USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 791 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 71 SER OG : rot 180:sc= -0.643 USER MOD Set 1.2: A 74 SER OG : rot -36:sc= 1.02 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0905 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 6 THR OG1 : rot 93:sc= 0.779 USER MOD Single : A 9 SER OG : rot 79:sc= -1.1 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.36) USER MOD Single : A 27 THR OG1 : rot 62:sc= 0.883 USER MOD Single : A 28 GLN : amide:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.607 (180deg=-1.69!) USER MOD Single : A 41 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.754 X(o=-0.75,f=-1.1) USER MOD Single : A 43 THR OG1 : rot -54:sc= 2.06 USER MOD Single : A 47 THR OG1 : rot -129:sc= -0.787 USER MOD Single : A 49 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.29) USER MOD Single : A 51 GLN : amide:sc= -2.07 K(o=-2.1,f=-3.4) USER MOD Single : A 53 GLN : amide:sc= -1.84 K(o=-1.8,f=-8.6!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=-0.13) USER MOD Single : A 62 MET CE :methyl -164:sc= -0.294 (180deg=-1.34) USER MOD Single : A 63 GLN : amide:sc= -1.03 X(o=-1,f=-0.77) USER MOD Single : A 68 THR OG1 : rot -47:sc= 0.883 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0112) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.115 K(o=0.12,f=-5.8!) USER MOD Single : A 82 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.2) USER MOD Single : A 83 ASN : amide:sc= -0.0015 K(o=-0.0015,f=-0.58) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0433) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.533 11.529 -7.377 1.00 32.41 N ATOM 2 CA GLY A 1 18.743 10.473 -7.985 1.00 2.55 C ATOM 3 C GLY A 1 18.129 9.544 -6.957 1.00 21.22 C ATOM 4 O GLY A 1 18.401 9.662 -5.762 1.00 61.34 O ATOM 0 H1 GLY A 1 19.089 12.450 -7.570 1.00 32.41 H new ATOM 0 H2 GLY A 1 19.583 11.377 -6.349 1.00 32.41 H new ATOM 0 H3 GLY A 1 20.494 11.517 -7.776 1.00 32.41 H new ATOM 0 HA2 GLY A 1 17.951 10.917 -8.588 1.00 2.55 H new ATOM 0 HA3 GLY A 1 19.373 9.896 -8.662 1.00 2.55 H new ATOM 8 N ALA A 2 17.297 8.618 -7.421 1.00 71.44 N ATOM 9 CA ALA A 2 16.643 7.664 -6.534 1.00 52.10 C ATOM 10 C ALA A 2 16.385 6.340 -7.245 1.00 62.10 C ATOM 11 O ALA A 2 16.293 6.292 -8.471 1.00 73.40 O ATOM 12 CB ALA A 2 15.339 8.244 -6.005 1.00 61.33 C ATOM 0 H ALA A 2 17.060 8.508 -8.407 1.00 71.44 H new ATOM 0 HA ALA A 2 17.310 7.471 -5.694 1.00 52.10 H new ATOM 0 HB1 ALA A 2 14.861 7.521 -5.344 1.00 61.33 H