13.42 C ATOM 1076 C ARG A 69 -0.622 15.096 0.191 1.00 21.05 C ATOM 1077 O ARG A 69 0.398 14.722 0.780 1.00 41.33 O ATOM 1078 CB ARG A 69 -1.625 17.330 0.708 1.00 30.30 C ATOM 1079 CG ARG A 69 -1.664 18.836 0.463 1.00 71.44 C ATOM 1080 CD ARG A 69 -2.545 19.546 1.490 1.00 22.34 C ATOM 1081 NE ARG A 69 -2.151 19.234 2.864 1.00 21.43 N ATOM 1082 CZ ARG A 69 -2.808 19.622 3.926 1.00 14.13 C ATOM 1083 NH1 ARG A 69 -3.864 20.364 3.823 1.00 3.23 N ATOM 1084 NH2 ARG A 69 -2.402 19.264 5.098 1.00 40.54 N ATOM 0 H ARG A 69 -2.212 17.186 -1.699 1.00 4.53 H new ATOM 0 HA ARG A 69 0.217 16.993 -0.378 1.00 13.42 H new ATOM 0 HB2 ARG A 69 -2.644 16.944 0.683 1.00 30.30 H new ATOM 0 HB3 ARG A 69 -1.239 17.147 1.711 1.00 30.30 H new ATOM 0 HG2 ARG A 69 -0.653 19.240 0.508 1.00 71.44 H new ATOM 0 HG3 ARG A 69 -2.041 19.033 -0.540 1.00 71.44 H new ATOM 0 HD2 ARG A 69 -2.488 20.623 1.333 1.00 22.34 H new ATOM 0 HD3 ARG A 69 -3.585 19.256 1.337 1.00 22.34 H new ATOM 0 HE ARG A 69 -1.308 18.677 3.003 1.00 21.43 H new ATOM 0 HH11 ARG A 69 -4.195 20.655 2.903 1.00 3.23 H new ATOM 0 HH12 ARG A 69 -4.365 20.658 4.662 1.00 3.23 H new ATOM 0 HH21 ARG A 69 -1.571 18.680 5.194 1.00 40.54 H new ATOM 0 HH22 ARG A 69 -2.912 19.565 5.928 1.00 40.54 H new ATOM 1098 N ASP A 70 -1.651 14.292 -0.054 1.00 34.52 N ATOM 1099 CA ASP A 70 -1.660 12.886 0.349 1.00 44.41 C ATOM 1100 C ASP A 70 -0.604 12.062 -0.410 1.00 1.31 C ATOM 1101 O ASP A 70 -0.107 11.057 0.102 1.00 44.22 O ATOM 1102 CB ASP A 70 -3.056 12.303 0.132 1.00 54.21 C ATOM 1103 CG ASP A 70 -4.086 12.918 1.062 1.00 65.11 C ATOM 1104 OD1 ASP A 70 -4.400 14.119 0.904 1.00 74.02 O ATOM 1105 OD2 ASP A 70 -4.584 12.202 1.959 1.00 3.31 O ATOM 0 H ASP A 70 -2.499 14.592 -0.535 1.00 34.52 H new ATOM 0 HA ASP A 70 -1.403 12.834 1.407 1.00 44.41 H new ATOM 0 HB2 ASP A 70 -3.359 12.467 -0.902 1.00 54.21 H new ATOM 0 HB3 ASP A 70 -3.026 11.225 0.289 1.00 54.21 H new ATOM 1110 N LEU A 71 -0.262 12.492 -1.624 1.00 73.30 N ATOM 1111 CA LEU A 71 0.792 11.832 -2.409 1.00 44.55 C ATOM 1112 C LEU A 71 2.145 11.967 -1.693 1.00 12.43 C ATOM 1113 O LEU A 71 2.830 10.975 -1.441 1.00 3.43 O ATOM 1114 CB LEU A 71 0.851 12.435 -3.830 1.00 54.35 C ATOM 1115 CG LEU A 71 1.727 11.692 -4.868 1.00 51.25 C ATOM 1116 CD1 LEU A 71 1.346 12.111 -6.287 1.00 23.11 C ATOM 1117 CD2 LEU A 71 3.219 11.951 -4.639 1.00 53.14 C ATOM 0 H LEU A 71 -0.695 13.291 -2.088 1.00 73.30 H new ATOM 0 HA LEU A 71 0.561 10.771 -2.500 1.00 44.55 H new ATOM 0 HB2 LEU A 71 -0.166 12.488 -4.219 1.00 54.35 H new ATOM 0 HB3 LEU A 71 1.215 13.459 -3.749 1.00 54.35 H new ATOM 0 HG LEU A 71 1.543 10.625 -4.742 1.00 51.25 H new ATOM 0 HD11 LEU A 71 1.972 11.579 -7.004 1.00 23.11 H new ATOM 0 HD12 LEU A 71 0.299 11.869 -6.469 1.00 23.11 H new ATOM 0 HD13 LEU A 71 1.495 13.185 -6.402 1.00 23.11 H new ATOM 0 HD21 LEU A 71 3.801 11.413 -5.387 1.00 53.14 H new ATOM 0 HD22 LEU A 71 3.420 13.019 -4.723 1.00 53.14 H new ATOM 0 HD23 LEU A 71 3.500 11.606 -3.644 1.00 53.14 H new ATOM 1129 N ASP A 72 2.516 13.205 -1.361 1.00 31.54 N ATOM 1130 CA ASP A 72 3.759 13.472 -0.628 1.00 24.12 C ATOM 1131 C ASP A 72 3.727 12.839 0.772 1.00 4.33 C ATOM 1132 O ASP A 72 4.763 12.462 1.321 1.00 22.31 O ATOM 1133 CB ASP A 72 4.005 14.978 -0.522 1.00 61.11 C ATOM 1134 CG ASP A 72 4.169 15.625 -1.884 1.00 10.35 C ATOM 1135 OD1 ASP A 72 5.020 15.159 -2.669 1.00 32.30 O ATOM 1136 OD2 ASP A 72 3.445 16.597 -2.181 1.00 1.34 O ATOM 0 H ASP A 72 1.975 14.040 -1.587 1.00 31.54 H new ATOM 0 HA ASP A 72 4.579 13.019 -1.186 1.00 24.12 H new ATOM 0 HB2 ASP A 72 3.172 15.445 0.003 1.00 61.11 H new ATOM 0 HB3 ASP A 72 4.899 15.158 0.075 1.00 61.11 H new ATOM 1141 N ARG A 73 2.528 12.728 1.337 1.00 25.55 N ATOM 1142 CA ARG A 73 2.323 12.038 2.617 1.00 75.20 C ATOM 1143 C ARG A 73 2.831 10.588 2.556 1.00 72.31 C ATOM 1144 O ARG A 73 3.706 10.187 3.332 1.00 53.13 O ATOM 1145 CB ARG A 73 0.829 12.075 2.973 1.00 60.11 C ATOM 1146 CG ARG A 73 0.418 11.162 4.124 1.00 65.41 C ATOM 1147 CD ARG A 73 -1.041 11.389 4.508 1.00 71.32 C ATOM 1148 NE ARG A 73 -1.221 12.697 5.132 1.00 