USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 612 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 77 ASN : amide:sc= 0.099 K(o=0.099,f=-0.74) USER MOD Set 1.2: A 80 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 68 SER OG : rot 75:sc= 1.18 USER MOD Set 2.2: A 71 SER OG : rot 65:sc= 0.316 USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -30:sc= -0.551 USER MOD Single : A 11 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.49) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc=-9.92e-05 (180deg=-0.122) USER MOD Single : A 18 SER OG : rot 2:sc= 0.867 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -59:sc= 0.192 USER MOD Single : A 25 GLN : amide:sc= -0.346 K(o=-0.35,f=0.22) USER MOD Single : A 31 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.83) USER MOD Single : A 33 ASN : amide:sc= -0.248 K(o=-0.25,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -73:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= -0.0331 (180deg=-0.267) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.5) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.575 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0736 USER MOD Single : A 67 SER OG : rot 56:sc= 0.507 USER MOD Single : A 78 SER OG : rot 180:sc= -0.738 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -8.84! C(o=-8.8!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.787 -4.829 -14.298 1.00 61.14 N ATOM 2 CA MET A 1 1.271 -4.118 -13.121 1.00 11.40 C ATOM 3 C MET A 1 0.723 -2.694 -13.083 1.00 25.32 C ATOM 4 O MET A 1 0.961 -1.904 -13.995 1.00 55.20 O ATOM 5 CB MET A 1 2.800 -4.089 -13.109 1.00 5.32 C ATOM 6 CG MET A 1 3.389 -3.604 -11.794 1.00 13.13 C ATOM 7 SD MET A 1 4.019 -4.952 -10.776 1.00 23.20 S ATOM 8 CE MET A 1 3.654 -4.336 -9.134 1.00 64.32 C ATOM 0 H1 MET A 1 1.172 -5.795 -14.303 1.00 61.14 H new ATOM 0 H2 MET A 1 -0.252 -4.871 -14.275 1.00 61.14 H new ATOM 0 H3 MET A 1 1.095 -4.329 -15.156 1.00 61.14 H new ATOM 0 HA MET A 1 0.918 -4.648 -12.236 1.00 11.40 H new ATOM 0 HB2 MET A 1 3.176 -5.091 -13.318 1.00 5.32 H new ATOM 0 HB3 MET A 1 3.149 -3.443 -13.914 1.00 5.32 H new ATOM 0 HG2 MET A 1 4.196 -2.901 -11.999 1.00 13.13 H new ATOM 0 HG3 MET A 1 2.626 -3.060 -11.238 1.00 13.13 H new ATOM 0 HE1 MET A 1 3.986 -5.061 -8.391 1.00 64.32 H new ATOM 0 HE2 MET A 1 4.174 -3.391 -8.976 1.00 64.32 H new ATOM 0 HE3 MET A 1 2.580 -4.180 -9.034 1.00 64.32 H new ATOM 18 N ASN A 2 -0.010 -2.375 -12.021 1.00 61.42 N ATOM 19 CA ASN A 2 -0.592 -1.047 -11.865 1.00 63.23 C ATOM 20 C ASN A 2 -1.167 -0.867 -10.464 1.00 14.50 C ATOM 21 O ASN A 2 -2.016 -1.643 -10.026 1.00 2.33 O ATOM 22 CB ASN A 2 -1.685 -0.821 -12.911 1.00 52.42 C ATOM 23 CG ASN A 2 -2.502 -2.071 -13.174 1.00 64.24 C ATOM 24 OD1 ASN A 2 -2.069 -2.967 -13.900 1.00 54.33 O ATOM 25 ND2 ASN A 2 -3.689 -2.138 -12.584 1.00 11.42 N ATOM 0 H ASN A 2 -0.215 -3.018 -11.256 1.00 61.42 H new ATOM 0 HA ASN A 2 0.198 -0.311 -12.011 1.00 63.23 H new ATOM 0 HB2 ASN A 2 -2.346 -0.022 -12.575 1.00 52.42 H new ATOM 0 HB3 ASN A 2 -1.229 -0.486 -13.842 1.00 52.42 H new ATOM 0 HD21 ASN A 2 -4.283 -2.956 -12.724 1.00 11.42 H new ATOM 0 HD22 ASN A 2 -4.008 -1.372 -11.991 1.00 11.42 H new ATOM 32 N ALA A 3 -0.700 0.164 -9.767 1.00 20.35 N ATOM 33 CA ALA A 3 -1.170 0.448 -8.416 1.00 42.24 C ATOM 34 C ALA A 3 -2.071 1.678 -8.396 1.00 43.45 C ATOM 35 O ALA A 3 -1.636 2.772 -8.037 1.00 20.14 O ATOM 36 CB ALA A 3 0.011 0.641 -7.476 1.00 51.03 C ATOM 0 H ALA A 3 0.003 0.816 -10.115 1.00 20.35 H new ATOM 0 HA ALA A 3 -1.756 -0.405 -8.075 1.00 42.24 H new ATOM 0 HB1 ALA A 3 -0.355 0.852 -6.471 1.00 51.03 H new ATOM 0 HB2 ALA A 3 0.615 -0.266 -7.459 1.00 51.03 H new ATOM 0 HB3 ALA A 3 0.620 1.476 -7.823 1.00 51.03 H new ATOM 42 N ALA A 4 -3.328 1.492 -8.786 1.00 44.11 N ATOM 43 CA ALA A 4 -4.290 2.587 -8.812 1.00 23.35 C ATOM 44 C ALA A 4 -5.716 2.068 -8.659 1.00 25.04 C ATOM 45 O ALA A 4 -5.958 0.864 -8.728 1.00 23.43 O ATOM 46 CB ALA A 4 -4.151 3.382 -10.101 1.00 62.34 C ATOM 0 H ALA A 4 -3.704 0.593 -9.088 1.00 44.11 H new ATOM 0 HA ALA A 4 -4.078 3.244 -7.969 1.00 23.35 H new ATOM 0 HB1 ALA A 4 -4.876 4.196 -10.106 1.00 62.34 H new ATOM 0 HB2 ALA A 4 -3.143 3.792 -10.168 1.00 62.34 H new ATOM 0 HB3 ALA A 4 -4.334 2.728 -10.953 1.00 62.34 H new ATOM 52 N GLU A 5 -6.655 2.985 -8.450 1.00 1.22 N ATOM 53 CA GLU A 5 -8.057 2.618 -8.286 1.00 4.44 C ATOM 54 C GLU A 5 -8.813 2.754 -9.604 1.00 44.02 C ATOM 55 O GLU A 5 -9.135 3.860 -10.037 1.00 14.52 O ATOM 56 CB GLU A 5 -8.714 3.493 -7.216 1.00 2.30 C ATOM 57 CG GLU A 5 -8.048 3.392 -5.854 1.00 12.42 C ATOM 58 CD GLU A 5 -9.050 3.354 -4.716 1.00 72.23 C ATOM 59 OE1 GLU A 5 -10.189 3.826 -4.914 1.00 13.53 O ATOM 60 OE2 GLU A 5 -8.696 2.852 -3.629 1.00 62.34 O ATOM 0 H GLU A 5 -6.471 3.986 -8.390 1.00 1.22 H new ATOM 0 HA GLU A 5 -8.099 1.576 -7.969 1.00 4.44 H new ATOM 0 HB2 GLU A 5 -8.693 4.532 -7.545 1.00 2.30 H new ATOM 0 HB3 GLU A 5 -9.762 3.210 -7.120 1.00 2.30 H new ATOM 0 HG2 GLU A 5 -7.432 2.493 -5.821 1.00 12.42 H new ATOM 0 HG3 GLU A 5 -7.380 4.242 -5.717 1.00 12.42 H new ATOM 67 N VAL A 6 -9.091 1.620 -10.239 1.00 75.10 N ATOM 68 CA VAL A 6 -9.810 1.611 -11.508 1.00 24.31 C ATOM 69 C VAL A 6 -11.197 0.999 -11.350 1.00 20.24 C ATOM 70 O VAL A 6 -11.349 -0.223 -11.328 1.00 63.04 O ATOM 71 CB VAL A 6 -9.035 0.828 -12.585 1.00 54.43 C ATOM 72 CG1 VAL A 6 -9.885 0.657 -13.835 1.00 51.22 C ATOM 73 CG2 VAL A 6 -7.725 1.528 -12.913 1.00 52.41 C ATOM 0 H VAL A 6 -8.829 0.696 -9.896 1.00 75.10 H new ATOM 0 HA VAL A 6 -9.909 2.650 -11.824 1.00 24.31 H new ATOM 0 HB VAL A 6 -8.803 -0.162 -12.194 1.00 54.43 H new ATOM 0 HG11 VAL A 6 -9.322 0.102 -14.585 1.00 51.22 H new ATOM 0 HG12 VAL A 6 -10.794 0.110 -13.585 1.00 51.22 H new ATOM 0 HG13 VAL A 6 -10.150 1.637 -14.232 1.00 51.22 H new ATOM 0 HG21 VAL A 6 -7.191 0.961 -13.675 1.00 52.41 H new ATOM 0 HG22 VAL A 6 -7.932 2.531 -13.285 1.00 52.41 H new ATOM 0 HG23 VAL A 6 -7.112 1.594 -12.014 1.00 52.41 H new ATOM 83 N ILE A 7 -12.206 1.856 -11.239 1.00 74.35 N ATOM 84 CA ILE A 7 -13.582 1.399 -11.085 1.00 10.21 C ATOM 85 C ILE A 7 -14.403 1.696 -12.335 1.00 35.21 C ATOM 86 O ILE A 7 -14.535 2.849 -12.746 1.00 23.14 O ATOM 87 CB ILE A 7 -14.261 2.058 -9.870 1.00 2.52 C ATOM 88 CG1 ILE A 7 -15.732 1.644 -9.792 1.00 65.44 C ATOM 89 CG2 ILE A 7 -14.135 3.573 -9.950 1.00 75.40 C ATOM 90 CD1 ILE A 7 -16.320 1.762 -8.404 1.00 74.21 C ATOM 0 H ILE A 7 -12.097 2.870 -11.253 1.00 74.35 H new ATOM 0 HA ILE A 7 -13.541 0.321 -10.928 1.00 10.21 H new ATOM 0 HB ILE A 7 -13.759 1.718 -8.964 1.00 2.52 H new ATOM 0 HG12 ILE A 7 -16.312 2.262 -10.477 1.00 65.44 H new ATOM 0 HG13 ILE A 7 -15.829 0.613 -10.133 1.00 65.44 H new ATOM 0 HG21 ILE A 7 -14.620 4.025 -9.084 1.00 75.40 H new ATOM 0 HG22 ILE A 7 -13.081 3.850 -9.961 1.00 75.40 H new ATOM 0 HG23 ILE A 7 -14.614 3.930 -10.862 1.00 75.40 H new ATOM 0 HD11 ILE A 7 -17.365 1.452 -8.424 1.00 74.21 H new ATOM 0 HD12 ILE A 7 -15.765 1.122 -7.718 1.00 74.21 H new ATOM 0 HD13 ILE A 7 -16.255 2.797 -8.068 1.00 74.21 H new ATOM 102 N VAL A 8 -14.957 0.647 -12.936 1.00 23.14 N ATOM 103 CA VAL A 8 -15.769 0.795 -14.138 1.00 24.44 C ATOM 104 C VAL A 8 -17.085 0.036 -14.008 1.00 41.32 C ATOM 105 O VAL A 8 -17.160 -0.986 -13.326 1.00 12.21 O ATOM 106 CB VAL A 8 -15.020 0.292 -15.386 1.00 63.30 C ATOM 107 CG1 VAL A 8 -13.645 0.936 -15.480 1.00 52.20 C ATOM 108 CG2 VAL A 8 -14.906 -1.225 -15.364 1.00 30.14 C ATOM 0 H VAL A 8 -14.858 -0.314 -12.610 1.00 23.14 H new ATOM 0 HA VAL A 8 -15.976 1.859 -14.252 1.00 24.44 H new ATOM 0 HB VAL A 8 -15.590 0.578 -16.270 1.00 63.30 H new ATOM 0 HG11 VAL A 8 -13.131 0.568 -16.368 1.00 52.20 H new ATOM 0 HG12 VAL A 8 -13.754 2.019 -15.546 1.00 52.20 H new ATOM 0 HG13 VAL A 8 -13.063 0.683 -14.593 1.00 52.20 H new ATOM 0 HG21 VAL A 8 -14.374 -1.563 -16.253 1.00 30.14 H new ATOM 0 HG22 VAL A 8 -14.359 -1.536 -14.474 1.00 30.14 H new ATOM 0 HG23 VAL A 8 -15.903 -1.665 -15.349 1.00 30.14 H new ATOM 118 N TYR A 9 -18.120 0.543 -14.668 1.00 14.31 N ATOM 119 CA TYR A 9 -19.435 -0.085 -14.626 1.00 15.05 C ATOM 120 C TYR A 9 -19.780 -0.720 -15.969 1.00 45.14 C ATOM 121 O TYR A 9 -19.511 -0.147 -17.025 1.00 33.21 O ATOM 122 CB TYR A 9 -20.503 0.943 -14.246 1.00 61.13 C ATOM 123 CG TYR A 9 -20.545 1.255 -12.767 1.00 63.14 C ATOM 124 CD1 TYR A 9 -19.422 1.740 -12.108 1.00 22.21 C ATOM 125 CD2 TYR A 9 -21.706 1.064 -12.029 1.00 52.04 C ATOM 126 CE1 TYR A 9 -19.455 2.026 -10.757 1.00 21.33 C ATOM 127 CE2 TYR A 9 -21.749 1.349 -10.678 1.00 61.43 C ATOM 128 CZ TYR A 9 -20.621 1.829 -10.046 1.00 62.15 C ATOM 129 OH TYR A 9 -20.659 2.112 -8.700 1.00 41.24 O ATOM 0 H TYR A 9 -18.074 1.387 -15.239 1.00 14.31 H new ATOM 0 HA TYR A 9 -19.410 -0.870 -13.870 1.00 15.05 H new ATOM 0 HB2 TYR A 9 -20.320 1.865 -14.798 1.00 61.13 H new ATOM 0 HB3 TYR A 9 -21.479 0.572 -14.558 1.00 61.13 H new ATOM 0 HD1 TYR A 9 -18.508 1.896 -12.661 1.00 22.21 H new ATOM 0 HD2 TYR A 9 -22.591 0.686 -12.520 1.00 52.04 H new ATOM 0 HE1 TYR A 9 -18.573 2.402 -10.260 1.00 21.33 H new ATOM 0 HE2 TYR A 9 -22.661 1.197 -10.120 1.00 61.43 H new ATOM 0 HH TYR A 9 -19.770 1.972 -8.311 1.00 41.24 H new ATOM 139 N GLU A 10 -20.376 -1.907 -15.920 1.00 40.03 N ATOM 140 CA GLU A 10 -20.757 -2.620 -17.134 1.00 20.44 C ATOM 141 C GLU A 10 -22.215 -2.348 -17.490 1.00 15.41 C ATOM 142 O GLU A 10 -22.881 -3.178 -18.110 1.00 64.00 O ATOM 143 CB