new ATOM 0 HB2 ALA A 2 15.546 9.160 -5.452 1.00 61.33 H new ATOM 0 HB3 ALA A 2 14.675 8.467 -6.840 1.00 61.33 H new ATOM 18 N GLU A 3 16.271 5.268 -6.467 1.00 24.01 N ATOM 19 CA GLU A 3 16.026 3.943 -7.024 1.00 42.02 C ATOM 20 C GLU A 3 14.723 3.359 -6.486 1.00 23.13 C ATOM 21 O GLU A 3 13.717 3.303 -7.191 1.00 11.30 O ATOM 22 CB GLU A 3 17.191 3.005 -6.700 1.00 11.34 C ATOM 23 CG GLU A 3 18.461 3.323 -7.470 1.00 3.51 C ATOM 24 CD GLU A 3 19.713 2.867 -6.746 1.00 33.35 C ATOM 25 OE1 GLU A 3 19.656 1.824 -6.062 1.00 33.44 O ATOM 26 OE2 GLU A 3 20.749 3.553 -6.863 1.00 44.21 O ATOM 0 H GLU A 3 16.344 5.291 -5.450 1.00 24.01 H new ATOM 0 HA GLU A 3 15.940 4.042 -8.106 1.00 42.02 H new ATOM 0 HB2 GLU A 3 17.401 3.056 -5.632 1.00 11.34 H new ATOM 0 HB3 GLU A 3 16.892 1.980 -6.917 1.00 11.34 H new ATOM 0 HG2 GLU A 3 18.417 2.845 -8.448 1.00 3.51 H new ATOM 0 HG3 GLU A 3 18.517 4.398 -7.643 1.00 3.51 H new ATOM 33 N GLY A 4 14.751 2.923 -5.230 1.00 2.54 N ATOM 34 CA GLY A 4 13.568 2.349 -4.617 1.00 72.53 C ATOM 35 C GLY A 4 12.962 1.240 -5.455 1.00 52.11 C ATOM 36 O GLY A 4 13.676 0.510 -6.141 1.00 42.41 O ATOM 0 H GLY A 4 15.572 2.957 -4.626 1.00 2.54 H new ATOM 0 HA2 GLY A 4 13.826 1.957 -3.633 1.00 72.53 H new ATOM 0 HA3 GLY A 4 12.825 3.132 -4.464 1.00 72.53 H new ATOM 40 N ASN A 5 11.640 1.112 -5.398 1.00 41.52 N ATOM 41 CA ASN A 5 10.938 0.083 -6.156 1.00 63.03 C ATOM 42 C ASN A 5 11.149 0.273 -7.655 1.00 61.54 C ATOM 43 O ASN A 5 10.461 1.068 -8.295 1.00 53.33 O ATOM 44 CB ASN A 5 9.443 0.112 -5.832 1.00 62.15 C ATOM 45 CG ASN A 5 9.163 -0.179 -4.371 1.00 15.22 C ATOM 46 OD1 ASN A 5 8.413 0.545 -3.715 1.00 75.34 O ATOM 47 ND2 ASN A 5 9.766 -1.243 -3.853 1.00 14.41 N ATOM 0 H ASN A 5 11.034 1.708 -4.835 1.00 41.52 H new ATOM 0 HA ASN A 5 11.346 -0.886 -5.870 1.00 63.03 H new ATOM 0 HB2 ASN A 5 9.037 1.090 -6.089 1.00 62.15 H new ATOM 0 HB3 ASN A 5 8.925 -0.621 -6.451 1.00 62.15 H new ATOM 0 HD21 ASN A 5 9.616 -1.488 -2.874 1.00 14.41 H new ATOM 0 HD22 ASN A 5 10.379 -1.815 -4.434 1.00 14.41 H new ATOM 54 N THR A 6 12.106 -0.465 -8.211 1.00 12.21 N ATOM 55 CA THR A 6 12.408 -0.378 -9.634 1.00 23.31 C ATOM 56 C THR A 6 12.643 -1.761 -10.231 1.00 72.03 C ATOM 57 O THR A 6 13.675 -2.387 -9.987 1.00 62.14 O ATOM 58 CB THR A 6 13.649 0.497 -9.892 1.00 40.23 C ATOM 59 OG1 THR A 6 13.422 1.825 -9.407 1.00 34.15 O ATOM 60 CG2 THR A 6 13.978 0.544 -11.377 1.00 5.43 C ATOM 0 H THR A 6 12.685 -1.129 -7.697 1.00 12.21 H new ATOM 0 HA THR A 6 11.543 0.080 -10.114 1.00 23.31 H new ATOM 0 HB