15.15 N ATOM 1149 CZ ARG A 73 -2.255 13.477 4.968 1.00 25.31 C ATOM 1150 NH1 ARG A 73 -3.214 13.160 4.156 1.00 73.30 N ATOM 1151 NH2 ARG A 73 -2.311 14.594 5.616 1.00 44.51 N ATOM 0 H ARG A 73 1.674 13.109 0.928 1.00 25.55 H new ATOM 0 HA ARG A 73 2.895 12.549 3.391 1.00 75.20 H new ATOM 0 HB2 ARG A 73 0.557 13.099 3.227 1.00 60.11 H new ATOM 0 HB3 ARG A 73 0.253 11.802 2.089 1.00 60.11 H new ATOM 0 HG2 ARG A 73 0.564 10.121 3.837 1.00 65.41 H new ATOM 0 HG3 ARG A 73 1.058 11.348 4.987 1.00 65.41 H new ATOM 0 HD2 ARG A 73 -1.670 11.316 3.621 1.00 71.32 H new ATOM 0 HD3 ARG A 73 -1.366 10.607 5.194 1.00 71.32 H new ATOM 0 HE ARG A 73 -0.478 13.029 5.747 1.00 15.15 H new ATOM 0 HH11 ARG A 73 -3.170 12.287 3.631 1.00 73.30 H new ATOM 0 HH12 ARG A 73 -4.013 13.784 4.042 1.00 73.30 H new ATOM 0 HH21 ARG A 73 -1.553 14.857 6.246 1.00 44.51 H new ATOM 0 HH22 ARG A 73 -3.113 15.213 5.497 1.00 44.51 H new ATOM 1165 N GLN A 74 2.288 9.806 1.624 1.00 72.41 N ATOM 1166 CA GLN A 74 2.727 8.419 1.438 1.00 0.12 C ATOM 1167 C GLN A 74 4.198 8.377 0.998 1.00 14.53 C ATOM 1168 O GLN A 74 4.975 7.543 1.463 1.00 45.45 O ATOM 1169 CB GLN A 74 1.838 7.709 0.406 1.00 0.23 C ATOM 1170 CG GLN A 74 2.055 6.199 0.351 1.00 40.41 C ATOM 1171 CD GLN A 74 1.080 5.488 -0.575 1.00 72.34 C ATOM 1172 OE1 GLN A 74 -0.031 5.951 -0.803 1.00 44.41 O ATOM 1173 NE2 GLN A 74 1.472 4.343 -1.096 1.00 3.04 N ATOM 0 H GLN A 74 1.548 10.104 0.989 1.00 72.41 H new ATOM 0 HA GLN A 74 2.636 7.897 2.390 1.00 0.12 H new ATOM 0 HB2 GLN A 74 0.792 7.909 0.640 1.00 0.23 H new ATOM 0 HB3 GLN A 74 2.031 8.132 -0.580 1.00 0.23 H new ATOM 0 HG2 GLN A 74 3.074 5.996 0.020 1.00 40.41 H new ATOM 0 HG3 GLN A 74 1.958 5.787 1.356 1.00 40.41 H new ATOM 0 HE21 GLN A 74 2.403 3.981 -0.889 1.00 3.04 H new ATOM 0 HE22 GLN A 74 0.845 3.819 -1.706 1.00 3.04 H new ATOM 1182 N LYS A 75 4.563 9.299 0.108 1.00 11.25 N ATOM 1183 CA LYS A 75 5.946 9.457 -0.367 1.00 11.02 C ATOM 1184 C LYS A 75 6.955 9.505 0.795 1.00 3.23 C ATOM 1185 O LYS A 75 7.926 8.747 0.822 1.00 34.34 O ATOM 1186 CB LYS A 75 6.030 10.747 -1.199 1.00 24.12 C ATOM 1187 CG LYS A 75 7.434 11.146 -1.644 1.00 75.35 C ATOM 1188 CD LYS A 75 7.409 12.489 -2.374 1.00 44.10 C ATOM 1189 CE LYS A 75 8.791 12.932 -2.837 1.00 70.22 C ATOM 1190 NZ LYS A 75 8.749 14.274 -3.482 1.00 14.21 N ATOM 0 H LYS A 75 3.909 9.962 -0.308 1.00 11.25 H new ATOM 0 HA LYS A 75 6.207 8.591 -0.976 1.00 11.02 H new ATOM 0 HB2 LYS A 75 5.406 10.630 -2.085 1.00 24.12 H new ATOM 0 HB3 LYS A 75 5.606 11.564 -0.616 1.00 24.12 H new ATOM 0 HG2 LYS A 75 8.091 11.210 -0.777 1.00 75.35 H new ATOM 0 HG3 LYS A 75 7.845 10.378 -2.299 1.00 75.35 H new ATOM 0 HD2 LYS A 75 6.747 12.417 -3.237 1.00 44.10 H new ATOM 0 HD3 LYS A 75 6.990 13.249 -1.714 1.00 44.10 H new ATOM 0 HE2 LYS A 75 9.470 12.958 -1.985 1.00 70.22 H new ATOM 0 HE3 LYS A 75 9.191 12.202 -3.541 1.00 70.22 H new ATOM 0 HZ1 LYS A 75 9.707 14.544 -3.785 1.00 14.21 H new ATOM 0 HZ2 LYS A 75 8.120 14.242 -4.310 1.00 14.21 H new ATOM 0 HZ3 LYS A 75 8.391 14.975 -2.802 1.00 14.21 H new ATOM 1204 N GLN A 76 6.712 10.394 1.753 1.00 2.14 N ATOM 1205 CA GLN A 76 7.596 10.550 2.911 1.00 23.22 C ATOM 1206 C GLN A 76 7.650 9.277 3.772 1.00 45.24 C ATOM 1207 O GLN A 76 8.713 8.902 4.273 1.00 12.11 O ATOM 1208 CB GLN A 76 7.142 11.751 3.750 1.00 42.14 C ATOM 1209 CG GLN A 76 7.395 13.092 3.065 1.00 22.52 C ATOM 1210 CD GLN A 76 6.791 14.274 3.806 1.00 22.32 C ATOM 1211 OE1 GLN A 76 6.623 14.249 5.024 1.00 23.43 O ATOM 1212 NE2 GLN A 76 6.476 15.324 3.074 1.00 11.02 N ATOM 0 H GLN A 76 5.908 11.021 1.753 1.00 2.14 H new ATOM 0 HA GLN A 76 8.606 10.727 2.541 1.00 23.22 H new ATOM 0 HB2 GLN A 76 6.078 11.655 3.965 1.00 42.14 H new ATOM 0 HB3 GLN A 76 7.663 11.735 4.707 1.00 42.14 H new ATOM 0 HG2 GLN A 76 8.470 13.245 2.968 1.00 22.52 H new ATOM 0 HG3 GLN A 76 6.986 13.058 2.055 1.00 22.52 H new ATOM 0 HE21 GLN A 76 6.630 15.308 2.066 1.00 11.02 H new ATOM 0 HE22 GLN A 76 6.078 16.153 3.516 1.00 11.02 H new ATOM 1221 N LYS A 77 6.506 8.613 3.940 1.00 22.15 N ATOM 1222 CA LYS A 77 6.454 7.354 