GLU A 10 -20.536 -4.124 -16.958 1.00 71.32 C ATOM 144 CG GLU A 10 -19.103 -4.562 -17.209 1.00 21.31 C ATOM 145 CD GLU A 10 -18.092 -3.686 -16.496 1.00 2.23 C ATOM 146 OE1 GLU A 10 -18.001 -3.774 -15.253 1.00 53.54 O ATOM 147 OE2 GLU A 10 -17.391 -2.912 -17.181 1.00 4.01 O ATOM 0 H GLU A 10 -20.605 -2.395 -15.054 1.00 40.03 H new ATOM 0 HA GLU A 10 -20.129 -2.260 -17.949 1.00 20.44 H new ATOM 0 HB2 GLU A 10 -20.822 -4.409 -15.945 1.00 71.32 H new ATOM 0 HB3 GLU A 10 -21.196 -4.662 -17.639 1.00 71.32 H new ATOM 0 HG2 GLU A 10 -18.980 -5.594 -16.880 1.00 21.31 H new ATOM 0 HG3 GLU A 10 -18.903 -4.543 -18.280 1.00 21.31 H new ATOM 154 N HIS A 11 -22.707 -1.178 -17.093 1.00 22.02 N ATOM 155 CA HIS A 11 -24.087 -0.795 -17.370 1.00 4.32 C ATOM 156 C HIS A 11 -24.365 0.624 -16.881 1.00 20.40 C ATOM 157 O HIS A 11 -23.450 1.347 -16.487 1.00 65.54 O ATOM 158 CB HIS A 11 -25.054 -1.775 -16.705 1.00 44.30 C ATOM 159 CG HIS A 11 -26.024 -2.399 -17.660 1.00 14.23 C ATOM 160 ND1 HIS A 11 -26.718 -1.676 -18.608 1.00 23.33 N ATOM 161 CD2 HIS A 11 -26.415 -3.686 -17.810 1.00 63.12 C ATOM 162 CE1 HIS A 11 -27.494 -2.492 -19.299 1.00 1.22 C ATOM 163 NE2 HIS A 11 -27.328 -3.717 -18.835 1.00 33.41 N ATOM 0 H HIS A 11 -22.171 -0.479 -16.579 1.00 22.02 H new ATOM 0 HA HIS A 11 -24.237 -0.825 -18.449 1.00 4.32 H new ATOM 0 HB2 HIS A 11 -24.481 -2.562 -16.215 1.00 44.30 H new ATOM 0 HB3 HIS A 11 -25.609 -1.253 -15.925 1.00 44.30 H new ATOM 0 HD2 HIS A 11 -26.073 -4.531 -17.231 1.00 63.12 H new ATOM 0 HE1 HIS A 11 -28.152 -2.206 -20.106 1.00 1.22 H new ATOM 0 HE2 HIS A 11 -27.801 -4.551 -19.182 1.00 33.41 H new ATOM 171 N VAL A 12 -25.635 1.016 -16.910 1.00 22.35 N ATOM 172 CA VAL A 12 -26.034 2.347 -16.469 1.00 41.12 C ATOM 173 C VAL A 12 -25.726 2.552 -14.990 1.00 72.02 C ATOM 174 O VAL A 12 -25.648 1.593 -14.224 1.00 2.14 O ATOM 175 CB VAL A 12 -27.536 2.591 -16.708 1.00 62.44 C ATOM 176 CG1 VAL A 12 -28.372 1.747 -15.758 1.00 63.11 C ATOM 177 CG2 VAL A 12 -27.867 4.067 -16.555 1.00 3.52 C ATOM 0 H VAL A 12 -26.405 0.431 -17.234 1.00 22.35 H new ATOM 0 HA VAL A 12 -25.459 3.061 -17.059 1.00 41.12 H new ATOM 0 HB VAL A 12 -27.777 2.293 -17.728 1.00 62.44 H new ATOM 0 HG11 VAL A 12 -29.430 1.933 -15.942 1.00 63.11 H new ATOM 0 HG12 VAL A 12 -28.155 0.692 -15.922 1.00 63.11 H new ATOM 0 HG13 VAL A 12 -28.131 2.011 -14.728 1.00 63.11 H new ATOM 0 HG21 VAL A 12 -28.932 4.221 -16.727 1.00 3.52 H new ATOM 0 HG22 VAL A 12 -27.611 4.395 -15.547 1.00 3.52 H new ATOM 0 HG23 VAL A 12 -27.295 4.645 -17.281 1.00 3.52 H new ATOM 187 N ASN A 13 -25.553 3.809 -14.596 1.00 51.51 N ATOM 188 CA ASN A 13 -25.254 4.141 -13.208 1.00 22.03 C ATOM 189 C ASN A 13 -26.284 3.524 -12.267 1.00 31.12 C ATOM 190 O ASN A 13 -25.939 2.757 -11.368 1.00 22.31 O ATOM 191 CB ASN A 13 -25.220 5.659 -13.020 1.00 42.10 C ATOM 192 CG ASN A 13 -25.036 6.058 -11.569 1.00 10.24 C ATOM 193 OD1 ASN A 13 -24.099 5.614 -10.905 1.00 10.10 O ATOM 194 ND2 ASN A 13 -25.933 6.901 -11.069 1.00 23.53 N ATOM 0 H ASN A 13 -25.615 4.615 -15.218 1.00 51.51 H new ATOM 0 HA ASN A 13 -24.274 3.730 -12.966 1.00 22.03 H new ATOM 0 HB2 ASN A 13 -24.408 6.078 -13.615 1.00 42.10 H new ATOM 0 HB3 ASN A 13 -26.147 6.090 -13.398 1.00 42.10 H new ATOM 0 HD21 ASN A 13 -25.861 7.205 -10.098 1.00 23.53 H new ATOM 0 HD22 ASN A 13 -26.694 7.244 -11.656 1.00 23.53 H new ATOM 201 N PHE A 14 -27.551 3.864 -12.480 1.00 61.14 N ATOM 202 CA PHE A 14 -28.632 3.344 -11.652 1.00 12.04 C ATOM 203 C PHE A 14 -29.160 2.026 -12.210 1.00 71.13 C ATOM 204 O PHE A 14 -30.369 1.802 -12.265 1.00 65.22 O ATOM 205 CB PHE A 14 -29.769 4.364 -11.560 1.00 40.03 C ATOM 206 CG PHE A 14 -30.041 5.076 -12.854 1.00 45.45 C ATOM 207 CD1 PHE A 14 -30.348 4.363 -14.002 1.00 5.20 C ATOM 208 CD2 PHE A 14 -29.988 6.459 -12.924 1.00 12.34 C ATOM 209 CE1 PHE A 14 -30.598 5.016 -15.194 1.00 73.45 C ATOM 210 CE2 PHE A 14 -30.238 7.117 -14.113 1.00 14.10 C ATOM 211 CZ PHE A 14 -30.543 6.394 -15.250 1.00 44.41 C ATOM 0 H PHE A 14 -27.854 4.498 -13.220 1.00 61.14 H new ATOM 0 HA PHE A 14 -28.235 3.162 -10.653 1.00 12.04 H new ATOM 0 HB2 PHE A 14 -30.677 3.856 -11.236 1.00 40.03 H new ATOM 0 HB3 PHE A 14 -29.525 5.100 -10.794 1.00 40.03 H new ATOM 0 HD1 PHE A 14 -30.392 3.285 -13.965 1.00 5.20 H new ATOM 0 HD2 PHE A 14 -29.748 7.029 -12.039 1.00 12.34 H new ATOM 0 HE1 PHE A 14 -30.836 4.448 -16.081 1.00 73.45 H new ATOM 0 HE2 PHE A 14 -30.195 8.195 -14.153 1.00 14.10 H new ATOM 0 HZ PHE A 14 -30.738 6.906 -16.181 1.00 44.41 H new ATOM 221 N GLY A 15 -28.244 1.156 -12.625 1.00 43.20 N ATOM 222 CA GLY A 15 -28.635 -0.128 -13.175 1.00 33.41 C ATOM 223 C GLY A 15 -27.444 -0.965 -13.599 1.00 14.03 C ATOM 224 O GLY A 15 -27.476 -1.621 -14.639 1.00 13.10 O ATOM 0 H GLY A 15 -27.238 1.318 -12.590 1.00 43.20 H new ATOM 0 HA2 GLY A 15 -29.214 -0.676 -12.432 1.00 33.41 H new ATOM 0 HA3 GLY A 15 -29.287 0.032 -14.034 1.00 33.41 H new ATOM 228 N GLY A 16 -26.389 -0.941 -12.791 1.00 25.12 N ATOM 229 CA GLY A 16 -25.196 -1.706 -13.106 1.00 0.41 C ATOM 230 C GLY A 16 -24.322 -1.944 -11.890 1.00 40.25 C ATOM 231 O GLY A 16 -24.423 -1.228 -10.894 1.00 5.12 O ATOM 0 H GLY A 16 -26.339 -0.406 -11.924 1.00 25.12 H new ATOM 0 HA2 GLY A 16 -25.486 -2.665 -13.535 1.00 0.41 H new ATOM 0 HA3 GLY A 16 -24.620 -1.178 -13.866 1.00 0.41 H new ATOM 235 N LYS A 17 -23.462 -2.954 -11.971 1.00 13.33 N ATOM 236 CA LYS A 17 -22.567 -3.286 -10.869 1.00 44.12 C ATOM 237 C LYS A 17 -21.249 -2.528 -10.992 1.00 2.33 C ATOM 238 O LYS A 17 -20.804 -2.211 -12.095 1.00 71.31 O ATOM 239 CB LYS A 17 -22.299 -4.792 -10.839 1.00 35.54 C ATOM 240 CG LYS A 17 -21.354 -5.265 -11.930 1.00 11.24 C ATOM 241 CD LYS A 17 -20.051 -5.789 -11.350 1.00 2.40 C ATOM 242 CE LYS A 17 -20.281 -7.016 -10.482 1.00 25.13 C ATOM 243 NZ LYS A 17 -19.920 -6.764 -9.059 1.00 22.40 N ATOM 0 H LYS A 17 -23.366 -3.557 -12.788 1.00 13.33 H new ATOM 0 HA LYS A 17 -23.052 -2.990 -9.938 1.00 44.12 H new ATOM 0 HB2 LYS A 17 -21.882 -5.059 -9.868 1.00 35.54 H new ATOM 0 HB3 LYS A 17 -23.246 -5.323 -10.935 1.00 35.54 H new ATOM 0 HG2 LYS A 17 -21.835 -6.050 -12.514 1.00 11.24 H new ATOM 0 HG3 LYS A 17 -21.144 -4.442 -12.613 1.00 11.24 H new ATOM 0 HD2 LYS A 17 -19.365 -6.038 -12.160 1.00 2.40 H new ATOM 0 HD3 LYS A 17 -19.575 -5.007 -10.758 1.00 2.40 H new ATOM 0 HE2 LYS A 17 -21.328 -7.314 -10.544 1.00 25.13 H new ATOM 0 HE3 LYS A 17 -19.690 -7.848 -10.865 1.00 25.13 H new ATOM 0 HZ1 LYS A 17 -20.479 -7.388 -8.443 1.00 22.40 H new ATOM 0 HZ2 LYS A 17 -18.907 -6.955 -8.919 1.00 22.40 H new ATOM 0 HZ3 LYS A 17 -20.121 -5.772 -8.820 1.00 22.40 H new ATOM 257 N SER A 18 -20.628 -2.240 -9.852 1.00 32.41 N ATOM 258 CA SER A 18 -19.362 -1.517 -9.832 1.00 71.30 C ATOM 259 C SER A 18 -18.183 -2.484 -9.901 1.00 15.42 C ATOM 260 O SER A 18 -17.974 -3.291 -8.995 1.00 40.12 O ATOM 261 CB SER A 18 -19.260 -0.660 -8.569 1.00 51.32 C ATOM 262 OG SER A 18 -18.983 -1.458 -7.432 1.00 30.04 O ATOM 0 H SER A 18 -20.981 -2.497 -8.930 1.00 32.41 H new ATOM 0 HA SER A 18 -19.329 -0.868 -10.707 1.00 71.30 H new ATOM 0 HB2 SER A 18 -18.475 0.085 -8.694 1.00 51.32 H new ATOM 0 HB3 SER A 18 -20.193 -0.117 -8.418 1.00 51.32 H new ATOM 0 HG SER A 18 -18.884 -2.394 -7.705 1.00 30.04 H new ATOM 268 N PHE A 19 -17.416 -2.395 -10.982 1.00 52.13 N ATOM 269 CA PHE A 19 -16.259 -3.261 -11.171 1.00 64.35 C ATOM 270 C PHE A 19 -14.983 -2.579 -10.685 1.00 53.25 C ATOM 271 O PHE A 19 -14.406 -1.747 -11.386 1.00 20.02 O ATOM 272 CB PHE A 19 -16.116 -3.643 -12.646 1.00 51.34 C ATOM 273 CG PHE A 19 -15.901 -5.113 -12.867 1.00 50.33 C ATOM 274 CD1 PHE A 19 -14.649 -5.678 -12.686 1.00 33.25 C ATOM 275 CD2 PHE A 19 -16.951 -5.929 -13.257 1.00 44.14 C ATOM 276 CE1 PHE A 19 -14.448 -7.031 -12.888 1.00 10.34 C ATOM 277 CE2 PHE A 19 -16.755 -7.282 -13.461 1.00 14.15 C ATOM 278 CZ PHE A 19 -15.502 -7.833 -13.277 1.00 34.33 C ATOM 0 H PHE A 19 -17.575 -1.732 -11.740 1.00 52.13 H new ATOM 0 HA PHE A 19 -16.414 -4.165 -10.582 1.00 64.35 H new ATOM 0 HB2 PHE A 19 -17.012 -3.330 -13.182 1.00 51.34 H new ATOM 0 HB3 PHE A 19 -15.279 -3.093 -13.076 1.00 51.34 H new ATOM 0 HD1 PHE A 19 -13.821 -5.055 -12.384 1.00 33.25 H new ATOM 0 HD2 PHE A 19 -17.933 -5.503 -13.403 1.00 44.14 H new ATOM 0 HE1 PHE A 19 -13.468 -7.460 -12.742 1.00 10.34 H new ATOM 0 HE2 PHE A 19 -17.581 -7.908 -13.764 1.00 14.15 H new ATOM 0 HZ PHE A 19 -15.347 -8.890 -13.437 1.00 34.33 H new ATOM 288 N ASP A 20 -14.550 -2.936 -9.482 1.00 33.44 N ATOM 289 CA ASP A 20 -13.343 -2.360 -8.901 1.00 13.22 C ATOM 290 C ASP A 20 -12.112 -3.173 -9.288 1.00 0.11 C ATOM 291 O ASP A 20 -11.770 -4.153 -8.626 1.00 41.44 O ATOM 292 CB ASP A 20 -13.467 -2.292 -7.378 1.00 2.22 C ATOM 293 CG ASP A 20 -14.879 -1.979 -6.925 1.00 13.41 C ATOM 294 OD1 ASP A 20 -15.739 -2.882 -6.993 1.00 62.24 O ATOM 295 OD2 ASP A 20 -15.125 -0.830 -6.501 1.00 70.11 O ATOM 0 H ASP A 20 -15.017 -3.622 -8.889 1.00 33.44 H new ATOM 0 HA ASP A 20 -13.227 -1.350 -9.294 1.00 13.22 H new ATOM 0 HB2 ASP A 20 -13.153 -3.243 -6.948 1.00 2.22 H new ATOM 0 HB3 ASP A 20 -12.788 -1.530 -6.995 1.00 2.22 H new ATOM 300 N ALA A 21 -11.451 -2.760 -10.364 1.00 61.04 N ATOM 301 CA ALA A 21 -10.257 -3.449 -10.839 1.00 35.30 C ATOM 302 C ALA A 21 -9.032 -3.049 -10.024 1.00 70.43 C ATOM 303 O ALA A 21 -8.631 -1.885 -10.016 1.00 54.21 O ATOM 304 CB ALA A 21 -10.031 -3.157 -12.315 1.00 0.02 C ATOM 0 H ALA A 21 -11.722 -1.951 -10.924 1.00 61.04 H new ATOM 0 HA ALA A 21 -10.411 -4.521 -10.712 1.00 35.30 H new ATOM 0 HB1 ALA A 21 -9.136 -3.678 -12.656 1.00 0.02 H new ATOM 0 HB2 ALA A 21 -10.892 -3.500 -12.890 1.00 0.02 H new ATOM 0 HB3 ALA A 21 -9.903 -2.084 -12.458 1.00 0.02 H new ATOM 310 N THR A 22 -8.440 -4.022 -9.338 1.00 64.15 N ATOM 311 CA THR A 22 -7.261 -3.771 -8.519 1.00 21.10 C ATOM 312 C THR A 22 -6.027 -4.444 -9.110 1.00 11.23 C ATOM 313 O THR A 22 -6.057 -4.937 -10.237 1.00 51.12 O ATOM 314 CB THR A 22 -7.463 -4.271 -7.076 1.00 60.11 C ATOM 315 OG1 THR A 22 -7.434 -5.702 -7.045 1.00 72.41 O ATOM 316 CG2 THR A 22 -8.785 -3.773 -6.511 1.00 5.01 C ATOM 0 H THR A 22 -8.758 -4.991 -9.334 1.00 64.15 H new ATOM 0 HA THR A 22 -7.110 -2.692 -8.504 1.00 21.10 H new ATOM 0 HB THR A 22 -6.653 -3.878 -6.462 1.00 60.11 H new ATOM 0 HG1 THR A 22 -7.561 -6.012 -6.124 1.00 72.41 H new ATOM 0 HG21 THR A 22 -8.906 -4.139 -5.491 1.00 5.01 H new ATOM 0 HG22 THR A 22 -8.792 -2.683 -6.509 1.00 5.01 H new ATOM 0 HG23 THR A 22 -9.606 -4.140 -7.128 1.00 5.01 H new ATOM 324 N SER A 23 -4.943 -4.461 -8.341 1.00 21.11 N ATOM 325 CA SER A 23 -3.697 -5.071 -8.790 1.00 60.21 C ATOM 326 C SER A 23 -3.777 -6.593 -8.708 1.00 44.50 C ATOM 327 O SER A 23 -3.000 -7.228 -7.995 1.00 31.23 O ATOM 328 CB SER A 23 -2.524 -4.564 -7.949 1.00 20.32 C ATOM 329 OG SER A 23 -1.290 -5.048 -8.451 1.00 11.14 O ATOM 0 H SER A 23 -4.902 -4.059 -7.404 1.00 21.11 H new ATOM 0 HA SER A 23 -3.537 -4.789 -9.831 1.00 60.21 H new ATOM 0 HB2 SER A 23 -2.517 -3.474 -7.948 1.00 20.32 H new ATOM 0 HB3 SER A 23 -2.650 -4.883 -6.914 1.00 20.32 H new ATOM 0 HG SER A 23 -1.296 -6.028 -8.443 1.00 11.14 H new ATOM 335 N ASP A 24 -4.721 -7.170 -9.443 1.00 44.41 N ATOM 336 CA ASP A 24 -4.902 -8.616 -9.455 1.00 75.55 C ATOM 337 C ASP A 24 -5.773 -9.045 -10.633 1.00 44.20 C ATOM 338 O ASP A 24 -5.448 -9.997 -11.342 1.00 32.12 O ATOM 339 CB ASP A 24 -5.533 -9.084 -8.143 1.00 11.22 C ATOM 340 CG ASP A 24 -5.321 -10.564 -7.893 1.00 71.14 C ATOM 341 OD1 ASP A 24 -4.151 -10.999 -7.862 1.00 63.33 O ATOM 342 OD2 ASP A 24 -6.325 -11.287 -7.728 1.00 74.43 O ATOM 0 H ASP A 24 -5.372 -6.658 -10.038 1.00 44.41 H new ATOM 0 HA ASP A 24 -3.921 -9.079 -9.563 1.00 75.55 H new ATOM 0 HB2 ASP A 24 -5.109 -8.515 -7.316 1.00 11.22 H new ATOM 0 HB3 ASP A 24 -6.602 -8.871 -8.161 1.00 11.22 H new ATOM 347 N GLN A 25 -6.878 -8.336 -10.834 1.00 15.51 N ATOM 348 CA GLN A 25 -7.796 -8.644 -11.925 1.00 22.25 C ATOM 349 C GLN A 25 -7.371 -7.940 -13.209 1.00 11.32 C ATOM 350 O GLN A 25 -6.596 -6.983 -13.194 1.00 30.21 O ATOM 351 CB GLN A 25 -9.221 -8.234 -11.551 1.00 75.24 C ATOM 352 CG GLN A 25 -9.974 -9.296 -10.765 1.00 5.53 C ATOM 353 CD GLN A 25 -9.184 -9.810 -9.577 1.00 35.11 C ATOM 354 OE1 GLN A 25 -8.456 -10.798 -9.681 1.00 54.34 O ATOM 355 NE2 GLN A 25 -9.325 -9.142 -8.438 1.00 42.42 N ATOM 0 H GLN A 25 -7.160 -7.544 -10.256 1.00 15.51 H new ATOM 0 HA GLN A 25 -7.769 -9.720 -12.097 1.00 22.25 H new ATOM 0 HB2 GLN A 25 -9.184 -7.317 -10.963 1.00 75.24 H new ATOM 0 HB3 GLN A 25 -9.775 -8.006 -12.461 1.00 75.24 H new ATOM 0 HG2 GLN A 25 -10.920 -8.882 -10.416 1.00 5.53 H new ATOM 0 HG3 GLN A 25 -10.214 -10.129 -11.425 1.00 5.53 H new ATOM 0 HE21 GLN A 25 -9.939 -8.328 -8.397 1.00 42.42 H new ATOM 0 HE22 GLN A 25 -8.819 -9.442 -7.605 1.00 42.42 H new ATOM 364 N PRO A 26 -7.889 -8.422 -14.348 1.00 73.20 N ATOM 365 CA PRO A 26 -7.578 -7.853 -15.663 1.00 22.33 C ATOM 366 C PRO A 26 -8.407 -6.611 -15.968 1.00 14.20 C ATOM 367 O PRO A 26 -7.865 -5.553 -16.286 1.00 72.33 O ATOM 368 CB PRO A 26 -7.932 -8.984 -16.632 1.00 31.15 C ATOM 369 CG PRO A 26 -8.925 -9.816 -15.896 1.00 22.33 C ATOM 370 CD PRO A 26 -8.820 -9.560 -14.440 1.00 44.25 C ATOM 0 HA PRO A 26 -6.541 -7.525 -15.730 1.00 22.33 H new ATOM 0 HB2 PRO A 26 -8.352 -8.594 -17.559 1.00 31.15 H new ATOM 0 HB3 PRO A 26 -7.050 -9.565 -16.901 1.00 31.15 H new ATOM 0 HG2 PRO A 26 -9.933 -9.586 -16.242 1.00 22.33 H new ATOM 0 HG3 PRO A 26 -8.751 -10.872 -16.102 1.00 22.33 H new ATOM 0 HD2 PRO A 26 -9.790 -9.319 -14.006 1.00 44.25 H new ATOM 0 HD3 PRO A 26 -8.440 -10.432 -13.907 1.00 44.25 H new ATOM 378 N GLY A 27 -9.726 -6.746 -15.868 1.00 54.02 N ATOM 379 CA GLY A 27 -10.609 -5.626 -16.137 1.00 13.03 C ATOM 380 C GLY A 27 -12.057 -5.938 -15.811 1.00 44.40 C ATOM 381 O GLY A 27 -12.465 -5.879 -14.652 1.00 33.52 O ATOM 0 H GLY A 27 -10.199 -7.611 -15.606 1.00 54.02 H new ATOM 0 HA2 GLY A 27 -10.286 -4.764 -15.553 1.00 13.03 H new ATOM 0 HA3 GLY A 27 -10.528 -5.348 -17.188 1.00 13.03 H new ATOM 385 N ALA A 28 -12.834 -6.268 -16.837 1.00 14.32 N ATOM 386 CA ALA A 28 -14.244 -6.590 -16.654 1.00 12.22 C ATOM 387 C ALA A 28 -14.697 -7.657 -17.645 1.00 3.21 C ATOM 388 O ALA A 28 -14.057 -7.874 -18.673 1.00 22.53 O ATOM 389 CB ALA A 28 -15.095 -5.337 -16.799 1.00 40.23 C ATOM 0 H ALA A 28 -12.511 -6.319 -17.803 1.00 14.32 H new ATOM 0 HA ALA A 28 -14.372 -6.988 -15.648 1.00 12.22 H new ATOM 0 HB1 ALA A 28 -16.145 -5.593 -16.660 1.00 40.23 H new ATOM 0 HB2 ALA A 28 -14.797 -4.606 -16.048 1.00 40.23 H new ATOM 0 HB3 ALA A 28 -14.953 -4.914 -17.793 1.00 40.23 H new ATOM 395 N GLY A 29 -15.804 -8.321 -17.328 1.00 54.42 N ATOM 396 CA GLY A 29 -16.323 -9.358 -18.201 1.00 2.21 C ATOM 397 C GLY A 29 -17.788 -9.652 -17.945 1.00 65.30 C ATOM 398 O GLY A 29 -18.170 -10.011 -16.831 1.00 53.41 O ATOM 0 H GLY A 29 -16.351 -8.160 -16.482 1.00 54.42 H new ATOM 0 HA2 GLY A 29 -16.193 -9.053 -19.239 1.00 2.21 H new ATOM 0 HA3 GLY A 29 -15.743 -10.270 -18.061 1.00 2.21 H new ATOM 402 N ASP A 30 -18.609 -9.500 -18.978 1.00 11.43 N ATOM 403 CA ASP A 30 -20.041 -9.751 -18.860 1.00 23.15 C ATOM 404 C ASP A 30 -20.657 -10.037 -20.225 1.00 62.15 C ATOM 405 O ASP A 30 -20.414 -9.313 -21.190 1.00 74.32 O ATOM 406 CB ASP A 30 -20.739 -8.554 -18.212 1.00 23.21 C ATOM 407 CG ASP A 30 -20.532 -8.506 -16.711 1.00 5.31 C ATOM 408 OD1 ASP A 30 -20.616 -9.572 -16.065 1.00 52.41 O ATOM 409 OD2 ASP A 30 -20.284 -7.402 -16.182 1.00 21.21 O ATOM 0 H ASP A 30 -18.308 -9.204 -19.907 1.00 11.43 H new ATOM 0 HA ASP A 30 -20.180 -10.628 -18.228 1.00 23.15 H new ATOM 0 HB2 ASP A 30 -20.363 -7.633 -18.657 1.00 23.21 H new ATOM 0 HB3 ASP A 30 -21.807 -8.599 -18.427 1.00 23.21 H new ATOM 414 N ASN A 31 -21.454 -11.098 -20.299 1.00 62.11 N ATOM 415 CA ASN A 31 -22.103 -11.481 -21.547 1.00 54.15 C ATOM 416 C ASN A 31 -23.458 -10.793 -21.689 1.00 20.30 C ATOM 417 O ASN A 31 -24.427 -11.165 -21.026 1.00 55.21 O ATOM 418 CB ASN A 31 -22.281 -12.999 -21.610 1.00 23.44 C ATOM 419 CG ASN A 31 -21.433 -13.637 -22.694 1.00 12.52 C ATOM 420 OD1 ASN A 31 -20.350 -13.150 -23.017 1.00 4.44 O ATOM 421 ND2 ASN A 31 -21.925 -14.732 -23.262 1.00 1.51 N ATOM 0 H ASN A 31 -21.666 -11.708 -19.509 1.00 62.11 H new ATOM 0 HA ASN A 31 -21.465 -11.163 -22.371 1.00 54.15 H new ATOM 0 HB2 ASN A 31 -22.019 -13.433 -20.645 1.00 23.44 H new ATOM 0 HB3 ASN A 31 -23.331 -13.232 -21.790 1.00 23.44 H new ATOM 0 HD21 ASN A 31 -21.400 -15.205 -23.998 1.00 1.51 H new ATOM 0 HD22 ASN A 31 -22.828 -15.100 -22.962 1.00 1.51 H new ATOM 428 N LEU A 32 -23.518 -9.790 -22.557 1.00 42.32 N ATOM 429 CA LEU A 32 -24.754 -9.050 -22.787 1.00 42.41 C ATOM 430 C LEU A 32 -24.593 -8.066 -23.941 1.00 45.53 C ATOM 431 O LEU A 32 -23.605 -8.109 -24.673 1.00 41.14 O ATOM 432 CB LEU A 32 -25.167 -8.302 -21.518 1.00 53.13 C ATOM 433 CG LEU A 32 -24.326 -7.077 -21.157 1.00 30.33 C ATOM 434 CD1 LEU A 32 -25.214 -5.858 -20.964 1.00 41.44 C ATOM 435 CD2 LEU A 32 -23.506 -7.345 -19.903 1.00 64.03 C ATOM 0 H LEU A 32 -22.725 -9.470 -23.113 1.00 42.32 H new ATOM 0 HA LEU A 32 -25.533 -9.765 -23.050 1.00 42.41 H new ATOM 0 HB2 LEU A 32 -26.204 -7.986 -21.628 1.00 53.13 H new ATOM 0 HB3 LEU A 32 -25.133 -9.000 -20.682 1.00 53.13 H new ATOM 0 HG LEU A 32 -23.641 -6.875 -21.980 1.00 30.33 H new ATOM 0 HD11 LEU A 32 -24.598 -4.996 -20.708 1.00 41.44 H new ATOM 0 HD12 LEU A 32 -25.758 -5.654 -21.887 1.00 41.44 H new ATOM 0 HD13 LEU A 32 -25.924 -6.049 -20.159 1.00 41.44 H new ATOM 0 HD21 LEU A 32 -22.913 -6.463 -19.660 1.00 64.03 H new ATOM 0 HD22 LEU A 32 -24.175 -7.573 -19.073 1.00 64.03 H new ATOM 0 HD23 LEU A 32 -22.842 -8.192 -20.077 1.00 64.03 H new ATOM 447 N ASN A 33 -25.569 -7.178 -24.096 1.00 13.40 N ATOM 448 CA ASN A 33 -25.535 -6.181 -25.160 1.00 61.02 C ATOM 449 C ASN A 33 -24.739 -4.953 -24.730 1.00 10.34 C ATOM 450 O ASN A 33 -24.625 -4.660 -23.539 1.00 61.22 O ATOM 451 CB ASN A 33 -26.957 -5.771 -25.549 1.00 44.24 C ATOM 452 CG ASN A 33 -27.035 -5.227 -26.963 1.00 1.53 C ATOM 453 OD1 ASN A 33 -26.504 -4.156 -27.258 1.00 10.44 O ATOM 454 ND2 ASN A 33 -27.700 -5.964 -27.845 1.00 3.15 N ATOM 0 H ASN A 33 -26.394 -7.128 -23.498 1.00 13.40 H new ATOM 0 HA ASN A 33 -25.043 -6.626 -26.025 1.00 61.02 H new ATOM 0 HB2 ASN A 33 -27.619 -6.632 -25.457 1.00 44.24 H new ATOM 0 HB3 ASN A 33 -27.318 -5.015 -24.851 1.00 44.24 H new ATOM 0 HD21 ASN A 33 -27.786 -5.649 -28.811 1.00 3.15 H new ATOM 0 HD22 ASN A 33 -28.124 -6.845 -27.556 1.00 3.15 H new ATOM 461 N ASP A 34 -24.191 -4.237 -25.706 1.00 34.40 N ATOM 462 CA ASP A 34 -23.408 -3.039 -25.429 1.00 25.31 C ATOM 463 C ASP A 34 -24.313 -1.876 -25.036 1.00 31.32 C ATOM 464 O ASP A 34 -24.469 -0.914 -25.788 1.00 62.44 O ATOM 465 CB ASP A 34 -22.569 -2.659 -26.650 1.00 50.12 C ATOM 466 CG ASP A 34 -21.226 -3.361 -26.672 1.00 24.14 C ATOM 467 OD1 ASP A 34 -20.591 -3.462 -25.600 1.00 75.53 O