THR A 6 14.493 0.057 -9.362 1.00 40.23 H new ATOM 0 HG1 THR A 6 13.752 1.898 -8.487 1.00 34.15 H new ATOM 0 HG21 THR A 6 14.858 1.168 -11.535 1.00 5.43 H new ATOM 0 HG22 THR A 6 14.179 -0.465 -11.737 1.00 5.43 H new ATOM 0 HG23 THR A 6 13.133 0.963 -11.924 1.00 5.43 H new ATOM 68 N LEU A 7 11.680 -2.233 -11.015 1.00 54.31 N ATOM 69 CA LEU A 7 11.782 -3.543 -11.649 1.00 13.31 C ATOM 70 C LEU A 7 13.058 -3.649 -12.477 1.00 40.23 C ATOM 71 O LEU A 7 13.159 -3.065 -13.557 1.00 3.13 O ATOM 72 CB LEU A 7 10.562 -3.798 -12.536 1.00 32.53 C ATOM 73 CG LEU A 7 9.394 -4.533 -11.876 1.00 24.23 C ATOM 74 CD1 LEU A 7 9.836 -5.903 -11.383 1.00 12.53 C ATOM 75 CD2 LEU A 7 8.825 -3.710 -10.730 1.00 4.44 C ATOM 0 H LEU A 7 10.819 -1.728 -11.227 1.00 54.31 H new ATOM 0 HA LEU A 7 11.817 -4.298 -10.864 1.00 13.31 H new ATOM 0 HB2 LEU A 7 10.199 -2.839 -12.905 1.00 32.53 H new ATOM 0 HB3 LEU A 7 10.883 -4.373 -13.404 1.00 32.53 H new ATOM 0 HG LEU A 7 8.610 -4.673 -12.620 1.00 24.23 H new ATOM 0 HD11 LEU A 7 8.992 -6.411 -10.916 1.00 12.53 H new ATOM 0 HD12 LEU A 7 10.195 -6.494 -12.225 1.00 12.53 H new ATOM 0 HD13 LEU A 7 10.638 -5.786 -10.654 1.00 12.53 H new ATOM 0 HD21 LEU A 7 7.995 -4.248 -10.272 1.00 4.44 H new ATOM 0 HD22 LEU A 7 9.602 -3.539 -9.984 1.00 4.44 H new ATOM 0 HD23 LEU A 7 8.470 -2.752 -11.111 1.00 4.44 H new ATOM 87 N ILE A 8 14.028 -4.399 -11.966 1.00 43.01 N ATOM 88 CA ILE A 8 15.296 -4.584 -12.661 1.00 24.25 C ATOM 89 C ILE A 8 15.488 -6.039 -13.076 1.00 42.21 C ATOM 90 O ILE A 8 14.868 -6.942 -12.515 1.00 64.31 O ATOM 91 CB ILE A 8 16.487 -4.151 -11.784 1.00 74.12 C ATOM 92 CG1 ILE A 8 16.373 -4.770 -10.389 1.00 54.53 C ATOM 93 CG2 ILE A 8 16.553 -2.634 -11.693 1.00 52.12 C ATOM 94 CD1 ILE A 8 17.652 -4.690 -9.587 1.00 25.41 C ATOM 0 H ILE A 8 13.960 -4.888 -11.074 1.00 43.01 H new ATOM 0 HA ILE A 8 15.263 -3.956 -13.551 1.00 24.25 H new ATOM 0 HB ILE A 8 17.408 -4.508 -12.245 1.00 74.12 H new ATOM 0 HG12 ILE A 8 15.577 -4.266 -9.840 1.00 54.53 H new ATOM 0 HG13 ILE A 8 16.080 -5.815 -10.487 1.00 54.53 H new ATOM 0 HG21 ILE A 8 17.399 -2.343 -11.070 1.00 52.12 H new ATOM 0 HG22 ILE A 8 16.676 -2.215 -12.692 1.00 52.12 H new ATOM 0 HG23 ILE A 8 15.631 -2.256 -11.252 1.00 52.12 H new ATOM 0 HD11 ILE A 8 17.498 -5.148 -8.610 1.00 25.41 H new ATOM 0 HD12 ILE A 8 18.446 -5.219 -10.114 1.00 25.41 H new ATOM 0 HD13 ILE A 8 17.936 -3.646 -9.458 1.00 25.41 H new ATOM 106 N SER A 9 16.353 -6.258 -14.062 1.00 15.21 N ATOM 107 CA SER A 9 16.625 -7.603 -14.555 1.00 3.15 C ATOM 108 