4.695 1.00 1.15 C ATOM 1223 C LYS A 77 7.273 6.253 3.991 1.00 31.04 C ATOM 1224 O LYS A 77 7.917 5.427 4.638 1.00 23.51 O ATOM 1225 CB LYS A 77 4.998 6.892 4.872 1.00 30.53 C ATOM 1226 CG LYS A 77 4.093 7.919 5.551 1.00 1.00 C ATOM 1227 CD LYS A 77 4.557 8.254 6.967 1.00 74.33 C ATOM 1228 CE LYS A 77 3.682 9.332 7.603 1.00 12.50 C ATOM 1229 NZ LYS A 77 4.203 9.769 8.927 1.00 24.52 N ATOM 0 H LYS A 77 5.607 8.920 3.568 1.00 22.15 H new ATOM 0 HA LYS A 77 6.891 7.535 5.677 1.00 1.15 H new ATOM 0 HB2 LYS A 77 4.584 6.650 3.893 1.00 30.53 H new ATOM 0 HB3 LYS A 77 4.989 5.973 5.458 1.00 30.53 H new ATOM 0 HG2 LYS A 77 4.069 8.830 4.954 1.00 1.00 H new ATOM 0 HG3 LYS A 77 3.074 7.535 5.586 1.00 1.00 H new ATOM 0 HD2 LYS A 77 4.532 7.354 7.582 1.00 74.33 H new ATOM 0 HD3 LYS A 77 5.593 8.593 6.941 1.00 74.33 H new ATOM 0 HE2 LYS A 77 3.624 10.192 6.935 1.00 12.50 H new ATOM 0 HE3 LYS A 77 2.667 8.951 7.721 1.00 12.50 H new ATOM 0 HZ1 LYS A 77 3.578 10.501 9.322 1.00 24.52 H new ATOM 0 HZ2 LYS A 77 4.234 8.955 9.574 1.00 24.52 H new ATOM 0 HZ3 LYS A 77 5.161 10.157 8.812 1.00 24.52 H new ATOM 1243 N LEU A 78 7.241 6.260 2.659 1.00 15.50 N ATOM 1244 CA LEU A 78 7.993 5.298 1.844 1.00 40.13 C ATOM 1245 C LEU A 78 9.508 5.553 1.929 1.00 44.34 C ATOM 1246 O LEU A 78 10.287 4.641 2.223 1.00 30.31 O ATOM 1247 CB LEU A 78 7.522 5.387 0.388 1.00 1.10 C ATOM 1248 CG LEU A 78 6.050 5.009 0.156 1.00 34.34 C ATOM 1249 CD1 LEU A 78 5.599 5.408 -1.246 1.00 13.02 C ATOM 1250 CD2 LEU A 78 5.833 3.515 0.392 1.00 44.02 C ATOM 0 H LEU A 78 6.697 6.928 2.113 1.00 15.50 H new ATOM 0 HA LEU A 78 7.805 4.296 2.231 1.00 40.13 H new ATOM 0 HB2 LEU A 78 7.680 6.405 0.033 1.00 1.10 H new ATOM 0 HB3 LEU A 78 8.149 4.736 -0.221 1.00 1.10 H new ATOM 0 HG LEU A 78 5.442 5.559 0.874 1.00 34.34 H new ATOM 0 HD11 LEU A 78 4.554 5.130 -1.385 1.00 13.02 H new ATOM 0 HD12 LEU A 78 5.707 6.485 -1.370 1.00 13.02 H new ATOM 0 HD13 LEU A 78 6.213 4.894 -1.986 1.00 13.02 H new ATOM 0 HD21 LEU A 78 4.785 3.268 0.223 1.00 44.02 H new ATOM 0 HD22 LEU A 78 6.456 2.944 -0.296 1.00 44.02 H new ATOM 0 HD23 LEU A 78 6.103 3.266 1.418 1.00 44.02 H new ATOM 1262 N GLU A 79 9.914 6.797 1.670 1.00 43.14 N ATOM 1263 CA GLU A 79 11.323 7.202 1.774 1.00 31.24 C ATOM 1264 C GLU A 79 11.917 6.833 3.145 1.00 3.54 C ATOM 1265 O GLU A 79 13.021 6.290 3.233 1.00 12.33 O ATOM 1266 CB GLU A 79 11.459 8.717 1.544 1.00 21.54 C ATOM 1267 CG GLU A 79 11.187 9.169 0.107 1.00 63.11 C ATOM 1268 CD GLU A 79 12.250 8.700 -0.878 1.00 3.22 C ATOM 1269 OE1 GLU A 79 13.456 8.830 -0.565 1.00 32.23 O ATOM 1270 OE2 GLU A 79 11.892 8.224 -1.974 1.00 22.13 O ATOM 0 H GLU A 79 9.285 7.548 1.385 1.00 43.14 H new ATOM 0 HA GLU A 79 11.878 6.664 1.006 1.00 31.24 H new ATOM 0 HB2 GLU A 79 10.771 9.236 2.211 1.00 21.54 H new ATOM 0 HB3 GLU A 79 12.467 9.025 1.824 1.00 21.54 H new ATOM 0 HG2 GLU A 79 10.215 8.790 -0.209 1.00 63.11 H new ATOM 0 HG3 GLU A 79 11.129 10.257 0.079 1.00 63.11 H new ATOM 1277 N ALA A 80 11.162 7.114 4.209 1.00 43.22 N ATOM 1278 CA ALA A 80 11.598 6.825 5.583 1.00 11.43 C ATOM 1279 C ALA A 80 11.802 5.319 5.826 1.00 2.41 C ATOM 1280 O ALA A 80 12.432 4.918 6.804 1.00 62.35 O ATOM 1281 CB ALA A 80 10.586 7.387 6.575 1.00 1.31 C ATOM 0 H ALA A 80 10.239 7.544 4.148 1.00 43.22 H new ATOM 0 HA ALA A 80 12.564 7.307 5.730 1.00 11.43 H new ATOM 0 HB1 ALA A 80 10.914 7.170 7.592 1.00 1.31 H new ATOM 0 HB2 ALA A 80 10.507 8.466 6.442 1.00 1.31 H new ATOM 0 HB3 ALA A 80 9.613 6.927 6.402 1.00 1.31 H new ATOM 1287 N GLU A 81 11.256 4.492 4.939 1.00 3.14 N ATOM 1288 CA GLU A 81 11.382 3.033 5.046 1.00 54.12 C ATOM 1289 C GLU A 81 12.393 2.466 4.036 1.00 61.04 C ATOM 1290 O GLU A 81 12.457 1.253 3.823 1.00 41.40 O ATOM 1291 CB GLU A 81 10.007 2.380 4.841 1.00 12.22 C ATOM 1292 CG GLU A 81 9.022 2.647 5.977 1.00 44.10 C ATOM 1293 CD GLU A 81 9.440 1.975 7.276 1.00 40.11 C ATOM 1294 OE1 GLU A 81 9.207 0.753 7.420 1.00 63.25 O ATOM 1295 OE2 GLU A 81 10.024 2.647 8.146 1.00 34.43 O ATOM 0 H GLU A 81 10.718 4.806 4.131 1.00 3.14 H new ATOM 0 HA GLU A 81 11.756 2.802 