ATOM 468 OD2 ASP A 34 -20.809 -3.810 -27.759 1.00 63.25 O ATOM 0 H ASP A 34 -24.275 -4.466 -26.696 1.00 34.40 H new ATOM 0 HA ASP A 34 -22.742 -3.255 -24.593 1.00 25.31 H new ATOM 0 HB2 ASP A 34 -23.120 -2.907 -27.557 1.00 50.12 H new ATOM 0 HB3 ASP A 34 -22.412 -1.580 -26.658 1.00 50.12 H new ATOM 473 N LYS A 35 -24.910 -1.971 -23.852 1.00 65.43 N ATOM 474 CA LYS A 35 -25.800 -0.928 -23.358 1.00 21.13 C ATOM 475 C LYS A 35 -25.009 0.185 -22.678 1.00 31.13 C ATOM 476 O LYS A 35 -23.792 0.086 -22.518 1.00 31.42 O ATOM 477 CB LYS A 35 -26.816 -1.519 -22.377 1.00 41.44 C ATOM 478 CG LYS A 35 -28.213 -1.655 -22.958 1.00 1.12 C ATOM 479 CD LYS A 35 -28.206 -2.461 -24.245 1.00 65.45 C ATOM 480 CE LYS A 35 -28.429 -1.574 -25.460 1.00 41.14 C ATOM 481 NZ LYS A 35 -29.875 -1.442 -25.793 1.00 25.04 N ATOM 0 H LYS A 35 -24.793 -2.761 -23.217 1.00 65.43 H new ATOM 0 HA LYS A 35 -26.331 -0.504 -24.210 1.00 21.13 H new ATOM 0 HB2 LYS A 35 -26.469 -2.500 -22.054 1.00 41.44 H new ATOM 0 HB3 LYS A 35 -26.860 -0.889 -21.489 1.00 41.44 H new ATOM 0 HG2 LYS A 35 -28.865 -2.137 -22.230 1.00 1.12 H new ATOM 0 HG3 LYS A 35 -28.626 -0.665 -23.150 1.00 1.12 H new ATOM 0 HD2 LYS A 35 -27.254 -2.982 -24.344 1.00 65.45 H new ATOM 0 HD3 LYS A 35 -28.984 -3.223 -24.202 1.00 65.45 H new ATOM 0 HE2 LYS A 35 -28.008 -0.586 -25.271 1.00 41.14 H new ATOM 0 HE3 LYS A 35 -27.896 -1.989 -26.315 1.00 41.14 H new ATOM 0 HZ1 LYS A 35 -29.985 -0.830 -26.627 1.00 25.04 H new ATOM 0 HZ2 LYS A 35 -30.271 -2.381 -25.999 1.00 25.04 H new ATOM 0 HZ3 LYS A 35 -30.380 -1.022 -24.987 1.00 25.04 H new ATOM 495 N ILE A 36 -25.708 1.242 -22.278 1.00 42.14 N ATOM 496 CA ILE A 36 -25.070 2.372 -21.613 1.00 74.33 C ATOM 497 C ILE A 36 -24.198 1.905 -20.453 1.00 1.41 C ATOM 498 O ILE A 36 -24.626 1.101 -19.625 1.00 41.11 O ATOM 499 CB ILE A 36 -26.112 3.376 -21.086 1.00 74.22 C ATOM 500 CG1 ILE A 36 -25.421 4.508 -20.323 1.00 75.04 C ATOM 501 CG2 ILE A 36 -27.125 2.670 -20.196 1.00 4.50 C ATOM 502 CD1 ILE A 36 -26.149 5.831 -20.416 1.00 42.13 C ATOM 0 H ILE A 36 -26.716 1.340 -22.403 1.00 42.14 H new ATOM 0 HA ILE A 36 -24.446 2.866 -22.358 1.00 74.33 H new ATOM 0 HB ILE A 36 -26.642 3.807 -21.935 1.00 74.22 H new ATOM 0 HG12 ILE A 36 -25.330 4.226 -19.274 1.00 75.04 H new ATOM 0 HG13 ILE A 36 -24.409 4.631 -20.709 1.00 75.04 H new ATOM 0 HG21 ILE A 36 -27.855 3.393 -19.831 1.00 4.50 H new ATOM 0 HG22 ILE A 36 -27.636 1.896 -20.769 1.00 4.50 H new ATOM 0 HG23 ILE A 36 -26.611 2.215 -19.350 1.00 4.50 H new ATOM 0 HD11 ILE A 36 -25.603 6.587 -19.852 1.00 42.13 H new ATOM 0 HD12 ILE A 36 -26.217 6.136 -21.460 1.00 42.13 H new ATOM 0 HD13 ILE A 36 -27.152 5.724 -20.003 1.00 42.13 H new ATOM 514 N SER A 37 -22.973 2.418 -20.398 1.00 24.51 N ATOM 515 CA SER A 37 -22.038 2.052 -19.340 1.00 12.34 C ATOM 516 C SER A 37 -21.478 3.296 -18.656 1.00 53.11 C ATOM 517 O SER A 37 -21.517 4.394 -19.212 1.00 33.23 O ATOM 518 CB SER A 37 -20.894 1.211 -19.908 1.00 73.54 C ATOM 519 OG SER A 37 -20.821 -0.051 -19.266 1.00 41.42 O ATOM 0 H SER A 37 -22.605 3.088 -21.073 1.00 24.51 H new ATOM 0 HA SER A 37 -22.579 1.463 -18.600 1.00 12.34 H new ATOM 0 HB2 SER A 37 -21.039 1.070 -20.979 1.00 73.54 H new ATOM 0 HB3 SER A 37 -19.951 1.742 -19.782 1.00 73.54 H new ATOM 0 HG SER A 37 -20.463 0.063 -18.361 1.00 41.42 H new ATOM 525 N SER A 38 -20.958 3.115 -17.447 1.00 2.34 N ATOM 526 CA SER A 38 -20.393 4.223 -16.684 1.00 60.51 C ATOM 527 C SER A 38 -18.916 3.980 -16.387 1.00 52.11 C ATOM 528 O SER A 38 -18.569 3.142 -15.555 1.00 20.23 O ATOM 529 CB SER A 38 -21.163 4.414 -15.376 1.00 52.12 C ATOM 530 OG SER A 38 -22.519 4.028 -15.521 1.00 41.25 O ATOM 0 H SER A 38 -20.916 2.212 -16.974 1.00 2.34 H new ATOM 0 HA SER A 38 -20.481 5.128 -17.285 1.00 60.51 H new ATOM 0 HB2 SER A 38 -20.696 3.825 -14.586 1.00 52.12 H new ATOM 0 HB3 SER A 38 -21.110 5.458 -15.068 1.00 52.12 H new ATOM 0 HG SER A 38 -22.989 4.158 -14.671 1.00 41.25 H new ATOM 536 N ILE A 39 -18.052 4.720 -17.074 1.00 31.23 N ATOM 537 CA ILE A 39 -16.613 4.587 -16.883 1.00 71.33 C ATOM 538 C ILE A 39 -16.042 5.792 -16.144 1.00 54.33 C ATOM 539 O ILE A 39 -16.029 6.906 -16.668 1.00 43.41 O ATOM 540 CB ILE A 39 -15.880 4.429 -18.228 1.00 65.23 C ATOM 541 CG1 ILE A 39 -15.866 2.960 -18.658 1.00 13.24 C ATOM 542 CG2 ILE A 39 -14.461 4.969 -18.124 1.00 61.44 C ATOM 543 CD1 ILE A 39 -17.247 2.355 -18.785 1.00 0.44 C ATOM 0 H ILE A 39 -18.323 5.417 -17.767 1.00 31.23 H new ATOM 0 HA ILE A 39 -16.456 3.690 -16.284 1.00 71.33 H new ATOM 0 HB ILE A 39 -16.413 5.004 -18.985 1.00 65.23 H new ATOM 0 HG12 ILE A 39 -15.351 2.875 -19.615 1.00 13.24 H new ATOM 0 HG13 ILE A 39 -15.290 2.383 -17.934 1.00 13.24 H new ATOM 0 HG21 ILE A 39 -13.955 4.850 -19.082 1.00 61.44 H new ATOM 0 HG22 ILE A 39 -14.492 6.026 -17.859 1.00 61.44 H new ATOM 0 HG23 ILE A 39 -13.917 4.418 -17.356 1.00 61.44 H new ATOM 0 HD11 ILE A 39 -17.161 1.313 -19.093 1.00 0.44 H new ATOM 0 HD12 ILE A 39 -17.757 2.408 -17.823 1.00 0.44 H new ATOM 0 HD13 ILE A 39 -17.819 2.907 -19.530 1.00 0.44 H new ATOM 555 N LYS A 40 -15.570 5.562 -14.924 1.00 31.10 N ATOM 556 CA LYS A 40 -14.994 6.628 -14.112 1.00 74.51 C ATOM 557 C LYS A 40 -13.676 6.183 -13.487 1.00 0.33 C ATOM 558 O LYS A 40 -13.662 5.491 -12.469 1.00 13.13 O ATOM 559 CB LYS A 40 -15.975 7.048 -13.015 1.00 74.32 C ATOM 560 CG LYS A 40 -15.511 8.250 -12.212 1.00 50.41 C ATOM 561 CD LYS A 40 -15.615 7.997 -10.718 1.00 23.55 C ATOM 562 CE LYS A 40 -14.864 9.051 -9.920 1.00 2.54 C ATOM 563 NZ LYS A 40 -15.386 9.172 -8.530 1.00 61.12 N ATOM 0 H LYS A 40 -15.575 4.646 -14.475 1.00 31.10 H new ATOM 0 HA LYS A 40 -14.798 7.481 -14.762 1.00 74.51 H new ATOM 0 HB2 LYS A 40 -16.939 7.275 -13.469 1.00 74.32 H new ATOM 0 HB3 LYS A 40 -16.132 6.208 -12.338 1.00 74.32 H new ATOM 0 HG2 LYS A 40 -14.479 8.485 -12.471 1.00 50.41 H new ATOM 0 HG3 LYS A 40 -16.112 9.120 -12.477 1.00 50.41 H new ATOM 0 HD2 LYS A 40 -16.664 7.993 -10.421 1.00 23.55 H new ATOM 0 HD3 LYS A 40 -15.214 7.010 -10.486 1.00 23.55 H new ATOM 0 HE2 LYS A 40 -13.805 8.796 -9.889 1.00 2.54 H new ATOM 0 HE3 LYS A 40 -14.946 10.014 -10.424 1.00 2.54 H new ATOM 0 HZ1 LYS A 40 -14.848 9.901 -8.019 1.00 61.12 H new ATOM 0 HZ2 LYS A 40 -16.390 9.440 -8.558 1.00 61.12 H new ATOM 0 HZ3 LYS A 40 -15.285 8.260 -8.041 1.00 61.12 H new ATOM 577 N VAL A 41 -12.569 6.587 -14.102 1.00 23.14 N ATOM 578 CA VAL A 41 -11.245 6.233 -13.603 1.00 71.55 C ATOM 579 C VAL A 41 -10.235 7.336 -13.895 1.00 4.21 C ATOM 580 O VAL A 41 -10.356 8.060 -14.883 1.00 54.13 O ATOM 581 CB VAL A 41 -10.745 4.916 -14.227 1.00 22.12 C ATOM 582 CG1 VAL A 41 -9.431 4.489 -13.590 1.00 61.04 C ATOM 583 CG2 VAL A 41 -11.796 3.826 -14.083 1.00 24.54 C ATOM 0 H VAL A 41 -12.563 7.159 -14.946 1.00 23.14 H new ATOM 0 HA VAL A 41 -11.336 6.105 -12.524 1.00 71.55 H new ATOM 0 HB VAL A 41 -10.569 5.081 -15.290 1.00 22.12 H new ATOM 0 HG11 VAL A 41 -9.093 3.557 -14.043 1.00 61.04 H new ATOM 0 HG12 VAL A 41 -8.681 5.263 -13.750 1.00 61.04 H new ATOM 0 HG13 VAL A 41 -9.577 4.340 -12.520 1.00 61.04 H new ATOM 0 HG21 VAL A 41 -11.426 2.903 -14.529 1.00 24.54 H new ATOM 0 HG22 VAL A 41 -12.005 3.660 -13.026 1.00 24.54 H new ATOM 0 HG23 VAL A 41 -12.711 4.133 -14.590 1.00 24.54 H new ATOM 593 N LYS A 42 -9.235 7.460 -13.028 1.00 34.12 N ATOM 594 CA LYS A 42 -8.201 8.474 -13.191 1.00 42.25 C ATOM 595 C LYS A 42 -6.818 7.889 -12.922 1.00 10.53 C ATOM 596 O LYS A 42 -6.323 7.937 -11.796 1.00 23.52 O ATOM 597 CB LYS A 42 -8.460 9.653 -12.251 1.00 11.13 C ATOM 598 CG LYS A 42 -8.932 10.908 -12.964 1.00 51.21 C ATOM 599 CD LYS A 42 -10.228 11.434 -12.369 1.00 63.23 C ATOM 600 CE LYS A 42 -11.403 10.530 -12.708 1.00 14.14 C ATOM 601 NZ LYS A 42 -11.991 9.905 -11.490 1.00 42.13 N ATOM 0 H LYS A 42 -9.119 6.870 -12.204 1.00 34.12 H new ATOM 0 HA LYS A 42 -8.233 8.827 -14.222 1.00 42.25 H new ATOM 0 HB2 LYS A 42 -9.208 9.361 -11.514 1.00 11.13 H new ATOM 0 HB3 LYS A 42 -7.544 9.879 -11.704 1.00 11.13 H new ATOM 0 HG2 LYS A 42 -8.162 11.677 -12.898 1.00 51.21 H new ATOM 0 HG3 LYS A 42 -9.078 10.693 -14.023 1.00 51.21 H new ATOM 0 HD2 LYS A 42 -10.128 11.512 -11.286 1.00 63.23 H new ATOM 0 HD3 LYS A 42 -10.421 12.439 -12.744 1.00 63.23 H new ATOM 0 HE2 LYS A 42 -12.169 11.108 -13.225 1.00 14.14 H new ATOM 0 HE3 LYS A 42 -11.075 9.750 -13.394 1.00 14.14 H new ATOM 0 HZ1 LYS A 42 -12.497 9.036 -11.756 1.00 42.13 H new ATOM 0 HZ2 LYS A 42 -11.232 9.672 -10.818 1.00 42.13 H new ATOM 0 HZ3 LYS A 42 -12.655 10.570 -11.045 1.00 42.13 H new ATOM 615 N SER A 43 -6.199 7.340 -13.962 1.00 55.21 N ATOM 616 CA SER A 43 -4.875 6.744 -13.836 1.00 45.34 C ATOM 617 C SER A 43 -4.260 6.491 -15.210 1.00 34.32 C ATOM 618 O SER A 43 -4.565 5.495 -15.864 1.00 74.43 O ATOM 619 CB SER A 43 -4.954 5.434 -13.051 1.00 21.02 C ATOM 620 OG SER A 43 -3.848 4.597 -13.342 1.00 71.00 O ATOM 0 H SER A 43 -6.594 7.296 -14.902 1.00 55.21 H new ATOM 0 HA SER A 43 -4.239 7.445 -13.295 1.00 45.34 H new ATOM 0 HB2 SER A 43 -4.981 5.648 -11.983 1.00 21.02 H new ATOM 0 HB3 SER A 43 -5.881 4.915 -13.296 1.00 21.02 H new ATOM 0 HG SER A 43 -3.921 3.767 -12.826 1.00 71.00 H new ATOM 626 N GLY A 44 -3.392 7.401 -15.640 1.00 51.13 N ATOM 627 CA GLY A 44 -2.748 7.259 -16.933 1.00 52.11 C ATOM 628 C GLY A 44 -3.745 7.077 -18.060 1.00 71.34 C ATOM 629 O GLY A 44 -4.817 7.682 -18.056 1.00 14.40 O ATOM 0 H GLY A 44 -3.123 8.234 -15.116 1.00 