C SER A 9 18.127 -7.836 -14.695 1.00 55.24 C ATOM 109 O SER A 9 18.860 -6.967 -15.168 1.00 13.14 O ATOM 110 CB SER A 9 15.935 -7.825 -15.901 1.00 74.54 C ATOM 111 OG SER A 9 16.548 -7.057 -16.922 1.00 53.00 O ATOM 0 H SER A 9 16.877 -5.521 -14.535 1.00 15.21 H new ATOM 0 HA SER A 9 16.230 -8.316 -13.831 1.00 3.15 H new ATOM 0 HB2 SER A 9 15.975 -8.882 -16.163 1.00 74.54 H new ATOM 0 HB3 SER A 9 14.882 -7.556 -15.822 1.00 74.54 H new ATOM 0 HG SER A 9 17.371 -7.501 -17.216 1.00 53.00 H new ATOM 117 N VAL A 10 18.577 -9.016 -14.282 1.00 3.12 N ATOM 118 CA VAL A 10 19.991 -9.365 -14.362 1.00 74.41 C ATOM 119 C VAL A 10 20.185 -10.877 -14.333 1.00 24.11 C ATOM 120 O VAL A 10 19.376 -11.607 -13.761 1.00 14.35 O ATOM 121 CB VAL A 10 20.791 -8.733 -13.208 1.00 65.23 C ATOM 122 CG1 VAL A 10 20.387 -9.349 -11.877 1.00 43.34 C ATOM 123 CG2 VAL A 10 22.285 -8.893 -13.447 1.00 43.32 C ATOM 0 H VAL A 10 17.984 -9.747 -13.889 1.00 3.12 H new ATOM 0 HA VAL A 10 20.362 -8.972 -15.309 1.00 74.41 H new ATOM 0 HB VAL A 10 20.563 -7.668 -13.171 1.00 65.23 H new ATOM 0 HG11 VAL A 10 20.963 -8.890 -11.074 1.00 43.34 H new ATOM 0 HG12 VAL A 10 19.324 -9.178 -11.705 1.00 43.34 H new ATOM 0 HG13 VAL A 10 20.584 -10.421 -11.897 1.00 43.34 H new ATOM 0 HG21 VAL A 10 22.836 -8.441 -12.622 1.00 43.32 H new ATOM 0 HG22 VAL A 10 22.532 -9.953 -13.511 1.00 43.32 H new ATOM 0 HG23 VAL A 10 22.559 -8.400 -14.380 1.00 43.32 H new ATOM 133 N ASP A 11 21.265 -11.341 -14.953 1.00 53.11 N ATOM 134 CA ASP A 11 21.568 -12.767 -14.997 1.00 53.32 C ATOM 135 C ASP A 11 22.776 -13.093 -14.125 1.00 11.33 C ATOM 136 O ASP A 11 23.588 -12.219 -13.820 1.00 64.13 O ATOM 137 CB ASP A 11 21.829 -13.210 -16.438 1.00 33.14 C ATOM 138 CG ASP A 11 22.056 -14.705 -16.551 1.00 44.40 C ATOM 139 OD1 ASP A 11 23.207 -15.147 -16.351 1.00 44.41 O ATOM 140 OD2 ASP A 11 21.084 -15.432 -16.839 1.00 35.41 O ATOM 0 H ASP A 11 21.945 -10.750 -15.432 1.00 53.11 H new ATOM 0 HA ASP A 11 20.706 -13.309 -14.609 1.00 53.32 H new ATOM 0 HB2 ASP A 11 20.982 -12.926 -17.062 1.00 33.14 H new ATOM 0 HB3 ASP A 11 22.701 -12.683 -16.825 1.00 33.14 H new ATOM 145 N TYR A 12 22.887 -14.355 -13.725 1.00 0.51 N ATOM 146 CA TYR A 12 23.994 -14.795 -12.884 1.00 71.23 C ATOM 147 C TYR A 12 24.531 -16.144 -13.354 1.00 0.23 C ATOM 148 O TYR A 12 23.811 -16.931 -13.966 1.00 71.25 O ATOM 149 CB TYR A 12 23.546 -14.892 -11.425 1.00 3.02 C ATOM 150 CG TYR A 12 22.353 -15.797 -11.216 1.00 63.10 C ATOM 151 CD1 TYR A 12 22.510 -17.174 -11.117 1.00 73.11 C ATOM 152 CD2 