6.044 1.00 54.12 H new ATOM 0 HB2 GLU A 81 9.578 2.744 3.908 1.00 12.22 H new ATOM 0 HB3 GLU A 81 10.139 1.303 4.733 1.00 12.22 H new ATOM 0 HG2 GLU A 81 8.939 3.722 6.137 1.00 44.10 H new ATOM 0 HG3 GLU A 81 8.033 2.291 5.688 1.00 44.10 H new ATOM 1302 N GLY A 82 13.185 3.343 3.426 1.00 33.32 N ATOM 1303 CA GLY A 82 14.203 2.907 2.473 1.00 21.21 C ATOM 1304 C GLY A 82 13.655 2.649 1.070 1.00 40.24 C ATOM 1305 O GLY A 82 14.373 2.161 0.191 1.00 74.50 O ATOM 0 H GLY A 82 13.143 4.352 3.572 1.00 33.32 H new ATOM 0 HA2 GLY A 82 14.984 3.665 2.416 1.00 21.21 H new ATOM 0 HA3 GLY A 82 14.671 1.995 2.845 1.00 21.21 H new ATOM 1309 N ILE A 83 12.384 2.979 0.853 1.00 12.23 N ATOM 1310 CA ILE A 83 11.741 2.785 -0.450 1.00 53.15 C ATOM 1311 C ILE A 83 11.948 4.016 -1.345 1.00 31.24 C ATOM 1312 O ILE A 83 12.071 5.135 -0.848 1.00 63.24 O ATOM 1313 CB ILE A 83 10.223 2.512 -0.281 1.00 70.33 C ATOM 1314 CG1 ILE A 83 10.003 1.333 0.681 1.00 2.35 C ATOM 1315 CG2 ILE A 83 9.561 2.236 -1.633 1.00 12.13 C ATOM 1316 CD1 ILE A 83 8.546 1.044 0.974 1.00 52.42 C ATOM 0 H ILE A 83 11.775 3.384 1.564 1.00 12.23 H new ATOM 0 HA ILE A 83 12.204 1.919 -0.924 1.00 53.15 H new ATOM 0 HB ILE A 83 9.758 3.402 0.142 1.00 70.33 H new ATOM 0 HG12 ILE A 83 10.462 0.440 0.257 1.00 2.35 H new ATOM 0 HG13 ILE A 83 10.518 1.541 1.619 1.00 2.35 H new ATOM 0 HG21 ILE A 83 8.498 2.048 -1.486 1.00 12.13 H new ATOM 0 HG22 ILE A 83 9.690 3.100 -2.284 1.00 12.13 H new ATOM 0 HG23 ILE A 83 10.024 1.363 -2.093 1.00 12.13 H new ATOM 0 HD11 ILE A 83 8.473 0.200 1.659 1.00 52.42 H new ATOM 0 HD12 ILE A 83 8.085 1.921 1.429 1.00 52.42 H new ATOM 0 HD13 ILE A 83 8.029 0.803 0.045 1.00 52.42 H new ATOM 1328 N GLU A 84 12.007 3.812 -2.659 1.00 31.42 N ATOM 1329 CA GLU A 84 12.215 4.921 -3.598 1.00 41.01 C ATOM 1330 C GLU A 84 10.889 5.407 -4.199 1.00 12.23 C ATOM 1331 O GLU A 84 10.073 4.612 -4.674 1.00 45.51 O ATOM 1332 CB GLU A 84 13.174 4.505 -4.725 1.00 21.34 C ATOM 1333 CG GLU A 84 12.635 3.406 -5.636 1.00 23.24 C ATOM 1334 CD GLU A 84 13.594 3.062 -6.762 1.00 1.05 C ATOM 1335 OE1 GLU A 84 14.633 2.427 -6.487 1.00 43.03 O ATOM 1336 OE2 GLU A 84 13.321 3.438 -7.920 1.00 3.31 O ATOM 0 H GLU A 84 11.915 2.897 -3.099 1.00 31.42 H new ATOM 0 HA GLU A 84 12.657 5.743 -3.036 1.00 41.01 H new ATOM 0 HB2 GLU A 84 13.406 5.381 -5.331 1.00 21.34 H new ATOM 0 HB3 GLU A 84 14.111 4.167 -4.282 1.00 21.34 H new ATOM 0 HG2 GLU A 84 12.439 2.512 -5.044 1.00 23.24 H new ATOM 0 HG3 GLU A 84 11.682 3.724 -6.059 1.00 23.24 H new ATOM 1343 N VAL A 85 10.672 6.717 -4.158 1.00 54.02 N ATOM 1344 CA VAL A 85 9.511 7.329 -4.805 1.00 4.31 C ATOM 1345 C VAL A 85 9.937 8.163 -6.023 1.00 51.33 C ATOM 1346 O VAL A 85 10.427 9.286 -5.881 1.00 33.23 O ATOM 1347 CB VAL A 85 8.723 8.229 -3.822 1.00 72.44 C ATOM 1348 CG1 VAL A 85 7.466 8.788 -4.486 1.00 74.15 C ATOM 1349 CG2 VAL A 85 8.373 7.458 -2.550 1.00 2.14 C ATOM 0 H VAL A 85 11.285 7.379 -3.683 1.00 54.02 H new ATOM 0 HA VAL A 85 8.864 6.516 -5.133 1.00 4.31 H new ATOM 0 HB VAL A 85 9.358 9.071 -3.545 1.00 72.44 H new ATOM 0 HG11 VAL A 85 6.929 9.417 -3.776 1.00 74.15 H new ATOM 0 HG12 VAL A 85 7.747 9.381 -5.356 1.00 74.15 H new ATOM 0 HG13 VAL A 85 6.824 7.965 -4.800 1.00 74.15 H new ATOM 0 HG21 VAL A 85 7.819 8.107 -1.872 1.00 2.14 H new ATOM 0 HG22 VAL A 85 7.760 6.593 -2.806 1.00 2.14 H new ATOM 0 HG23 VAL A 85 9.289 7.122 -2.064 1.00 2.14 H new ATOM 1359 N SER A 86 9.771 7.594 -7.216 1.00 0.51 N ATOM 1360 CA SER A 86 10.059 8.310 -8.468 1.00 63.53 C ATOM 1361 C SER A 86 9.206 9.586 -8.576 1.00 33.22 C ATOM 1362 O SER A 86 8.107 9.636 -8.027 1.00 61.41 O ATOM 1363 CB SER A 86 9.804 7.394 -9.674 1.00 33.23 C ATOM 1364 OG SER A 86 10.592 6.211 -9.603 1.00 22.33 O ATOM 0 H SER A 86 9.438 6.639 -7.347 1.00 0.51 H new ATOM 0 HA SER A 86 11.109 8.601 -8.463 1.00 63.53 H new ATOM 0 HB2 SER A 86 8.748 7.128 -9.714 1.00 33.23 H new ATOM 0 HB3 SER A 86 10.032 7.930 -10.595 1.00 33.23 H new ATOM 0 HG SER A 86 10.156 5.562 -9.012 1.00 22.33 H new ATOM 1370 N GLU A 87 9.703 10.582 -9.321 1.00 21.14 N ATOM 1371 CA GLU A 