51.13 H new ATOM 0 HA2 GLY A 44 -2.138 8.140 -17.130 1.00 52.11 H new ATOM 0 HA3 GLY A 44 -2.073 6.404 -16.907 1.00 52.11 H new ATOM 633 N THR A 45 -3.392 6.240 -19.032 1.00 4.45 N ATOM 634 CA THR A 45 -4.261 5.982 -20.172 1.00 15.10 C ATOM 635 C THR A 45 -4.662 4.513 -20.236 1.00 72.22 C ATOM 636 O THR A 45 -3.913 3.636 -19.805 1.00 52.20 O ATOM 637 CB THR A 45 -3.582 6.376 -21.497 1.00 60.52 C ATOM 638 OG1 THR A 45 -2.288 5.768 -21.583 1.00 50.45 O ATOM 639 CG2 THR A 45 -3.447 7.887 -21.608 1.00 71.35 C ATOM 0 H THR A 45 -2.509 5.729 -19.051 1.00 4.45 H new ATOM 0 HA THR A 45 -5.153 6.593 -20.034 1.00 15.10 H new ATOM 0 HB THR A 45 -4.205 6.022 -22.319 1.00 60.52 H new ATOM 0 HG1 THR A 45 -1.863 6.022 -22.429 1.00 50.45 H new ATOM 0 HG21 THR A 45 -2.965 8.141 -22.552 1.00 71.35 H new ATOM 0 HG22 THR A 45 -4.436 8.344 -21.571 1.00 71.35 H new ATOM 0 HG23 THR A 45 -2.844 8.260 -20.780 1.00 71.35 H new ATOM 647 N TRP A 46 -5.846 4.251 -20.777 1.00 75.30 N ATOM 648 CA TRP A 46 -6.346 2.886 -20.898 1.00 71.20 C ATOM 649 C TRP A 46 -6.850 2.614 -22.311 1.00 64.32 C ATOM 650 O TRP A 46 -7.180 3.540 -23.051 1.00 41.44 O ATOM 651 CB TRP A 46 -7.468 2.640 -19.887 1.00 64.15 C ATOM 652 CG TRP A 46 -7.515 3.662 -18.792 1.00 25.41 C ATOM 653 CD1 TRP A 46 -6.544 3.915 -17.865 1.00 63.04 C ATOM 654 CD2 TRP A 46 -8.588 4.565 -18.508 1.00 74.10 C ATOM 655 NE1 TRP A 46 -6.949 4.922 -17.023 1.00 35.54 N ATOM 656 CE2 TRP A 46 -8.200 5.338 -17.396 1.00 62.23 C ATOM 657 CE3 TRP A 46 -9.839 4.798 -19.086 1.00 33.31 C ATOM 658 CZ2 TRP A 46 -9.019 6.324 -16.853 1.00 22.12 C ATOM 659 CZ3 TRP A 46 -10.651 5.777 -18.545 1.00 70.40 C ATOM 660 CH2 TRP A 46 -10.238 6.530 -17.438 1.00 52.43 C ATOM 0 H TRP A 46 -6.478 4.965 -21.139 1.00 75.30 H new ATOM 0 HA TRP A 46 -5.522 2.204 -20.689 1.00 71.20 H new ATOM 0 HB2 TRP A 46 -8.424 2.634 -20.410 1.00 64.15 H new ATOM 0 HB3 TRP A 46 -7.340 1.651 -19.446 1.00 64.15 H new ATOM 0 HD1 TRP A 46 -5.597 3.399 -17.803 1.00 63.04 H new ATOM 0 HE1 TRP A 46 -6.406 5.299 -16.246 1.00 35.54 H new ATOM 0 HE3 TRP A 46 -10.165 4.223 -19.940 1.00 33.31 H new ATOM 0 HZ2 TRP A 46 -8.703 6.906 -16.000 1.00 22.12 H new ATOM 0 HZ3 TRP A 46 -11.620 5.965 -18.983 1.00 70.40 H new ATOM 0 HH2 TRP A 46 -10.895 7.288 -17.039 1.00 52.43 H new ATOM 671 N ARG A 47 -6.906 1.338 -22.679 1.00 72.13 N ATOM 672 CA ARG A 47 -7.369 0.945 -24.005 1.00 21.02 C ATOM 673 C ARG A 47 -8.702 0.208 -23.919 1.00 32.12 C ATOM 674 O ARG A 47 -8.833 -0.777 -23.192 1.00 14.25 O ATOM 675 CB ARG A 47 -6.327 0.059 -24.690 1.00 33.40 C ATOM 676 CG ARG A 47 -5.054 0.797 -25.070 1.00 31.04 C ATOM 677 CD ARG A 47 -3.885 0.380 -24.191 1.00 71.42 C ATOM 678 NE ARG A 47 -2.601 0.583 -24.856 1.00 62.23 N ATOM 679 CZ ARG A 47 -1.481 -0.036 -24.498 1.00 14.13 C ATOM 680 NH1 ARG A 47 -1.489 -0.893 -23.486 1.00 4.31 N ATOM 681 NH2 ARG A 47 -0.352 0.202 -25.152 1.00 62.40 N ATOM 0 H ARG A 47 -6.637 0.559 -22.078 1.00 72.13 H new ATOM 0 HA ARG A 47 -7.512 1.850 -24.596 1.00 21.02 H new ATOM 0 HB2 ARG A 47 -6.073 -0.768 -24.027 1.00 33.40 H new ATOM 0 HB3 ARG A 47 -6.766 -0.376 -25.588 1.00 33.40 H new ATOM 0 HG2 ARG A 47 -4.815 0.598 -26.115 1.00 31.04 H new ATOM 0 HG3 ARG A 47 -5.214 1.871 -24.979 1.00 31.04 H new ATOM 0 HD2 ARG A 47 -3.907 0.952 -23.263 1.00 71.42 H new ATOM 0 HD3 ARG A 47 -3.991 -0.671 -23.921 1.00 71.42 H new ATOM 0 HE ARG A 47 -2.562 1.236 -25.639 1.00 62.23 H new ATOM 0 HH11 ARG A 47 -2.356 -1.078 -22.981 1.00 4.31 H new ATOM 0 HH12 ARG A 47 -0.628 -1.367 -23.213 1.00 4.31 H new ATOM 0 HH21 ARG A 47 -0.343 0.861 -25.931 1.00 62.40 H new ATOM 0 HH22 ARG A 47 0.507 -0.274 -24.876 1.00 62.40 H new ATOM 695 N PHE A 48 -9.689 0.692 -24.666 1.00 32.14 N ATOM 696 CA PHE A 48 -11.013 0.080 -24.673 1.00 0.42 C ATOM 697 C PHE A 48 -11.349 -0.473 -26.054 1.00 62.44 C ATOM 698 O PHE A 48 -11.114 0.180 -27.071 1.00 43.11 O ATOM 699 CB PHE A 48 -12.072 1.100 -24.249 1.00 4.53 C ATOM 700 CG PHE A 48 -12.421 1.031 -22.789 1.00 64.24 C ATOM 701 CD1 PHE A 48 -13.358 0.120 -22.331 1.00 32.34 C ATOM 702 CD2 PHE A 48 -11.811 1.876 -21.877 1.00 4.04 C ATOM 703 CE1 PHE A 48 -13.682 0.054 -20.988 1.00 44.24 C ATOM 704 CE2 PHE A 48 -12.130 1.815 -20.533 1.00 63.21 C ATOM 705 CZ PHE A 48 -13.066 0.902 -20.088 1.00 63.14 C ATOM 0 H PHE A 48 -9.597 1.506 -25.274 1.00 32.14 H new ATOM 0 HA PHE A 48 -11.008 -0.746 -23.961 1.00 0.42 H new ATOM 0 HB2 PHE A 48 -11.713 2.103 -24.481 1.00 4.53 H new ATOM 0 HB3 PHE A 48 -12.975 0.940 -24.838 1.00 4.53 H new ATOM 0 HD1 PHE A 48 -13.841 -0.546 -23.030 1.00 32.34 H new ATOM 0 HD2 PHE A 48 -11.078 2.591 -22.220 1.00 4.04 H new ATOM 0 HE1 PHE A 48 -14.416 -0.660 -20.643 1.00 44.24 H new ATOM 0 HE2 PHE A 48 -11.648 2.480 -19.832 1.00 63.21 H new ATOM 0 HZ PHE A 48 -13.316 0.851 -19.039 1.00 63.14 H new ATOM 715 N TYR A 49 -11.899 -1.682 -26.083 1.00 31.02 N ATOM 716 CA TYR A 49 -12.265 -2.326 -27.339 1.00 23.02 C ATOM 717 C TYR A 49 -13.288 -3.433 -27.106 1.00 31.24 C ATOM 718 O TYR A 49 -13.101 -4.295 -26.247 1.00 52.41 O ATOM 719 CB TYR A 49 -11.023 -2.900 -28.022 1.00 64.14 C ATOM 720 CG TYR A 49 -10.031 -3.515 -27.060 1.00 55.21 C ATOM 721 CD1 TYR A 49 -10.181 -4.825 -26.621 1.00 42.30 C ATOM 722 CD2 TYR A 49 -8.947 -2.786 -26.589 1.00 45.12 C ATOM 723 CE1 TYR A 49 -9.278 -5.390 -25.741 1.00 72.43 C ATOM 724 CE2 TYR A 49 -8.038 -3.344 -25.711 1.00 13.14 C ATOM 725 CZ TYR A 49 -8.208 -4.646 -25.289 1.00 75.25 C ATOM 726 OH TYR A 49 -7.307 -5.205 -24.413 1.00 63.32 O ATOM 0 H TYR A 49 -12.101 -2.236 -25.251 1.00 31.02 H new ATOM 0 HA TYR A 49 -12.713 -1.573 -27.987 1.00 23.02 H new ATOM 0 HB2 TYR A 49 -11.332 -3.656 -28.744 1.00 64.14 H new ATOM 0 HB3 TYR A 49 -10.528 -2.107 -28.583 1.00 64.14 H new ATOM 0 HD1 TYR A 49 -11.017 -5.411 -26.973 1.00 42.30 H new ATOM 0 HD2 TYR A 49 -8.812 -1.765 -26.915 1.00 45.12 H new ATOM 0 HE1 TYR A 49 -9.409 -6.409 -25.409 1.00 72.43 H new ATOM 0 HE2 TYR A 49 -7.199 -2.764 -25.357 1.00 13.14 H new ATOM 0 HH TYR A 49 -6.613 -4.548 -24.194 1.00 63.32 H new ATOM 736 N GLU A 50 -14.370 -3.402 -27.878 1.00 20.34 N ATOM 737 CA GLU A 50 -15.424 -4.403 -27.755 1.00 44.14 C ATOM 738 C GLU A 50 -15.201 -5.550 -28.737 1.00 20.13 C ATOM 739 O GLU A 50 -15.980 -5.742 -29.671 1.00 64.10 O ATOM 740 CB GLU A 50 -16.793 -3.766 -28.000 1.00 72.24 C ATOM 741 CG GLU A 50 -17.953 -4.734 -27.834 1.00 42.14 C ATOM 742 CD GLU A 50 -18.672 -5.012 -29.140 1.00 60.11 C ATOM 743 OE1 GLU A 50 -19.168 -4.049 -29.762 1.00 21.43 O ATOM 744 OE2 GLU A 50 -18.738 -6.193 -29.540 1.00 72.41 O ATOM 0 H GLU A 50 -14.540 -2.696 -28.594 1.00 20.34 H new ATOM 0 HA GLU A 50 -15.394 -4.804 -26.742 1.00 44.14 H new ATOM 0 HB2 GLU A 50 -16.925 -2.932 -27.311 1.00 72.24 H new ATOM 0 HB3 GLU A 50 -16.817 -3.353 -29.008 1.00 72.24 H new ATOM 0 HG2 GLU A 50 -17.582 -5.672 -27.421 1.00 42.14 H new ATOM 0 HG3 GLU A 50 -18.662 -4.326 -27.113 1.00 42.14 H new ATOM 751 N TYR A 51 -14.133 -6.309 -28.518 1.00 0.11 N ATOM 752 CA TYR A 51 -13.805 -7.435 -29.384 1.00 32.32 C ATOM 753 C TYR A 51 -12.494 -8.087 -28.957 1.00 22.45 C ATOM 754 O TYR A 51 -11.939 -7.762 -27.906 1.00 52.35 O ATOM 755 CB TYR A 51 -13.708 -6.975 -30.839 1.00 74.34 C ATOM 756 CG TYR A 51 -14.725 -7.627 -31.749 1.00 64.44 C ATOM 757 CD1 TYR A 51 -14.927 -9.002 -31.726 1.00 44.22 C ATOM 758 CD2 TYR A 51 -15.484 -6.869 -32.632 1.00 3.41 C ATOM 759 CE1 TYR A 51 -15.853 -9.602 -32.556 1.00 54.34 C ATOM 760 CE2 TYR A 51 -16.414 -7.460 -33.465 1.00 0.12 C ATOM 761 CZ TYR A 51 -16.595 -8.827 -33.424 1.00 3.33 C ATOM 762 OH TYR A 51 -17.520 -9.420 -34.251 1.00 70.34 O ATOM 0 H TYR A 51 -13.480 -6.165 -27.748 1.00 0.11 H new ATOM 0 HA TYR A 51 -14.603 -8.173 -29.295 1.00 32.32 H new ATOM 0 HB2 TYR A 51 -13.838 -5.893 -30.879 1.00 74.34 H new ATOM 0 HB3 TYR A 51 -12.707 -7.190 -31.213 1.00 74.34 H new ATOM 0 HD1 TYR A 51 -14.349 -9.612 -31.047 1.00 44.22 H new ATOM 0 HD2 TYR A 51 -15.344 -5.799 -32.668 1.00 3.41 H new ATOM 0 HE1 TYR A 51 -15.996 -10.672 -32.526 1.00 54.34 H new ATOM 0 HE2 TYR A 51 -16.996 -6.855 -34.145 1.00 0.12 H new ATOM 0 HH TYR A 51 -17.957 -8.734 -34.798 1.00 70.34 H new ATOM 772 N ILE A 52 -12.004 -9.009 -29.778 1.00 60.44 N ATOM 773 CA ILE A 52 -10.757 -9.706 -29.488 1.00 33.55 C ATOM 774 C ILE A 52 -9.598 -8.725 -29.351 1.00 21.54 C ATOM 775 O ILE A 52 -9.734 -7.542 -29.656 1.00 51.41 O ATOM 776 CB ILE A 52 -10.418 -10.735 -30.583 1.00 14.30 C ATOM 777 CG1 ILE A 52 -10.563 -10.102 -31.969 1.00 32.42 C ATOM 778 CG2 ILE A 52 -11.314 -11.958 -30.457 1.00 13.23 C ATOM 779 CD1 ILE A 52 -10.017 -10.964 -33.086 1.00 0.31 C ATOM 0 H ILE A 52 -12.452 -9.291 -30.650 1.00 60.44 H new ATOM 0 HA ILE A 52 -10.901 -10.229 -28.543 1.00 33.55 H new ATOM 0 HB ILE A 52 -9.383 -11.053 -30.455 1.00 14.30 H new ATOM 0 HG12 ILE A 52 -11.617 -9.900 -32.159 1.00 32.42 H new ATOM 0 HG13 ILE A 52 -10.048 -9.142 -31.977 1.00 32.42 H new ATOM 0 HG21 ILE A 52 -11.062 -12.676 -31.238 1.00 13.23 H new ATOM 0 HG22 ILE A 52 -11.166 -12.418 -29.480 1.00 13.23 H new ATOM 0 HG23 ILE A 52 -12.356 -11.658 -30.563 1.00 13.23 H new ATOM 0 HD11 ILE A 52 -10.153 -10.453 -34.039 1.00 0.31 H new ATOM 0 HD12 ILE A 52 -8.955 -11.145 -32.920 1.00 0.31 H new ATOM 0 HD13 ILE A 52 -10.549 -11.915 -33.105 1.00 0.31 H new ATOM 791 N ASN A 53 -8.456 -9.227 -28.891 1.00 34.42 N ATOM 792 CA ASN A 53 -7.272 -8.395 -28.715 1.00 23.45 C ATOM 793 C ASN A 53 -6.690 -7.985 -30.064 1.00 1.42 C ATOM 794 O ASN A 53 -6.158 -6.884 -30.213 1.00 63.30 O ATOM 795 CB ASN A 53 -6.216 -9.142 -27.897 1.00 64.02 C ATOM 796 CG ASN A 53 -4.933 -8.347 -27.745 1.00 52.24 C ATOM 797 OD1 ASN A 53 -4.169 -8.193 -28.698 1.00 23.00 O ATOM 798 ND2 ASN A 53 -4.692 -7.837 -26.543 1.00 71.11 N ATOM 0 H ASN A 53 -8.326 -10.205 -28.634 1.00 34.42 H new ATOM 0 HA ASN A 53 -7.568 -7.494 -28.178 1.00 23.45 H new ATOM 0 HB2 ASN A 53 -6.619 -9.369 -26.910 1.00 64.02 H new ATOM 0 HB3 ASN A 53 -5.995 -10.095 -28.378 1.00 64.02 H new ATOM 0 HD21 ASN A 53 -3.845 -7.292 -26.381 1.00 71.11 H new ATOM 0 HD22 ASN A 53 -5.354 -7.990 -25.782 1.00 71.11 H new ATOM 805 N TYR A 54 -6.796 -8.876 -31.043 1.00 44.52 N ATOM 806 CA TYR A 54 -6.279 -8.607 -32.380 1.00 4.01 C ATOM 807 C TYR A 54 -7.401 -8.631 -33.413 1.00 41.20 C ATOM 808 O TYR A 54 -7.345 -9.376 -34.390 1.00 43.35 O ATOM 809 CB TYR A 54 -5.207 -9.634 -32.751 1.00 0.52 C ATOM 810 CG TYR A 54 -5.462 -11.009 -32.178 1.00 75.42 C ATOM 811 CD1 TYR A 54 -6.666 -11.665 -32.405 1.00 73.14 C ATOM 812 CD2 TYR A 54 -4.501 -11.653 -31.409 1.00 61.24 C ATOM 813 CE1 TYR A 54 -6.905 -12.922 -31.884 1.00 3.03 C ATOM 814 CE2 TYR A 54 -4.730 -12.911 -30.885 1.00 41.41 C ATOM 815 CZ TYR A 54 -5.933 -13.541 -31.125 1.00 13.32 C ATOM 816 OH TYR A 54 -6.166 -14.793 -30.603 1.00 42.40 O ATOM 0 H TYR A 54 -7.235 -9.791 -30.936 1.00 44.52 H new ATOM 0 HA TYR A 54 -5.834 -7.612 -32.377 1.00 4.01 H new ATOM 0 HB2 TYR A 54 -5.147 -9.708 -33.837 1.00 0.52 H new ATOM 0 HB3 TYR A 54 -4.238 -9.278 -32.401 1.00 0.52 H new ATOM 0 HD1 TYR A 54 -7.428 -11.184 -32.999 1.00 73.14 H new ATOM 0 HD2 TYR A 54 -3.558 -11.162 -31.217 1.00 61.24 H new ATOM 0 HE1 TYR A 54 -7.847 -13.417 -32.070 1.00 3.03 H new ATOM 0 HE2 TYR A 54 -3.971 -13.398 -30.291 1.00 41.41 H new ATOM 0 HH TYR A 54 -5.381 -15.087 -30.095 1.00 42.40 H new ATOM 826 N GLY A 55 -8.421 -7.808 -33.188 1.00 71.13 N ATOM 827 CA GLY A 55 -9.543 -7.749 -34.107 1.00 44.14 C ATOM 828 C GLY A 55 -10.765 -7.100 -33.489 1.00 71.02 C ATOM 829 O GLY A 55 -11.800 -7.744 -33.321 1.00 51.41 O ATOM 0 H GLY A 55 -8.490 -7.181 -32.386 1.00 71.13 H new ATOM 0 HA2 GLY A 55 -9.251 -7.192 -34.997 1.00 44.14 H new ATOM 0 HA3 GLY A 55 -9.796 -8.758 -34.431 1.00 44.14 H new ATOM 833 N GLY A 56 -10.646 -5.820 -33.148 1.00 25.53 N ATOM 834 CA GLY A 56 -11.757 -5.106 -32.546 1.00 65.25 C ATOM 835 C GLY A 56 -11.609 -3.602 -32.661 1.00 41.04 C ATOM 836 O GLY A 56 -10.620 -3.108 -33.203 1.00 63.20 O ATOM 0 H GLY A 56 -9.800 -5.265 -33.278 1.00 25.53 H new ATOM 0 HA2 GLY A 56 -12.686 -5.414 -33.026 1.00 65.25 H new ATOM 0 HA3 GLY A 56 -11.835 -5.381 -31.494 1.00 65.25 H new ATOM 840 N ARG A 57 -12.596 -2.872 -32.152 1.00 44.43 N ATOM 841 CA ARG A 57 -12.572 -1.415 -32.203 1.00 54.31 C ATOM 842 C ARG A 57 -11.669 -0.847 -31.112 1.00 61.03 C ATOM 843 O ARG A 57 -12.039 -0.817 -29.938 1.00 73.15 O ATOM 844 CB ARG A 57 -13.988 -0.855 -32.050 1.00 61.21 C ATOM 845 CG ARG A 57 -14.030 0.653 -31.863 1.00 60.42 C ATOM 846 CD ARG A 57 -14.511 1.028 -30.470 1.00 52.14 C ATOM 847 NE ARG A 57 -15.769 1.770 -30.507 1.00 61.43 N ATOM 848 CZ ARG A 57 -16.959 1.193 -30.633 1.00 62.30 C ATOM 849 NH1 ARG A 57 -17.053 -0.126 -30.733 1.00 25.10 N ATOM 850 NH2 ARG A 57 -18.058 1.935 -30.658 1.00 51.25 N ATOM 0 H ARG A 57 -13.422 -3.265 -31.700 1.00 44.43 H new ATOM 0 HA ARG A 57 -12.173 -1.117 -33.173 1.00 54.31 H new ATOM 0 HB2 ARG A 57 -14.571 -1.120 -32.932 1.00 61.21 H new ATOM 0 HB3 ARG A 57 -14.468 -1.332 -31.195 1.00 61.21 H new ATOM 0 HG2 ARG A 57 -13.037 1.069 -32.031 1.00 60.42 H new ATOM 0 HG3 ARG A 57 -14.691 1.095 -32.609 1.00 60.42 H new ATOM 0 HD2 ARG A 57 -14.641 0.124 -29.876 1.00 52.14 H new ATOM 0 HD3 ARG A 57 -13.750 1.629 -29.973 1.00 52.14 H new ATOM 0 HE ARG A 57 -15.732 2.787 -30.432 1.00 61.43 H new ATOM 0 HH11 ARG A 57 -16.210 -0.700 -30.713 1.00 25.10 H new ATOM 0 HH12 ARG A 57 -17.968 -0.566 -30.830 1.00 25.10 H new ATOM 0 HH21 ARG A 57 -17.990 2.950 -30.580 1.00 51.25 H new ATOM 0 HH22 ARG A 57 -18.971 1.491 -30.755 1.00 51.25 H new ATOM 864 N TYR A 58 -10.483 -0.399 -31.508 1.00 42.50 N ATOM 865 CA TYR A 58 -9.525 0.165 -30.564 1.00 52.42 C ATOM 866 C TYR A 58 -9.895 1.601 -30.206 1.00 2.55 C ATOM 867 O TYR A 58 -10.095 2.440 -31.084 1.00 3.41 O ATOM 868 CB TYR A 58 -8.113 0.122 -31.151 1.00 31.34 C ATOM 869 CG TYR A 58 -7.114 0.963 -30.388 1.00 75.30 C ATOM 870 CD1 TYR A 58 -7.091 0.960 -28.999 1.00 21.21 C ATOM 871 CD2 TYR A 58 -6.194 1.760 -31.057 1.00 64.31 C ATOM 872 CE1 TYR A 58 -6.181 1.727 -28.298 1.00 43.24 C ATOM 873 CE2 TYR A 58 -5.279 2.529 -30.365 1.00 2.32 C ATOM 874 CZ TYR A 58 -5.277 2.510 -28.986 1.00 3.14 C ATOM 875 OH TYR A 58 -4.367 3.275 -28.291 1.00 74.14 O ATOM 0 H TYR A 58 -10.162 -0.415 -32.476 1.00 42.50 H new ATOM 0 HA TYR A 58 -9.552 -0.436 -29.655 1.00 52.42 H new ATOM 0 HB2 TYR A 58 -7.767 -0.912 -31.168 1.00 31.34 H new ATOM 0 HB3 TYR A 58 -8.148 0.464 -32.185 1.00 31.34 H new ATOM 0 HD1 TYR A 58 -7.797 0.347 -28.458 1.00 21.21 H new ATOM 0 HD2 TYR A 58 -6.194 1.779 -32.137 1.00 64.31 H new ATOM 0 HE1 TYR A 58 -6.177 1.714 -27.218 1.00 43.24 H new ATOM 0 HE2 TYR A 58 -4.569 3.142 -30.901 1.00 2.32 H new ATOM 0 HH TYR A 58 -3.802 3.767 -28.923 1.00 74.14 H new ATOM 885 N TRP A 59 -9.983 1.876 -28.909 1.00 40.22 N ATOM 886 CA TRP A 59 -10.328 3.211 -28.433 1.00 21.12 C ATOM 887 C TRP A 59 -9.770 3.451 -27.034 1.00 62.33 C ATOM 888 O TRP A 59 -10.304 2.944 -26.048 1.00 24.54 O ATOM 889 CB TRP A 59 -11.846 3.397 -28.428 1.00 71.33 C ATOM 890 CG TRP A 59 -12.319 4.395 -27.416 1.00 13.14 C ATOM 891 CD1 TRP A 59 -11.947 5.706 -27.321 1.00 23.45 C ATOM 892 CD2 TRP A 59 -13.251 4.163 -26.354 1.00 33.11 C ATOM 893 NE1 TRP A 59 -12.591 6.302 -26.263 1.00 60.05 N ATOM 894 CE2 TRP A 59 -13.398 5.377 -25.655 1.00 4.21 C ATOM 895 CE3 TRP A 59 -13.978 3.048 -25.927 1.00 11.32 C ATOM 896 CZ2 TRP A 59 -14.240 5.505 -24.553 1.00 65.24 C ATOM 897 CZ3 TRP A 59 -14.813 3.177 -24.833 1.00 60.42 C ATOM 898 CH2 TRP A 59 -14.939 4.397 -24.157 1.00 41.40 C ATOM 0 H TRP A 59 -9.820 1.193 -28.169 1.00 40.22 H new ATOM 0 HA TRP A 59 -9.882 3.938 -29.112 1.00 21.12 H new ATOM 0 HB2 TRP A 59 -12.169 3.715 -29.419 1.00 71.33 H new ATOM 0 HB3 TRP A 59 -12.322 2.436 -28.230 1.00 71.33 H new ATOM 0 HD1 TRP A 59 -11.250 6.201 -27.980 1.00 23.45 H new ATOM 0 HE1 TRP A 59 -12.485 7.275 -25.977 1.00 60.05 H new ATOM 0 HE3 TRP A 59 -13.889 2.103 -26.442 1.00 11.32 H new ATOM 0 HZ2 TRP A 59 -14.338 6.445 -24.030 1.00 65.24 H new ATOM 0 HZ3 TRP A 59 -15.378 2.322 -24.494 1.00 60.42 H new ATOM 0 HH2 TRP A 59 -15.601 4.465 -23.306 1.00 41.40 H new ATOM 909 N ASP A 60 -8.694 4.226 -26.956 1.00 51.24 N ATOM 910 CA ASP A 60 -8.065 4.534 -25.677 1.00 44.25 C ATOM 911 C ASP A 60 -8.415 5.948 -25.226 1.00 14.43 C ATOM 912 O ASP A 60 -8.819 6.787 -26.032 1.00 53.13 O ATOM 913 CB ASP A 60 -6.546 4.381 -25.782 1.00 34.30 C ATOM 914 CG ASP A 60 -5.950 5.250 -26.872 1.00 33.23 C ATOM 915 OD1 ASP A 60 -6.311 5.053 -28.051 1.00 11.12 O ATOM 916 OD2 ASP A 60 -5.122 6.126 -26.546 1.00 13.33 O ATOM 0 H ASP A 60 -8.239 4.652 -27.763 1.00 51.24 H new ATOM 0 HA ASP A 60 -8.444 3.831 -24.935 1.00 44.25 H new ATOM 0 HB2 ASP A 60 -6.091 4.640 -24.826 1.00 34.30 H new ATOM 0 HB3 ASP A 60 -6.302 3.337 -25.979 1.00 34.30 H new ATOM 921 N LEU A 61 -8.260 6.206 -23.932 1.00 2.21 N ATOM 922 CA LEU A 61 -8.561 7.519 -23.372 1.00 11.13 C ATOM 923 C LEU A 61 -7.761 7.764 -22.096 1.00 62.44 C ATOM 924 O LEU A 61 -7.276 6.825 -21.466 1.00 12.02 O ATOM 925 CB LEU A 61 -10.058 7.639 -23.079 1.00 43.32 C ATOM 926 CG LEU A 61 -10.577 6.829 -21.891 1.00 24.11 C ATOM 927 CD1 LEU A 61 -11.404 7.708 -20.966 1.00 74.31 C ATOM 928 CD2 LEU A 61 -11.394 5.640 -22.373 1.00 35.41 C ATOM 0 H LEU A 61 -7.928 5.523 -23.251 1.00 2.21 H new ATOM 0 HA LEU A 61 -8.278 8.273 -24.107 1.00 11.13 H new ATOM 0 HB2 LEU A 61 -10.291 8.690 -22.906 1.00 43.32 H new ATOM 0 HB3 LEU A 61 -10.608 7.333 -23.969 1.00 43.32 H new ATOM 0 HG LEU A 61 -9.721 6.453 -21.330 1.00 24.11 H new ATOM 0 HD11 LEU A 61 -11.765 7.114 -20.126 1.00 74.31 H new ATOM 0 HD12 LEU A 61 -10.787 8.526 -20.594 1.00 74.31 H new ATOM 0 HD13 LEU A 61 -12.254 8.115 -21.514 1.00 74.31 H new ATOM 0 HD21 LEU A 61 -11.755 5.075 -21.514 1.00 35.41 H new ATOM 0 HD22 LEU A 61 -12.243 5.995 -22.957 1.00 35.41 H new ATOM 0 HD23 LEU A 61 -10.770 4.997 -22.994 1.00 35.41 H new ATOM 940 N GLY A 62 -7.628 9.032 -21.721 1.00 51.30 N ATOM 941 CA GLY A 62 -6.888 9.377 -20.521 1.00 42.55 C ATOM 942 C GLY A 62 -7.724 9.241 -19.265 1.00 31.34 C ATOM 943 O GLY A 62 -8.786 8.618 -19.265 1.00 12.13 O ATOM 0 H GLY A 62 -8.019 9.827 -22.227 1.00 51.30 H new ATOM 0 HA2 GLY A 62 -6.011 8.734 -20.441 1.00 42.55 H new ATOM 0 HA3 GLY A 62 -6.526 10.402 -20.603 1.00 42.55 H new ATOM 947 N PRO A 63 -7.242 9.832 -18.161 1.00 60.32 N ATOM 948 CA PRO A 63 -7.936 9.786 -16.871 1.00 73.20 C ATOM 949 C PRO A 63 -9.149 10.710 -16.832 1.00 4.01 C ATOM 950 O PRO A 63 -9.016 11.915 -16.625 1.00 41.52 O ATOM 951 CB PRO A 63 -6.871 10.258 -15.878 1.00 55.31 C ATOM 952 CG PRO A 63 -5.955 11.113 -16.684 1.00 12.33 C ATOM 953 CD PRO A 63 -5.982 10.591 -18.088 1.00 71.53 C ATOM 0 HA PRO A 63 -8.329 8.793 -16.655 1.00 73.20 H new ATOM 0 HB2 PRO A 63 -7.316 10.819 -15.057 1.00 55.31 H new ATOM 0 HB3 PRO A 63 -6.340 9.415 -15.437 1.00 55.31 H new