TYR A 12 21.069 -15.275 -11.117 1.00 5.13 C ATOM 153 CE1 TYR A 12 21.422 -18.005 -10.927 1.00 44.42 C ATOM 154 CE2 TYR A 12 19.976 -16.098 -10.925 1.00 44.22 C ATOM 155 CZ TYR A 12 20.158 -17.462 -10.832 1.00 10.14 C ATOM 156 OH TYR A 12 19.072 -18.286 -10.641 1.00 5.21 O ATOM 0 H TYR A 12 22.224 -15.091 -13.969 1.00 0.51 H new ATOM 0 HA TYR A 12 24.793 -14.058 -12.963 1.00 71.23 H new ATOM 0 HB2 TYR A 12 24.378 -15.256 -10.822 1.00 3.02 H new ATOM 0 HB3 TYR A 12 23.302 -13.894 -11.062 1.00 3.02 H new ATOM 0 HD1 TYR A 12 23.499 -17.602 -11.190 1.00 73.11 H new ATOM 0 HD2 TYR A 12 20.923 -14.208 -11.191 1.00 5.13 H new ATOM 0 HE1 TYR A 12 21.561 -19.073 -10.853 1.00 44.42 H new ATOM 0 HE2 TYR A 12 18.985 -15.676 -10.848 1.00 44.22 H new ATOM 0 HH TYR A 12 18.256 -17.746 -10.595 1.00 5.21 H new ATOM 166 N GLU A 13 25.802 -16.402 -13.060 1.00 74.02 N ATOM 167 CA GLU A 13 26.436 -17.655 -13.452 1.00 60.11 C ATOM 168 C GLU A 13 27.315 -18.195 -12.327 1.00 73.24 C ATOM 169 O GLU A 13 28.066 -17.448 -11.699 1.00 72.34 O ATOM 170 CB GLU A 13 27.273 -17.455 -14.717 1.00 5.20 C ATOM 171 CG GLU A 13 27.470 -18.727 -15.525 1.00 2.35 C ATOM 172 CD GLU A 13 28.237 -18.488 -16.811 1.00 75.31 C ATOM 173 OE1 GLU A 13 29.480 -18.392 -16.753 1.00 1.05 O ATOM 174 OE2 GLU A 13 27.592 -18.398 -17.877 1.00 33.31 O ATOM 0 H GLU A 13 26.412 -15.761 -12.552 1.00 74.02 H new ATOM 0 HA GLU A 13 25.650 -18.382 -13.657 1.00 60.11 H new ATOM 0 HB2 GLU A 13 26.792 -16.706 -15.346 1.00 5.20 H new ATOM 0 HB3 GLU A 13 28.249 -17.057 -14.438 1.00 5.20 H new ATOM 0 HG2 GLU A 13 28.004 -19.459 -14.919 1.00 2.35 H new ATOM 0 HG3 GLU A 13 26.497 -19.157 -15.761 1.00 2.35 H new ATOM 181 N ILE A 14 27.214 -19.497 -12.079 1.00 41.41 N ATOM 182 CA ILE A 14 27.999 -20.137 -11.031 1.00 44.32 C ATOM 183 C ILE A 14 28.922 -21.204 -11.610 1.00 34.42 C ATOM 184 O ILE A 14 28.608 -21.827 -12.625 1.00 22.24 O ATOM 185 CB ILE A 14 27.095 -20.780 -9.963 1.00 50.41 C ATOM 186 CG1 ILE A 14 26.025 -19.787 -9.505 1.00 53.31 C ATOM 187 CG2 ILE A 14 27.927 -21.253 -8.780 1.00 75.34 C ATOM 188 CD1 ILE A 14 26.593 -18.502 -8.944 1.00 33.25 C ATOM 0 H ILE A 14 26.597 -20.129 -12.589 1.00 41.41 H new ATOM 0 HA ILE A 14 28.599 -19.356 -10.564 1.00 44.32 H new ATOM 0 HB ILE A 14 26.598 -21.645 -10.402 1.00 50.41 H new ATOM 0 HG12 ILE A 14 25.376 -19.550 -10.348 1.00 53.31 H new ATOM 0 HG13 ILE A 14 25.402 -20.261 -8.746 1.00 53.31 H new ATOM 0 HG21 ILE A 14 27.274 -21.705 -8.034 1.00 75.34 H new ATOM 0 HG22 ILE A 14 28.655 -21.990 -9.119 