87 9.146 11.958 -9.322 1.00 45.52 C ATOM 1372 C GLU A 87 7.601 12.029 -9.291 1.00 11.10 C ATOM 1373 O GLU A 87 7.026 12.799 -8.519 1.00 50.01 O ATOM 1374 CB GLU A 87 9.664 12.737 -10.543 1.00 63.12 C ATOM 1375 CG GLU A 87 9.201 12.171 -11.882 1.00 50.43 C ATOM 1376 CD GLU A 87 9.578 13.052 -13.060 1.00 21.10 C ATOM 1377 OE1 GLU A 87 8.816 13.994 -13.371 1.00 21.43 O ATOM 1378 OE2 GLU A 87 10.630 12.803 -13.685 1.00 11.40 O ATOM 0 H GLU A 87 10.503 10.465 -9.943 1.00 21.14 H new ATOM 0 HA GLU A 87 9.491 12.409 -8.392 1.00 45.52 H new ATOM 0 HB2 GLU A 87 9.336 13.774 -10.466 1.00 63.12 H new ATOM 0 HB3 GLU A 87 10.754 12.745 -10.521 1.00 63.12 H new ATOM 0 HG2 GLU A 87 9.636 11.181 -12.022 1.00 50.43 H new ATOM 0 HG3 GLU A 87 8.119 12.044 -11.862 1.00 50.43 H new ATOM 1385 N ILE A 88 6.933 11.243 -10.130 1.00 11.14 N ATOM 1386 CA ILE A 88 5.463 11.286 -10.229 1.00 73.44 C ATOM 1387 C ILE A 88 4.786 10.303 -9.258 1.00 23.12 C ATOM 1388 O ILE A 88 3.623 9.937 -9.429 1.00 61.11 O ATOM 1389 CB ILE A 88 4.989 11.033 -11.693 1.00 75.20 C ATOM 1390 CG1 ILE A 88 5.677 9.798 -12.324 1.00 41.22 C ATOM 1391 CG2 ILE A 88 5.244 12.273 -12.548 1.00 45.12 C ATOM 1392 CD1 ILE A 88 5.161 8.463 -11.830 1.00 73.44 C ATOM 0 H ILE A 88 7.377 10.568 -10.753 1.00 11.14 H new ATOM 0 HA ILE A 88 5.156 12.291 -9.938 1.00 73.44 H new ATOM 0 HB ILE A 88 3.919 10.827 -11.660 1.00 75.20 H new ATOM 0 HG12 ILE A 88 5.551 9.843 -13.406 1.00 41.22 H new ATOM 0 HG13 ILE A 88 6.747 9.854 -12.125 1.00 41.22 H new ATOM 0 HG21 ILE A 88 4.910 12.086 -13.569 1.00 45.12 H new ATOM 0 HG22 ILE A 88 4.694 13.119 -12.135 1.00 45.12 H new ATOM 0 HG23 ILE A 88 6.310 12.500 -12.551 1.00 45.12 H new ATOM 0 HD11 ILE A 88 5.701 7.657 -12.327 1.00 73.44 H new ATOM 0 HD12 ILE A 88 5.312 8.391 -10.753 1.00 73.44 H new ATOM 0 HD13 ILE A 88 4.098 8.379 -12.054 1.00 73.44 H new ATOM 1404 N GLY A 89 5.516 9.914 -8.219 1.00 35.52 N ATOM 1405 CA GLY A 89 5.003 8.968 -7.241 1.00 33.21 C ATOM 1406 C GLY A 89 4.986 7.524 -7.744 1.00 71.35 C ATOM 1407 O GLY A 89 3.960 6.852 -7.669 1.00 73.13 O ATOM 0 H GLY A 89 6.465 10.240 -8.034 1.00 35.52 H new ATOM 0 HA2 GLY A 89 5.612 9.023 -6.339 1.00 33.21 H new ATOM 0 HA3 GLY A 89 3.991 9.259 -6.961 1.00 33.21 H new ATOM 1411 N LYS A 90 6.120 7.040 -8.258 1.00 55.23 N ATOM 1412 CA LYS A 90 6.203 5.651 -8.760 1.00 21.11 C ATOM 1413 C LYS A 90 7.238 4.811 -7.993 1.00 22.44 C ATOM 1414 O LYS A 90 8.351 5.265 -7.729 1.00 71.50 O ATOM 1415 CB LYS A 90 6.534 5.631 -10.260 1.00 42.21 C ATOM 1416 CG LYS A 90 6.619 4.223 -10.846 1.00 34.10 C ATOM 1417 CD LYS A 90 6.920 4.239 -12.342 1.00 3.54 C ATOM 1418 CE LYS A 90 6.970 2.829 -12.925 1.00 40.23 C ATOM 1419 NZ LYS A 90 5.689 2.094 -12.724 1.00 42.55 N ATOM 0 H LYS A 90 6.985 7.574 -8.340 1.00 55.23 H new ATOM 0 HA LYS A 90 5.222 5.204 -8.597 1.00 21.11 H new ATOM 0 HB2 LYS A 90 5.773 6.195 -10.799 1.00 42.21 H new ATOM 0 HB3 LYS A 90 7.484 6.141 -10.421 1.00 42.21 H new ATOM 0 HG2 LYS A 90 7.396 3.661 -10.327 1.00 34.10 H new ATOM 0 HG3 LYS A 90 5.678 3.701 -10.672 1.00 34.10 H new ATOM 0 HD2 LYS A 90 6.157 4.820 -12.860 1.00 3.54 H new ATOM 0 HD3 LYS A 90 7.873 4.738 -12.516 1.00 3.54 H new ATOM 0 HE2 LYS A 90 7.192 2.885 -13.991 1.00 40.23 H new ATOM 0 HE3 LYS A 90 7.784 2.273 -12.459 1.00 40.23 H new ATOM 0 HZ1 LYS A 90 5.676 1.248 -13.328 1.00 42.55 H new ATOM 0 HZ2 LYS A 90 5.605 1.809 -11.727 1.00 42.55 H new ATOM 0 HZ3 LYS A 90 4.891 2.712 -12.976 1.00 42.55 H new ATOM 1433 N ILE A 91 6.857 3.580 -7.653 1.00 31.14 N ATOM 1434 CA ILE A 91 7.733 2.638 -6.948 1.00 22.45 C ATOM 1435 C ILE A 91 8.076 1.430 -7.841 1.00 72.13 C ATOM 1436 O ILE A 91 7.209 0.900 -8.542 1.00 2.42 O ATOM 1437 CB ILE A 91 7.050 2.121 -5.656 1.00 70.53 C ATOM 1438 CG1 ILE A 91 6.562 3.301 -4.797 1.00 72.34 C ATOM 1439 CG2 ILE A 91 7.997 1.225 -4.859 1.00 34.21 C ATOM 1440 CD1 ILE A 91 5.731 2.884 -3.601 1.00 3.14 C ATOM 0 H ILE A 91 5.931 3.205 -7.858 1.00 31.14 H new ATOM 0 HA ILE A 91 8.649 3.172 -6.693 1.00 22.45 H new ATOM 0 HB ILE A 91 6.185 1.523 -5.943 1.00 70.53 H new ATOM 0 HG12 