ATOM 0 HG2 PRO A 63 -6.276 12.154 -16.655 1.00 12.33 H new ATOM 0 HG3 PRO A 63 -4.943 11.079 -16.281 1.00 12.33 H new ATOM 0 HD2 PRO A 63 -5.962 11.402 -18.816 1.00 71.53 H new ATOM 0 HD3 PRO A 63 -5.121 9.956 -18.294 1.00 71.53 H new ATOM 961 N GLY A 64 -10.331 10.136 -17.032 1.00 14.33 N ATOM 962 CA GLY A 64 -11.550 10.924 -17.015 1.00 32.21 C ATOM 963 C GLY A 64 -12.796 10.063 -16.938 1.00 4.25 C ATOM 964 O GLY A 64 -12.754 8.872 -17.244 1.00 10.14 O ATOM 0 H GLY A 64 -10.467 9.140 -17.205 1.00 14.33 H new ATOM 0 HA2 GLY A 64 -11.528 11.603 -16.163 1.00 32.21 H new ATOM 0 HA3 GLY A 64 -11.593 11.541 -17.913 1.00 32.21 H new ATOM 968 N GLU A 65 -13.906 10.667 -16.526 1.00 1.24 N ATOM 969 CA GLU A 65 -15.168 9.946 -16.407 1.00 2.23 C ATOM 970 C GLU A 65 -16.105 10.295 -17.560 1.00 5.23 C ATOM 971 O GLU A 65 -16.098 11.420 -18.060 1.00 55.20 O ATOM 972 CB GLU A 65 -15.842 10.270 -15.072 1.00 22.23 C ATOM 973 CG GLU A 65 -17.259 9.734 -14.960 1.00 13.21 C ATOM 974 CD GLU A 65 -18.304 10.763 -15.347 1.00 61.25 C ATOM 975 OE1 GLU A 65 -18.307 11.859 -14.749 1.00 3.10 O ATOM 976 OE2 GLU A 65 -19.118 10.472 -16.248 1.00 52.13 O ATOM 0 H GLU A 65 -13.957 11.653 -16.269 1.00 1.24 H new ATOM 0 HA GLU A 65 -14.952 8.878 -16.447 1.00 2.23 H new ATOM 0 HB2 GLU A 65 -15.241 9.857 -14.262 1.00 22.23 H new ATOM 0 HB3 GLU A 65 -15.860 11.351 -14.937 1.00 22.23 H new ATOM 0 HG2 GLU A 65 -17.363 8.857 -15.599 1.00 13.21 H new ATOM 0 HG3 GLU A 65 -17.439 9.406 -13.936 1.00 13.21 H new ATOM 983 N TYR A 66 -16.908 9.323 -17.976 1.00 63.34 N ATOM 984 CA TYR A 66 -17.848 9.525 -19.072 1.00 71.01 C ATOM 985 C TYR A 66 -18.976 8.499 -19.019 1.00 23.42 C ATOM 986 O TYR A 66 -18.848 7.452 -18.383 1.00 52.23 O ATOM 987 CB TYR A 66 -17.124 9.434 -20.417 1.00 13.54 C ATOM 988 CG TYR A 66 -17.328 8.115 -21.126 1.00 62.03 C ATOM 989 CD1 TYR A 66 -16.591 6.992 -20.771 1.00 71.24 C ATOM 990 CD2 TYR A 66 -18.258 7.991 -22.151 1.00 42.43 C ATOM 991 CE1 TYR A 66 -16.773 5.785 -21.418 1.00 33.43 C ATOM 992 CE2 TYR A 66 -18.448 6.788 -22.802 1.00 62.21 C ATOM 993 CZ TYR A 66 -17.703 5.687 -22.432 1.00 41.51 C ATOM 994 OH TYR A 66 -17.888 4.486 -23.077 1.00 53.34 O ATOM 0 H TYR A 66 -16.927 8.387 -17.571 1.00 63.34 H new ATOM 0 HA TYR A 66 -18.281 10.520 -18.966 1.00 71.01 H new ATOM 0 HB2 TYR A 66 -17.471 10.241 -21.062 1.00 13.54 H new ATOM 0 HB3 TYR A 66 -16.057 9.590 -20.257 1.00 13.54 H new ATOM 0 HD1 TYR A 66 -15.864 7.064 -19.976 1.00 71.24 H new ATOM 0 HD2 TYR A 66 -18.843 8.851 -22.444 1.00 42.43 H new ATOM 0 HE1 TYR A 66 -16.190 4.922 -21.131 1.00 33.43 H new ATOM 0 HE2 TYR A 66 -19.176 6.709 -23.596 1.00 62.21 H new ATOM 0 HH TYR A 66 -18.579 4.587 -23.764 1.00 53.34 H new ATOM 1004 N SER A 67 -20.080 8.807 -19.692 1.00 23.41 N ATOM 1005 CA SER A 67 -21.232 7.914 -19.720 1.00 31.43 C ATOM 1006 C SER A 67 -22.085 8.166 -20.960 1.00 22.44 C ATOM 1007 O SER A 67 -23.085 8.881 -20.904 1.00 31.23 O ATOM 1008 CB SER A 67 -22.078 8.099 -18.459 1.00 12.13 C ATOM 1009 OG SER A 67 -22.471 9.452 -18.302 1.00 65.21 O ATOM 0 H SER A 67 -20.201 9.668 -20.225 1.00 23.41 H new ATOM 0 HA SER A 67 -20.865 6.888 -19.755 1.00 31.43 H new ATOM 0 HB2 SER A 67 -22.962 7.464 -18.514 1.00 12.13 H new ATOM 0 HB3 SER A 67 -21.510 7.778 -17.586 1.00 12.13 H new ATOM 0 HG SER A 67 -22.939 9.753 -19.109 1.00 65.21 H new ATOM 1015 N SER A 68 -21.681 7.572 -22.078 1.00 41.44 N ATOM 1016 CA SER A 68 -22.405 7.735 -23.334 1.00 24.21 C ATOM 1017 C SER A 68 -23.572 6.756 -23.419 1.00 23.23 C ATOM 1018 O SER A 68 -23.838 6.006 -22.479 1.00 64.12 O ATOM 1019 CB SER A 68 -21.462 7.526 -24.521 1.00 11.41 C ATOM 1020 OG SER A 68 -20.402 8.467 -24.502 1.00 34.01 O ATOM 0 H SER A 68 -20.857 6.974 -22.140 1.00 41.44 H new ATOM 0 HA SER A 68 -22.801 8.750 -23.368 1.00 24.21 H new ATOM 0 HB2 SER A 68 -21.056 6.515 -24.493 1.00 11.41 H new ATOM 0 HB3 SER A 68 -22.019 7.620 -25.453 1.00 11.41 H new ATOM 0 HG SER A 68 -19.760 8.223 -23.803 1.00 34.01 H new ATOM 1026 N VAL A 69 -24.266 6.769 -24.552 1.00 42.03 N ATOM 1027 CA VAL A 69 -25.404 5.883 -24.762 1.00 72.50 C ATOM 1028 C VAL A 69 -25.808 5.845 -26.232 1.00 12.24 C ATOM 1029 O VAL A 69 -26.968 5.599 -26.560 1.00 12.21 O ATOM 1030 CB VAL A 69 -26.617 6.317 -23.918 1.00 52.43 C ATOM 1031 CG1 VAL A 69 -27.238 7.584 -24.488 1.00 63.11 C ATOM 1032 CG2 VAL A 69 -27.644 5.197 -23.845 1.00 42.30 C ATOM 0 H VAL A 69 -24.060 7.384 -25.339 1.00 42.03 H new ATOM 0 HA VAL A 69 -25.091 4.887 -24.449 1.00 72.50 H new ATOM 0 HB VAL A 69 -26.275 6.532 -22.906 1.00 52.43 H new ATOM 0 HG11 VAL A 69 -28.094 7.876 -23.879 1.00 63.11 H new ATOM 0 HG12 VAL A 69 -26.499 8.385 -24.483 1.00 63.11 H new ATOM 0 HG13 VAL A 69 -27.567 7.400 -25.511 1.00 63.11 H new ATOM 0 HG21 VAL A 69 -28.494 5.521 -23.245 1.00 42.30 H new ATOM 0 HG22 VAL A 69 -27.984 4.949 -24.851 1.00 42.30 H new ATOM 0 HG23 VAL A 69 -27.191 4.317 -23.387 1.00 42.30 H new ATOM 1042 N GLU A 70 -24.843 6.091 -27.112 1.00 24.34 N ATOM 1043 CA GLU A 70 -25.099 6.085 -28.547 1.00 42.41 C ATOM 1044 C GLU A 70 -23.851 6.496 -29.324 1.00 12.00 C ATOM 1045 O GLU A 70 -23.669 6.107 -30.477 1.00 60.34 O ATOM 1046 CB GLU A 70 -26.256 7.028 -28.885 1.00 32.54 C ATOM 1047 CG GLU A 70 -26.199 8.352 -28.143 1.00 44.40 C ATOM 1048 CD GLU A 70 -27.039 9.428 -28.804 1.00 32.24 C ATOM 1049 OE1 GLU A 70 -28.282 9.304 -28.787 1.00 44.12 O ATOM 1050 OE2 GLU A 70 -26.454 10.394 -29.337 1.00 23.51 O ATOM 0 H GLU A 70 -23.877 6.297 -26.856 1.00 24.34 H new ATOM 0 HA GLU A 70 -25.370 5.070 -28.838 1.00 42.41 H new ATOM 0 HB2 GLU A 70 -26.254 7.222 -29.958 1.00 32.54 H new ATOM 0 HB3 GLU A 70 -27.198 6.531 -28.653 1.00 32.54 H new ATOM 0 HG2 GLU A 70 -26.543 8.206 -27.119 1.00 44.40 H new ATOM 0 HG3 GLU A 70 -25.164 8.688 -28.086 1.00 44.40 H new ATOM 1057 N SER A 71 -22.995 7.286 -28.683 1.00 73.31 N ATOM 1058 CA SER A 71 -21.767 7.753 -29.314 1.00 41.44 C ATOM 1059 C SER A 71 -20.619 6.783 -29.055 1.00 30.51 C ATOM 1060 O SER A 71 -19.448 7.140 -29.184 1.00 34.32 O ATOM 1061 CB SER A 71 -21.400 9.145 -28.796 1.00 1.23 C ATOM 1062 OG SER A 71 -20.489 9.062 -27.713 1.00 51.23 O ATOM 0 H SER A 71 -23.130 7.616 -27.727 1.00 73.31 H new ATOM 0 HA SER A 71 -21.938 7.806 -30.389 1.00 41.44 H new ATOM 0 HB2 SER A 71 -20.959 9.732 -29.602 1.00 1.23 H new ATOM 0 HB3 SER A 71 -22.302 9.668 -28.477 1.00 1.23 H new ATOM 0 HG SER A 71 -19.643 8.679 -28.026 1.00 51.23 H new ATOM 1068 N ALA A 72 -20.964 5.553 -28.688 1.00 71.43 N ATOM 1069 CA ALA A 72 -19.964 4.529 -28.412 1.00 60.24 C ATOM 1070 C ALA A 72 -20.379 3.183 -28.998 1.00 15.52 C ATOM 1071 O ALA A 72 -19.901 2.134 -28.569 1.00 15.45 O ATOM 1072 CB ALA A 72 -19.734 4.406 -26.913 1.00 72.13 C ATOM 0 H ALA A 72 -21.929 5.242 -28.575 1.00 71.43 H new ATOM 0 HA ALA A 72 -19.031 4.830 -28.888 1.00 60.24 H new ATOM 0 HB1 ALA A 72 -18.985 3.638 -26.722 1.00 72.13 H new ATOM 0 HB2 ALA A 72 -19.384 5.360 -26.519 1.00 72.13 H new ATOM 0 HB3 ALA A 72 -20.668 4.132 -26.423 1.00 72.13 H new ATOM 1078 N GLY A 73 -21.274 3.222 -29.981 1.00 61.21 N ATOM 1079 CA GLY A 73 -21.739 1.999 -30.609 1.00 32.24 C ATOM 1080 C GLY A 73 -22.514 1.115 -29.652 1.00 20.43 C ATOM 1081 O GLY A 73 -22.210 1.064 -28.459 1.00 72.45 O ATOM 0 H GLY A 73 -21.685 4.078 -30.353 1.00 61.21 H new ATOM 0 HA2 GLY A 73 -22.371 2.249 -31.461 1.00 32.24 H new ATOM 0 HA3 GLY A 73 -20.884 1.446 -30.998 1.00 32.24 H new ATOM 1085 N ILE A 74 -23.518 0.418 -30.174 1.00 1.04 N ATOM 1086 CA ILE A 74 -24.338 -0.468 -29.357 1.00 14.53 C ATOM 1087 C ILE A 74 -24.678 -1.750 -30.108 1.00 33.31 C ATOM 1088 O ILE A 74 -25.840 -2.042 -30.394 1.00 64.25 O ATOM 1089 CB ILE A 74 -25.645 0.220 -28.920 1.00 35.12 C ATOM 1090 CG1 ILE A 74 -25.348 1.597 -28.323 1.00 32.15 C ATOM 1091 CG2 ILE A 74 -26.391 -0.648 -27.918 1.00 32.44 C ATOM 1092 CD1 ILE A 74 -26.589 2.355 -27.906 1.00 3.33 C ATOM 0 H ILE A 74 -23.783 0.450 -31.158 1.00 1.04 H new ATOM 0 HA ILE A 74 -23.752 -0.714 -28.471 1.00 14.53 H new ATOM 0 HB ILE A 74 -26.278 0.354 -29.797 1.00 35.12 H new ATOM 0 HG12 ILE A 74 -24.698 1.476 -27.457 1.00 32.15 H new ATOM 0 HG13 ILE A 74 -24.798 2.190 -29.054 1.00 32.15 H new ATOM 0 HG21 ILE A 74 -27.312 -0.148 -27.619 1.00 32.44 H new ATOM 0 HG22 ILE A 74 -26.631 -1.608 -28.376 1.00 32.44 H new ATOM 0 HG23 ILE A 74 -25.765 -0.811 -27.041 1.00 32.44 H new ATOM 0 HD11 ILE A 74 -26.303 3.322 -27.492 1.00 3.33 H new ATOM 0 HD12 ILE A 74 -27.231 2.508 -28.774 1.00 3.33 H new ATOM 0 HD13 ILE A 74 -27.129 1.782 -27.152 1.00 3.33 H new ATOM 1104 N PRO A 75 -23.642 -2.537 -30.434 1.00 32.31 N ATOM 1105 CA PRO A 75 -23.806 -3.804 -31.154 1.00 1.31 C ATOM 1106 C PRO A 75 -24.030 -4.981 -30.212 1.00 34.42 C ATOM 1107 O PRO A 75 -25.064 -5.647 -30.270 1.00 74.14 O ATOM 1108 CB PRO A 75 -22.479 -3.961 -31.900 1.00 62.43 C ATOM 1109 CG PRO A 75 -21.846 -2.614 -31.837 1.00 72.11 C ATOM 1110 CD PRO A 75 -22.231 -2.252 -30.124 1.00 52.21 C ATOM 0 HA PRO A 75 -24.679 -3.793 -31.806 1.00 1.31 H new ATOM 0 HB2 PRO A 75 -21.849 -4.717 -31.431 1.00 62.43 H new ATOM 0 HB3 PRO A 75 -22.640 -4.275 -32.931 1.00 62.43 H new ATOM 0 HG2 PRO A 75 -20.775 -2.635 -32.039 1.00 72.11 H new ATOM 0 HG3 PRO A 75 -22.287 -1.902 -32.534 1.00 72.11 H new ATOM 0 HD2 PRO A 75 -21.771 -2.916 -29.392 1.00 52.21 H new ATOM 0 HD3 PRO A 75 -22.021 -1.231 -29.804 1.00 52.21 H new ATOM 1118 N ASP A 76 -23.057 -5.233 -29.344 