ILE A 91 7.426 3.866 -4.448 1.00 72.34 H new ATOM 0 HG13 ILE A 91 5.973 3.973 -5.421 1.00 72.34 H new ATOM 0 HG21 ILE A 91 7.494 0.875 -3.957 1.00 34.21 H new ATOM 0 HG22 ILE A 91 8.287 0.369 -5.468 1.00 34.21 H new ATOM 0 HG23 ILE A 91 8.886 1.791 -4.582 1.00 34.21 H new ATOM 0 HD11 ILE A 91 5.424 3.770 -3.045 1.00 3.14 H new ATOM 0 HD12 ILE A 91 4.847 2.345 -3.942 1.00 3.14 H new ATOM 0 HD13 ILE A 91 6.323 2.237 -2.954 1.00 3.14 H new ATOM 1452 N ALA A 92 9.334 0.994 -7.817 1.00 42.34 N ATOM 1453 CA ALA A 92 9.754 -0.179 -8.593 1.00 25.00 C ATOM 1454 C ALA A 92 9.208 -1.487 -7.984 1.00 14.31 C ATOM 1455 O ALA A 92 9.830 -2.081 -7.100 1.00 2.33 O ATOM 1456 CB ALA A 92 11.278 -0.226 -8.692 1.00 54.13 C ATOM 0 H ALA A 92 10.079 1.430 -7.273 1.00 42.34 H new ATOM 0 HA ALA A 92 9.337 -0.086 -9.596 1.00 25.00 H new ATOM 0 HB1 ALA A 92 11.578 -1.100 -9.270 1.00 54.13 H new ATOM 0 HB2 ALA A 92 11.639 0.677 -9.186 1.00 54.13 H new ATOM 0 HB3 ALA A 92 11.706 -0.288 -7.691 1.00 54.13 H new ATOM 1462 N LEU A 93 8.045 -1.931 -8.465 1.00 73.53 N ATOM 1463 CA LEU A 93 7.397 -3.145 -7.944 1.00 43.53 C ATOM 1464 C LEU A 93 8.332 -4.360 -7.954 1.00 41.44 C ATOM 1465 O LEU A 93 8.644 -4.917 -6.911 1.00 51.04 O ATOM 1466 CB LEU A 93 6.127 -3.473 -8.746 1.00 54.31 C ATOM 1467 CG LEU A 93 4.911 -2.582 -8.455 1.00 31.44 C ATOM 1468 CD1 LEU A 93 3.726 -2.979 -9.334 1.00 64.45 C ATOM 1469 CD2 LEU A 93 4.533 -2.659 -6.976 1.00 43.32 C ATOM 0 H LEU A 93 7.529 -1.470 -9.215 1.00 73.53 H new ATOM 0 HA LEU A 93 7.134 -2.933 -6.908 1.00 43.53 H new ATOM 0 HB2 LEU A 93 6.361 -3.402 -9.808 1.00 54.31 H new ATOM 0 HB3 LEU A 93 5.852 -4.509 -8.549 1.00 54.31 H new ATOM 0 HG LEU A 93 5.178 -1.552 -8.690 1.00 31.44 H new ATOM 0 HD11 LEU A 93 2.876 -2.335 -9.111 1.00 64.45 H new ATOM 0 HD12 LEU A 93 3.999 -2.870 -10.384 1.00 64.45 H new ATOM 0 HD13 LEU A 93 3.457 -4.016 -9.135 1.00 64.45 H new ATOM 0 HD21 LEU A 93 3.669 -2.021 -6.788 1.00 43.32 H new ATOM 0 HD22 LEU A 93 4.287 -3.689 -6.716 1.00 43.32 H new ATOM 0 HD23 LEU A 93 5.372 -2.322 -6.368 1.00 43.32 H new ATOM 1481 N ARG A 94 8.805 -4.744 -9.134 1.00 22.41 N ATOM 1482 CA ARG A 94 9.587 -5.982 -9.296 1.00 4.32 C ATOM 1483 C ARG A 94 10.913 -5.973 -8.501 1.00 34.52 C ATOM 1484 O ARG A 94 11.687 -6.930 -8.558 1.00 73.15 O ATOM 1485 CB ARG A 94 9.848 -6.232 -10.787 1.00 73.22 C ATOM 1486 CG ARG A 94 8.568 -6.224 -11.620 1.00 14.53 C ATOM 1487 CD ARG A 94 8.829 -6.521 -13.093 1.00 51.03 C ATOM 1488 NE ARG A 94 7.618 -6.365 -13.900 1.00 11.44 N ATOM 1489 CZ ARG A 94 7.411 -6.953 -15.049 1.00 64.10 C ATOM 1490 NH1 ARG A 94 8.261 -7.810 -15.515 1.00 25.53 N ATOM 1491 NH2 ARG A 94 6.336 -6.702 -15.720 1.00 31.44 N ATOM 0 H ARG A 94 8.665 -4.221 -9.998 1.00 22.41 H new ATOM 0 HA ARG A 94 8.994 -6.797 -8.881 1.00 4.32 H new ATOM 0 HB2 ARG A 94 10.527 -5.468 -11.166 1.00 73.22 H new ATOM 0 HB3 ARG A 94 10.349 -7.193 -10.908 1.00 73.22 H new ATOM 0 HG2 ARG A 94 7.874 -6.963 -11.221 1.00 14.53 H new ATOM 0 HG3 ARG A 94 8.085 -5.251 -11.529 1.00 14.53 H new ATOM 0 HD2 ARG A 94 9.604 -5.852 -13.467 1.00 51.03 H new ATOM 0 HD3 ARG A 94 9.207 -7.538 -13.198 1.00 51.03 H new ATOM 0 HE ARG A 94 6.884 -5.755 -13.541 1.00 11.44 H new ATOM 0 HH11 ARG A 94 9.103 -8.033 -14.985 1.00 25.53 H new ATOM 0 HH12 ARG A 94 8.089 -8.263 -16.413 1.00 25.53 H new ATOM 0 HH21 ARG A 94 5.648 -6.044 -15.353 1.00 31.44 H new ATOM 0 HH22 ARG A 94 6.175 -7.161 -16.616 1.00 31.44 H new ATOM 1505 N LYS A 95 11.175 -4.892 -7.764 1.00 12.52 N ATOM 1506 CA LYS A 95 12.333 -4.824 -6.863 1.00 40.54 C ATOM 1507 C LYS A 95 11.882 -4.772 -5.387 1.00 30.23 C ATOM 1508 O LYS A 95 12.543 -5.329 -4.509 1.00 71.41 O ATOM 1509 CB LYS A 95 13.206 -3.605 -7.224 1.00 62.21 C ATOM 1510 CG LYS A 95 14.542 -3.512 -6.470 1.00 42.13 C ATOM 1511 CD LYS A 95 14.391 -2.858 -5.097 1.00 34.24 C ATOM 1512 CE LYS A 95 15.726 -2.684 -4.381 1.00 75.21 C ATOM 1513 NZ LYS A 95 16.346 -3.983 -4.012 1.00 44.32 N ATOM 0 H LYS A 95 10.601 -4.049 -7.772 1.00 12.52 H new ATOM 0 HA LYS A 95 12.930 -5.727 -6.989 1.00 40.54 H new ATOM 0 HB2 LYS A 95 13.412 -3.630 -8.294 1.00 62.21 H new ATOM 0 HB3 LYS A 95 12.634 -2.698 -7.030 1.00 62.21 H new ATOM 0 HG2 LYS A 95 14.959 -4.512 -6.349 1.00 42.13 H new ATOM 0 HG3 LYS A 95 15.253 -2.940 -7.066 1.00 42.13 H new ATOM 0 HD2 LYS A 95 13.915 -1.884 -5.213 1.00 34.24 H new ATOM 0 HD3 LYS A 95 13.728 -3.465 -4.480 1.00 34.24 H new ATOM 0 HE2 LYS A 95 16.409 -2.128 -5.023 1.00 75.21 H new ATOM 0 HE3 LYS A 95 15.577 -2.087 -3.481 1.00 75.21 H new ATOM 0 HZ1 LYS A 95 17.234 -3.811 -3.498 1.00 44.32 H new ATOM 0 HZ2 LYS A 95 15.693 -4.519 -3.405 1.00 44.32 H new ATOM 0 HZ3 LYS A 95 16.545 -4.530 -4.874 1.00 44.32 H new ATOM 1527 N TYR A 96 10.751 -4.110 -5.119 1.00 42.34 N ATOM 1528 CA TYR A 96 10.251 -3.941 -3.741 1.00 45.14 C ATOM 1529 C TYR A 96 8.995 -4.784 -3.467 1.00 24.04 C ATOM 1530 O TYR A 96 8.394 -4.675 -2.402 1.00 3.51 O ATOM 1531 CB TYR A 96 9.917 -2.465 -3.469 1.00 31.52 C ATOM 1532 CG TYR A 96 11.099 -1.525 -3.589 1.00 24.24 C ATOM 1533 CD1 TYR A 96 11.990 -1.361 -2.534 1.00 33.41 C ATOM 1534 CD2 TYR A 96 11.325 -0.804 -4.755 1.00 35.42 C ATOM 1535 CE1 TYR A 96 13.073 -0.507 -2.642 1.00 43.22 C ATOM 1536 CE2 TYR A 96 12.401 0.049 -4.871 1.00 34.41 C ATOM 1537 CZ TYR A 96 13.272 0.196 -3.814 1.00 10.24 C ATOM 1538 OH TYR A 96 14.354 1.037 -3.938 1.00 3.10 O ATOM 0 H TYR A 96 10.162 -3.682 -5.833 1.00 42.34 H new ATOM 0 HA TYR A 96 11.047 -4.281 -3.079 1.00 45.14 H new ATOM 0 HB2 TYR A 96 9.142 -2.146 -4.166 1.00 31.52 H new ATOM 0 HB3 TYR A 96 9.499 -2.378 -2.466 1.00 31.52 H new ATOM 0 HD1 TYR A 96 11.834 -1.909 -1.616 1.00 33.41 H new ATOM 0 HD2 TYR A 96 10.644 -0.914 -5.586 1.00 35.42 H new ATOM 0 HE1 TYR A 96 13.758 -0.391 -1.815 1.00 43.22 H new ATOM 0 HE2 TYR A 96 12.561 0.600 -5.786 1.00 34.41 H new ATOM 0 HH TYR A 96 14.345 1.453 -4.825 1.00 3.10 H new ATOM 1548 N LYS A 97 8.599 -5.620 -4.421 1.00 24.35 N ATOM 1549 CA LYS A 97 7.354 -6.378 -4.307 1.00 63.22 C ATOM 1550 C LYS A 97 7.388 -7.354 -3.121 1.00 73.12 C ATOM 1551 O LYS A 97 8.364 -8.079 -2.920 1.00 65.31 O ATOM 1552 CB LYS A 97 7.096 -7.135 -5.613 1.00 21.43 C ATOM 1553 CG LYS A 97 5.657 -7.594 -5.792 1.00 13.13 C ATOM 1554 CD LYS A 97 5.474 -8.295 -7.130 1.00 50.30 C ATOM 1555 CE LYS A 97 4.032 -8.734 -7.356 1.00 14.03 C ATOM 1556 NZ LYS A 97 3.516 -9.576 -6.245 1.00 74.05 N ATOM 0 H LYS A 97 9.120 -5.791 -5.281 1.00 24.35 H new ATOM 0 HA LYS A 97 6.542 -5.674 -4.124 1.00 63.22 H new ATOM 0 HB2 LYS A 97 7.368 -6.494 -6.452 1.00 21.43 H new ATOM 0 HB3 LYS A 97 7.751 -8.005 -5.651 1.00 21.43 H new ATOM 0 HG2 LYS A 97 5.383 -8.270 -4.982 1.00 13.13 H new ATOM 0 HG3 LYS A 97 4.987 -6.736 -5.731 1.00 13.13 H new ATOM 0 HD2 LYS A 97 5.779 -7.625 -7.934 1.00 50.30 H new ATOM 0 HD3 LYS A 97 6.129 -9.165 -7.175 1.00 50.30 H new ATOM 0 HE2 LYS A 97 3.400 -7.853 -7.465 1.00 14.03 H new ATOM 0 HE3 LYS A 97 3.967 -9.291 -8.291 1.00 14.03 H new ATOM 0 HZ1 LYS A 97 2.783 -10.218 -6.608 1.00 74.05 H new ATOM 0 HZ2 LYS A 97 4.295 -10.134 -5.841 1.00 74.05 H new ATOM 0 HZ3 LYS A 97 3.108 -8.966 -5.508 1.00 74.05 H new ATOM 1570 N TRP A 98 6.316 -7.355 -2.335 1.00 13.01 N ATOM 1571 CA TRP A 98 6.203 -8.237 -1.174 1.00 24.42 C ATOM 1572 C TRP A 98 6.351 -9.714 -1.563 1.00 33.32 C ATOM 1573 O TRP A 98 5.632 -10.217 -2.425 1.00 61.20 O ATOM 1574 CB TRP A 98 4.858 -8.001 -0.472 1.00 1.23 C ATOM 1575 CG TRP A 98 4.544 -8.992 0.614 1.00 23.00 C ATOM 1576 CD1 TRP A 98 5.428 -9.615 1.450 1.00 42.00 C ATOM 1577 CD2 TRP A 98 3.245 -9.463 0.988 1.00 63.11 C ATOM 1578 NE1 TRP A 98 4.761 -10.451 2.305 1.00 2.13 N ATOM 1579 CE2 TRP A 98 3.419 -10.374 2.045 1.00 33.41 C ATOM 1580 CE3 TRP A 98 1.952 -9.207 0.526 1.00 53.33 C ATOM 1581 CZ2 TRP A 98 2.348 -11.025 2.650 1.00 12.22 C ATOM 1582 CZ3 TRP A 98 0.889 -9.852 1.131 1.00 25.04 C ATOM 1583 CH2 TRP A 98 1.094 -10.755 2.182 1.00 14.34 C ATOM 0 H TRP A 98 5.507 -6.751 -2.481 1.00 13.01 H new ATOM 0 HA TRP A 98 7.017 -7.999 -0.490 1.00 24.42 H new ATOM 0 HB2 TRP A 98 4.856 -6.998 -0.044 1.00 1.23 H new ATOM 0 HB3 TRP A 98 4.063 -8.032 -1.217 1.00 1.23 H new ATOM 0 HD1 TRP A 98 6.498 -9.469 