1.00 45.21 N ATOM 1119 CA ASP A 76 -23.149 -6.330 -28.388 1.00 2.12 C ATOM 1120 C ASP A 76 -21.924 -6.363 -27.479 1.00 62.43 C ATOM 1121 O ASP A 76 -20.788 -6.380 -27.952 1.00 74.54 O ATOM 1122 CB ASP A 76 -23.291 -7.664 -29.122 1.00 72.10 C ATOM 1123 CG ASP A 76 -24.323 -8.571 -28.481 1.00 14.44 C ATOM 1124 OD1 ASP A 76 -24.279 -8.737 -27.244 1.00 33.30 O ATOM 1125 OD2 ASP A 76 -25.175 -9.114 -29.215 1.00 63.14 O ATOM 0 H ASP A 76 -22.195 -4.692 -29.283 1.00 45.21 H new ATOM 0 HA ASP A 76 -24.033 -6.168 -27.771 1.00 2.12 H new ATOM 0 HB2 ASP A 76 -23.570 -7.477 -30.159 1.00 72.10 H new ATOM 0 HB3 ASP A 76 -22.326 -8.171 -29.138 1.00 72.10 H new ATOM 1130 N ASN A 77 -22.163 -6.371 -26.172 1.00 31.51 N ATOM 1131 CA ASN A 77 -21.079 -6.401 -25.197 1.00 31.03 C ATOM 1132 C ASN A 77 -20.476 -7.799 -25.096 1.00 10.21 C ATOM 1133 O ASN A 77 -20.494 -8.419 -24.033 1.00 12.34 O ATOM 1134 CB ASN A 77 -21.587 -5.952 -23.825 1.00 21.31 C ATOM 1135 CG ASN A 77 -20.518 -5.243 -23.016 1.00 62.13 C ATOM 1136 OD1 ASN A 77 -20.516 -4.017 -22.909 1.00 13.30 O ATOM 1137 ND2 ASN A 77 -19.601 -6.014 -22.443 1.00 31.02 N ATOM 0 H ASN A 77 -23.098 -6.357 -25.763 1.00 31.51 H new ATOM 0 HA ASN A 77 -20.303 -5.714 -25.533 1.00 31.03 H new ATOM 0 HB2 ASN A 77 -22.440 -5.287 -23.957 1.00 21.31 H new ATOM 0 HB3 ASN A 77 -21.942 -6.820 -23.270 1.00 21.31 H new ATOM 0 HD21 ASN A 77 -18.856 -5.594 -21.887 1.00 31.02 H new ATOM 0 HD22 ASN A 77 -19.642 -7.027 -22.559 1.00 31.02 H new ATOM 1144 N SER A 78 -19.942 -8.289 -26.210 1.00 43.31 N ATOM 1145 CA SER A 78 -19.336 -9.614 -26.249 1.00 23.45 C ATOM 1146 C SER A 78 -17.854 -9.525 -26.603 1.00 15.41 C ATOM 1147 O SER A 78 -17.438 -8.644 -27.356 1.00 62.11 O ATOM 1148 CB SER A 78 -20.061 -10.501 -27.262 1.00 55.15 C ATOM 1149 OG SER A 78 -19.450 -11.776 -27.355 1.00 42.22 O ATOM 0 H SER A 78 -19.917 -7.788 -27.098 1.00 43.31 H new ATOM 0 HA SER A 78 -19.429 -10.057 -25.257 1.00 23.45 H new ATOM 0 HB2 SER A 78 -21.104 -10.615 -26.968 1.00 55.15 H new ATOM 0 HB3 SER A 78 -20.056 -10.020 -28.240 1.00 55.15 H new ATOM 0 HG SER A 78 -19.934 -12.324 -28.008 1.00 42.22 H new ATOM 1155 N ILE A 79 -17.065 -10.442 -26.054 1.00 42.42 N ATOM 1156 CA ILE A 79 -15.631 -10.467 -26.313 1.00 25.24 C ATOM 1157 C ILE A 79 -15.003 -9.100 -26.065 1.00 2.30 C ATOM 1158 O ILE A 79 -14.013 -8.736 -26.699 1.00 44.21 O ATOM 1159 CB ILE A 79 -15.327 -10.905 -27.758 1.00 4.04 C ATOM 1160 CG1 ILE A 79 -16.266 -12.037 -28.179 1.00 52.41 C ATOM 1161 CG2 ILE A 79 -13.874 -11.340 -27.885 1.00 12.02 C ATOM 1162 CD1 ILE A 79 -16.013 -12.541 -29.583 1.00 21.05 C ATOM 0 H ILE A 79 -17.394 -11.177 -25.428 1.00 42.42 H new ATOM 0 HA ILE A 79 -15.199 -11.193 -25.624 1.00 25.24 H new ATOM 0 HB ILE A 79 -15.491 -10.056 -28.422 1.00 4.04 H new ATOM 0 HG12 ILE A 79 -16.159 -12.866 -27.479 1.00 52.41 H new ATOM 0 HG13 ILE A 79 -17.297 -11.689 -28.107 1.00 52.41 H new ATOM 0 HG21 ILE A 79 -13.674 -11.647 -28.912 1.00 12.02 H new ATOM 0 HG22 ILE A 79 -13.221 -10.508 -27.621 1.00 12.02 H new ATOM 0 HG23 ILE A 79 -13.685 -12.177 -27.213 1.00 12.02 H new ATOM 0 HD11 ILE A 79 -16.715 -13.342 -29.814 1.00 21.05 H new ATOM 0 HD12 ILE A 79 -16.148 -11.725 -30.293 1.00 21.05 H new ATOM 0 HD13 ILE A 79 -14.993 -12.920 -29.655 1.00 21.05 H new ATOM 1174 N SER A 80 -15.585 -8.347 -25.137 1.00 41.31 N ATOM 1175 CA SER A 80 -15.084 -7.018 -24.806 1.00 40.12 C ATOM 1176 C SER A 80 -13.960 -7.102 -23.778 1.00 44.54 C ATOM 1177 O SER A 80 -13.969 -7.965 -22.901 1.00 1.43 O ATOM 1178 CB SER A 80 -16.217 -6.142 -24.269 1.00 12.30 C ATOM 1179 OG SER A 80 -17.450 -6.466 -24.888 1.00 30.11 O ATOM 0 H SER A 80 -16.404 -8.635 -24.601 1.00 41.31 H new ATOM 0 HA SER A 80 -14.687 -6.569 -25.717 1.00 40.12 H new ATOM 0 HB2 SER A 80 -16.302 -6.274 -23.190 1.00 12.30 H new ATOM 0 HB3 SER A 80 -15.983 -5.092 -24.445 1.00 12.30 H new ATOM 0 HG SER A 80 -18.123 -5.795 -24.649 1.00 30.11 H new ATOM 1185 N SER A 81 -12.992 -6.198 -23.895 1.00 23.04 N ATOM 1186 CA SER A 81 -11.857 -6.171 -22.979 1.00 13.13 C ATOM 1187 C SER A 81 -11.175 -4.807 -23.000 1.00 4.32 C ATOM 1188 O SER A 81 -11.204 -4.100 -24.008 1.00 31.32 O ATOM 1189 CB SER A 81 -10.851 -7.263 -23.347 1.00 33.12 C ATOM 1190 OG SER A 81 -10.725 -8.213 -22.303 1.00 2.23 O ATOM 0 H SER A 81 -12.971 -5.475 -24.614 1.00 23.04 H new ATOM 0 HA SER A 81 -12.230 -6.356 -21.972 1.00 13.13 H new ATOM 0 HB2 SER A 81 -11.171 -7.763 -24.261 1.00 33.12 H new ATOM 0 HB3 SER A 81 -9.880 -6.813 -23.553 1.00 33.12 H new ATOM 0 HG SER A 81 -10.078 -8.901 -22.563 1.00 2.23 H new ATOM 1196 N PHE A 82 -10.560 -4.442 -21.879 1.00 63.45 N ATOM 1197 CA PHE A 82 -9.870 -3.163 -21.767 1.00 42.44 C ATOM 1198 C PHE A 82 -8.741 -3.241 -20.744 1.00 0.03 C ATOM 1199 O PHE A 82 -8.860 -3.919 -19.723 1.00 53.00 O ATOM 1200 CB PHE A 82 -10.855 -2.061 -21.373 1.00 54.42 C ATOM 1201 CG PHE A 82 -11.285 -2.127 -19.935 1.00 43.44 C ATOM 1202 CD1 PHE A 82 -12.084 -3.165 -19.484 1.00 51.43 C ATOM 1203 CD2 PHE A 82 -10.888 -1.151 -19.035 1.00 35.23 C ATOM 1204 CE1 PHE A 82 -12.481 -3.227 -18.162 1.00 71.20 C ATOM 1205 CE2 PHE A 82 -11.282 -1.209 -17.711 1.00 11.30 C ATOM 1206 CZ PHE A 82 -12.079 -2.249 -17.274 1.00 3.20 C ATOM 0 H PHE A 82 -10.526 -5.015 -21.036 1.00 63.45 H new ATOM 0 HA PHE A 82 -9.439 -2.925 -22.740 1.00 42.44 H new ATOM 0 HB2 PHE A 82 -10.397 -1.090 -21.563 1.00 54.42 H new ATOM 0 HB3 PHE A 82 -11.736 -2.127 -22.011 1.00 54.42 H new ATOM 0 HD1 PHE A 82 -12.400 -3.934 -20.173 1.00 51.43 H new ATOM 0 HD2 PHE A 82 -10.264 -0.336 -19.371 1.00 35.23 H new ATOM 0 HE1 PHE A 82 -13.106 -4.040 -17.823 1.00 71.20 H new ATOM 0 HE2 PHE A 82 -10.967 -0.442 -17.019 1.00 11.30 H new ATOM 0 HZ PHE A 82 -12.387 -2.297 -16.240 1.00 3.20 H new ATOM 1216 N ARG A 83 -7.646 -2.543 -21.025 1.00 44.00 N ATOM 1217 CA ARG A 83 -6.494 -2.535 -20.131 1.00 13.55 C ATOM 1218 C ARG A 83 -6.154 -1.112 -19.696 1.00 11.02 C ATOM 1219 O ARG A 83 -6.366 -0.158 -20.443 1.00 54.41 O ATOM 1220 CB ARG A 83 -5.285 -3.173 -20.816 1.00 3.04 C ATOM 1221 CG ARG A 83 -5.493 -4.633 -21.183 1.00 53.03 C ATOM 1222 CD ARG A 83 -5.209 -5.550 -20.004 1.00 61.54 C ATOM 1223 NE ARG A 83 -3.890 -6.171 -20.100 1.00 35.53 N ATOM 1224 CZ ARG A 83 -3.461 -7.114 -19.269 1.00 25.52 C ATOM 1225 NH1 ARG A 83 -4.241 -7.543 -18.286 1.00 62.03 N ATOM 1226 NH2 ARG A 83 -2.248 -7.631 -19.420 1.00 63.12 N ATOM 0 H ARG A 83 -7.532 -1.975 -21.865 1.00 44.00 H new ATOM 0 HA ARG A 83 -6.749 -3.117 -19.245 1.00 13.55 H new ATOM 0 HB2 ARG A 83 -5.051 -2.610 -21.719 1.00 3.04 H new ATOM 0 HB3 ARG A 83 -4.420 -3.092 -20.157 1.00 3.04 H new ATOM 0 HG2 ARG A 83 -6.518 -4.781 -21.522 1.00 53.03 H new ATOM 0 HG3 ARG A 83 -4.841 -4.896 -22.016 1.00 53.03 H new ATOM 0 HD2 ARG A 83 -5.275 -4.980 -19.077 1.00 61.54 H new ATOM 0 HD3 ARG A 83 -5.973 -6.326 -19.956 1.00 61.54 H new ATOM 0 HE ARG A 83 -3.265 -5.864 -20.845 1.00 35.53 H new ATOM 0 HH11 ARG A 83 -5.174 -7.149 -18.166 1.00 62.03 H new ATOM 0 HH12 ARG A 83 -3.908 -8.267 -17.650 1.00 62.03 H new ATOM 0 HH21 ARG A 83 -1.645 -7.304 -20.175 1.00 63.12 H new ATOM 0 HH22 ARG A 83 -1.919 -8.355 -18.781 1.00 63.12 H new ATOM 1240 N GLN A 84 -5.626 -0.980 -18.483 1.00 50.43 N ATOM 1241 CA GLN A 84 -5.258 0.326 -17.949 1.00 40.44 C ATOM 1242 C GLN A 84 -3.743 0.457 -17.827 1.00 14.23 C ATOM 1243 O GLN A 84 -3.045 -0.524 -17.569 1.00 51.31 O ATOM 1244 CB GLN A 84 -5.913 0.546 -16.585 1.00 20.13 C ATOM 1245 CG GLN A 84 -7.427 0.411 -16.608 1.00 0.23 C ATOM 1246 CD GLN A 84 -7.911 -0.848 -15.916 1.00 14.44 C ATOM 1247 OE1 GLN A 84 -8.692 -1.617 -16.477 1.00 23.33 O ATOM 1248 NE2 GLN A 84 -7.450 -1.064 -14.689 1.00 72.13 N ATOM 0 H GLN A 84 -5.444 -1.761 -17.852 1.00 50.43 H new ATOM 0 HA GLN A 84 -5.615 1.088 -18.642 1.00 40.44 H new ATOM 0 HB2 GLN A 84 -5.503 -0.172 -15.875 1.00 20.13 H new ATOM 0 HB3 GLN A 84 -5.651 1.539 -16.221 1.00 20.13 H new ATOM 0 HG2 GLN A 84 -7.873 1.281 -16.125 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -7.772 0.408 -17.642 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -6.804 -0.400 -14.263 1.00 72.13 H new ATOM 0 HE22 GLN A 84 -7.742 -1.894 -14.173 1.00 72.13 H new ATOM 1257 N ILE A 85 -3.243 1.674 -18.013 1.00 64.31 N ATOM 1258 CA ILE A 85 -1.811 1.932 -17.922 1.00 60.04 C ATOM 1259 C ILE A 85 -1.504 2.951 -16.830 1.00 33.42 C ATOM 1260 O ILE A 85 -1.664 4.148 -17.061 1.00 2.23 O ATOM 1261 CB ILE A 85 -1.246 2.445 -19.260 1.00 64.21 C ATOM 1262 CG1 ILE A 85 -1.762 1.590 -20.419 1.00 35.53 C ATOM 1263 CG2 ILE A 85 0.275 2.440 -19.229 1.00 5.33 C ATOM 1264 CD1 ILE A 85 -1.440 0.119 -20.275 1.00 24.31 C ATOM 0 H ILE A 85 -3.808 2.496 -18.227 1.00 64.31 H new ATOM 0 HA ILE A 85 -1.334 0.983 -17.675 1.00 60.04 H new ATOM 0 HB ILE A 85 -1.585 3.470 -19.411 1.00 64.21 H new ATOM 0 HG12 ILE A 85 -2.842 1.711 -20.496 1.00 35.53 H new ATOM 0 HG13 ILE A 85 -1.332 1.958 -21.351 1.00 35.53 H new ATOM 0 HG21 ILE A 85 0.660 2.805 -20.181 1.00 5.33 H new ATOM 0 HG22 ILE A 85 0.625 3.087 -18.424 1.00 5.33 H new ATOM 0 HG23 ILE A 85 0.632 1.424 -19.059 1.00 5.33 H new ATOM 0 HD11 ILE A 85 -1.836 -0.426 -21.132 1.00 24.31 H new ATOM 0 HD12 ILE A 85 -0.359 -0.014 -20.228 1.00 24.31 H new ATOM 0 HD13 ILE A 85 -1.893 -0.265 -19.361 1.00 24.31 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.016 -2.255 -21.196 1.00 3.45 CA HETATM 1278 CA CA A 136 -18.460 -5.468 -27.263 1.00 4.34 CA