1.438 1.00 42.00 H new ATOM 0 HE1 TRP A 98 5.194 -11.036 3.020 1.00 2.13 H new ATOM 0 HE3 TRP A 98 1.786 -8.518 -0.289 1.00 53.33 H new ATOM 0 HZ2 TRP A 98 2.503 -11.720 3.462 1.00 12.22 H new ATOM 0 HZ3 TRP A 98 -0.116 -9.656 0.787 1.00 25.04 H new ATOM 0 HH2 TRP A 98 0.244 -11.247 2.631 1.00 14.34 H new ATOM 1594 N GLN A 99 7.289 -10.398 -0.914 1.00 33.44 N ATOM 1595 CA GLN A 99 7.517 -11.829 -1.143 1.00 72.13 C ATOM 1596 C GLN A 99 7.011 -12.665 0.050 1.00 10.42 C ATOM 1597 O GLN A 99 7.745 -12.894 1.012 1.00 20.53 O ATOM 1598 CB GLN A 99 9.016 -12.086 -1.375 1.00 11.03 C ATOM 1599 CG GLN A 99 9.604 -11.281 -2.531 1.00 71.01 C ATOM 1600 CD GLN A 99 11.119 -11.379 -2.616 1.00 74.55 C ATOM 1601 OE1 GLN A 99 11.802 -11.546 -1.609 1.00 61.40 O ATOM 1602 NE2 GLN A 99 11.658 -11.264 -3.813 1.00 70.33 N ATOM 0 H GLN A 99 7.910 -9.984 -0.219 1.00 33.44 H new ATOM 0 HA GLN A 99 6.959 -12.132 -2.029 1.00 72.13 H new ATOM 0 HB2 GLN A 99 9.562 -11.847 -0.462 1.00 11.03 H new ATOM 0 HB3 GLN A 99 9.168 -13.148 -1.569 1.00 11.03 H new ATOM 0 HG2 GLN A 99 9.170 -11.631 -3.468 1.00 71.01 H new ATOM 0 HG3 GLN A 99 9.319 -10.235 -2.419 1.00 71.01 H new ATOM 0 HE21 GLN A 99 11.062 -11.126 -4.629 1.00 70.33 H new ATOM 0 HE22 GLN A 99 12.671 -11.313 -3.923 1.00 70.33 H new ATOM 1611 N PRO A 100 5.734 -13.105 0.023 1.00 12.41 N ATOM 1612 CA PRO A 100 5.158 -13.945 1.093 1.00 10.24 C ATOM 1613 C PRO A 100 5.768 -15.357 1.129 1.00 1.25 C ATOM 1614 O PRO A 100 5.689 -16.060 2.140 1.00 4.23 O ATOM 1615 CB PRO A 100 3.667 -14.005 0.726 1.00 23.21 C ATOM 1616 CG PRO A 100 3.638 -13.790 -0.749 1.00 55.43 C ATOM 1617 CD PRO A 100 4.747 -12.813 -1.037 1.00 71.50 C ATOM 0 HA PRO A 100 5.352 -13.536 2.084 1.00 10.24 H new ATOM 0 HB2 PRO A 100 3.230 -14.966 0.996 1.00 23.21 H new ATOM 0 HB3 PRO A 100 3.098 -13.238 1.250 1.00 23.21 H new ATOM 0 HG2 PRO A 100 3.792 -14.727 -1.285 1.00 55.43 H new ATOM 0 HG3 PRO A 100 2.674 -13.394 -1.069 1.00 55.43 H new ATOM 0 HD2 PRO A 100 5.167 -12.962 -2.032 1.00 71.50 H new ATOM 0 HD3 PRO A 100 4.398 -11.781 -0.990 1.00 71.50 H new ATOM 1625 N LEU A 101 6.378 -15.767 0.016 1.00 45.24 N ATOM 1626 CA LEU A 101 7.037 -17.075 -0.081 1.00 63.41 C ATOM 1627 C LEU A 101 8.568 -16.922 -0.077 1.00 33.10 C ATOM 1628 O LEU A 101 9.094 -15.817 0.092 1.00 13.14 O ATOM 1629 CB LEU A 101 6.580 -17.802 -1.356 1.00 21.10 C ATOM 1630 CG LEU A 101 5.065 -18.042 -1.460 1.00 44.20 C ATOM 1631 CD1 LEU A 101 4.719 -18.750 -2.765 1.00 22.24 C ATOM 1632 CD2 LEU A 101 4.552 -18.839 -0.259 1.00 2.30 C ATOM 0 H LEU A 101 6.431 -15.210 -0.837 1.00 45.24 H new ATOM 0 HA LEU A 101 6.752 -17.667 0.789 1.00 63.41 H new ATOM 0 HB2 LEU A 101 6.901 -17.222 -2.221 1.00 21.10 H new ATOM 0 HB3 LEU A 101 7.090 -18.764 -1.410 1.00 21.10 H new ATOM 0 HG LEU A 101 4.570 -17.071 -1.456 1.00 44.20 H new ATOM 0 HD11 LEU A 101 3.642 -18.910 -2.818 1.00 22.24 H new ATOM 0 HD12 LEU A 101 5.036 -18.136 -3.608 1.00 22.24 H new ATOM 0 HD13 LEU A 101 5.231 -19.712 -2.804 1.00 22.24 H new ATOM 0 HD21 LEU A 101 3.478 -18.995 -0.358 1.00 2.30 H new ATOM 0 HD22 LEU A 101 5.057 -19.804 -0.221 1.00 2.30 H new ATOM 0 HD23 LEU A 101 4.756 -18.286 0.658 1.00 2.30 H new ATOM 1644 N GLU A 102 9.274 -18.036 -0.254 1.00 60.01 N ATOM 1645 CA GLU A 102 10.745 -18.034 -0.295 1.00 52.20 C ATOM 1646 C GLU A 102 11.282 -18.882 -1.470 1.00 63.43 C ATOM 1647 O GLU A 102 11.193 -20.132 -1.417 1.00 37.14 O ATOM 1648 CB GLU A 102 11.324 -18.515 1.053 1.00 55.24 C ATOM 1649 CG GLU A 102 10.701 -19.802 1.592 1.00 33.00 C ATOM 1650 CD GLU A 102 11.300 -20.232 2.922 1.00 30.25 C ATOM 1651 OE1 GLU A 102 12.339 -20.928 2.913 1.00 72.02 O ATOM 1652 OE2 GLU A 102 10.735 -19.879 3.980 1.00 43.33 O ATOM 0 H GLU A 102 8.855 -18.958 -0.372 1.00 60.01 H new ATOM 0 HA GLU A 102 11.075 -17.009 -0.462 1.00 52.20 H new ATOM 0 HB2 GLU A 102 12.397 -18.667 0.938 1.00 55.24 H new ATOM 0 HB3 GLU A 102 11.191 -17.725 1.793 1.00 55.24 H new ATOM 0 HG2 GLU A 102 9.627 -19.659 1.711 1.00 33.00 H new ATOM 0 HG3 GLU A 102 10.837 -20.600 0.862 1.00 33.00 H new TER 1659 GLU A 102