1.00 75.34 H new ATOM 0 HG23 ILE A 14 28.448 -20.403 -8.339 1.00 75.34 H new ATOM 0 HD11 ILE A 14 25.777 -17.846 -8.640 1.00 33.25 H new ATOM 0 HD12 ILE A 14 27.219 -18.727 -8.081 1.00 33.25 H new ATOM 0 HD13 ILE A 14 27.193 -18.006 -9.707 1.00 33.25 H new ATOM 200 N PHE A 15 30.060 -21.412 -10.957 1.00 20.45 N ATOM 201 CA PHE A 15 31.028 -22.406 -11.405 1.00 64.03 C ATOM 202 C PHE A 15 31.498 -23.273 -10.240 1.00 41.45 C ATOM 203 O PHE A 15 31.777 -22.771 -9.152 1.00 43.04 O ATOM 204 CB PHE A 15 32.228 -21.720 -12.061 1.00 43.34 C ATOM 205 CG PHE A 15 33.299 -22.676 -12.502 1.00 22.42 C ATOM 206 CD1 PHE A 15 32.993 -23.749 -13.324 1.00 10.11 C ATOM 207 CD2 PHE A 15 34.612 -22.503 -12.094 1.00 70.01 C ATOM 208 CE1 PHE A 15 33.976 -24.631 -13.730 1.00 24.12 C ATOM 209 CE2 PHE A 15 35.600 -23.382 -12.497 1.00 52.22 C ATOM 210 CZ PHE A 15 35.282 -24.447 -13.317 1.00 54.30 C ATOM 0 H PHE A 15 30.335 -20.905 -10.115 1.00 20.45 H new ATOM 0 HA PHE A 15 30.539 -23.048 -12.138 1.00 64.03 H new ATOM 0 HB2 PHE A 15 31.883 -21.150 -12.924 1.00 43.34 H new ATOM 0 HB3 PHE A 15 32.657 -21.006 -11.358 1.00 43.34 H new ATOM 0 HD1 PHE A 15 31.974 -23.897 -13.651 1.00 10.11 H new ATOM 0 HD2 PHE A 15 34.867 -21.671 -11.454 1.00 70.01 H new ATOM 0 HE1 PHE A 15 33.724 -25.464 -14.370 1.00 24.12 H new ATOM 0 HE2 PHE A 15 36.619 -23.236 -12.171 1.00 52.22 H new ATOM 0 HZ PHE A 15 36.052 -25.134 -13.635 1.00 54.30 H new ATOM 220 N GLY A 16 31.582 -24.578 -10.478 1.00 22.20 N ATOM 221 CA GLY A 16 32.017 -25.494 -9.440 1.00 64.41 C ATOM 222 C GLY A 16 31.157 -26.741 -9.369 1.00 45.32 C ATOM 223 O GLY A 16 30.866 -27.362 -10.391 1.00 71.41 O ATOM 0 H GLY A 16 31.357 -25.017 -11.371 1.00 22.20 H new ATOM 0 HA2 GLY A 16 33.053 -25.781 -9.623 1.00 64.41 H new ATOM 0 HA3 GLY A 16 31.993 -24.985 -8.477 1.00 64.41 H new ATOM 227 N LYS A 17 30.751 -27.109 -8.159 1.00 20.10 N ATOM 228 CA LYS A 17 29.920 -28.290 -7.957 1.00 13.20 C ATOM 229 C LYS A 17 28.564 -28.123 -8.636 1.00 31.14 C ATOM 230 O LYS A 17 27.923 -29.104 -9.013 1.00 52.14 O ATOM 231 CB LYS A 17 29.725 -28.552 -6.462 1.00 12.21 C ATOM 232 CG LYS A 17 29.174 -29.933 -6.153 1.00 74.13 C ATOM 233 CD LYS A 17 30.279 -30.973 -6.090 1.00 23.44 C ATOM 234 CE LYS A 17 29.858 -32.185 -5.272 1.00 5.22 C ATOM 235 NZ LYS A 17 30.825 -33.309 -5.409 1.00 30.42 N ATOM 0 H LYS A 17 30.984 -26.606 -7.303 1.00 20.10 H new ATOM 0 HA LYS A 17 30.429 -29.143 -8.406 1.00 13.20 H new ATOM 0 HB2 LYS A 17 30.681 -28.429 -5.953 1.00 12.21 H new ATOM 0 HB3 LYS A 17 29.048 -27.801 -6.055 1.00 12.21 H new ATOM 0 HG2 LYS A 17 28.641 -29.909 -5.202 1.00 74.13 H new ATOM 0 HG3 LYS A 17 28.450 -30.216 -6.917 1.00 74.13 H new ATOM 0 HD2 LYS A 17 30.542 -31.288 -7.100 1.00 23.44 H new ATOM 0 HD3 LYS A 17 31.173 -30.529 -5.652 1.00 23.44 H new ATOM 0 HE2 LYS A 17 29.775 -31.904 -4.222 1.00 5.22 H new ATOM 0 HE3 LYS A 17 28.870 -32.515 -5.593 1.00 5.22 H new ATOM 0 HZ1 LYS A 17 30.503 -34.116 -4.837 1.00 30.42 H new ATOM 0 HZ2 LYS A 17 30.886 -33.595 -6.407 1.00 30.42 H new ATOM 0 HZ3 LYS A 17 31.762 -33.003 -5.079 1.00 30.42 H new ATOM 249 N VAL A 18 28.133 -26.875 -8.789 1.00 1.15 N ATOM 250 CA VAL A 18 26.855 -26.580 -9.424 1.00 55.13 C ATOM 251 C VAL A 18 26.773 -27.207 -10.811 1.00 73.33 C ATOM 252 O VAL A 18 25.685 -27.497 -11.308 1.00 71.23 O ATOM 253 CB VAL A 18 26.625 -25.062 -9.545 1.00 51.32 C ATOM 254 CG1 VAL A 18 26.671 -24.404 -8.175 1.00 14.34 C ATOM 255 CG2 VAL A 18 27.653 -24.440 -10.478 1.00 62.55 C ATOM 0 H VAL A 18 28.651 -26.052 -8.481 1.00 1.15 H new ATOM 0 HA VAL A 18 26.080 -27.008 -8.788 1.00 55.13 H new ATOM 0 HB VAL A 18 25.635 -24.895 -9.969 1.00 51.32 H new ATOM 0 HG11 VAL A 18 26.506 -23.332 -8.281 1.00 14.34 H new ATOM 0 HG12 VAL A 18 25.893 -24.830 -7.541 1.00 14.34 H new ATOM 0 HG13 VAL A 18 27.646 -24.578 -7.720 1.00 14.34 H new ATOM 0 HG21 VAL A 18 27.475 -23.367 -10.552 1.00 62.55 H new ATOM 0 HG22 VAL A 18 28.654 -24.616 -10.085 1.00 62.55 H new ATOM 0 HG23 VAL A 18 27.567 -24.891 -11.467 1.00 62.55 H new ATOM 265 N GLN A 19 27.931 -27.414 -11.430 1.00 75.43 N ATOM 266 CA GLN A 19 27.989 -28.008 -12.761 1.00 4.31 C ATOM 267 C GLN A 19 27.251 -29.342 -12.795 1.00 50.33 C ATOM 268 O GLN A 19 26.488 -29.617 -13.720 1.00 41.34 O ATOM 269 CB GLN A 19 29.444 -28.205 -13.190 1.00 62.34 C ATOM 270 CG GLN A 19 30.027 -27.013 -13.931 1.00 2.40 C ATOM 271 CD GLN A 19 31.521 -27.139 -14.156 1.00 60.03 C ATOM 272 OE1 GLN A 19 32.317 -26.970 -13.232 1.00 15.22 O ATOM 273 NE2 GLN A 19 31.911 -27.438 -15.390 1.00 73.30 N ATOM 0 H GLN A 19 28.840 -27.180 -11.032 1.00 75.43 H new ATOM 0 HA GLN A 19 27.501 -27.327 -13.458 1.00 4.31 H new ATOM 0 HB2 GLN A 19 30.050 -28.405 -12.307 1.00 62.34 H new ATOM 0 HB3 GLN A 19 29.510 -29.086 -13.828 1.00 62.34 H new ATOM 0 HG2 GLN A 19 29.526 -26.908 -14.893 1.00 2.40 H new ATOM 0 HG3 GLN A 19 29.824 -26.104 -13.365 1.00 2.40 H new ATOM 0 HE21 GLN A 19 31.217 -27.570 -16.126 1.00 73.30 H new ATOM 0 HE22 GLN A 19 32.904 -27.536 -15.601 1.00 73.30 H new ATOM 282 N GLY A 20 27.484 -30.168 -11.780 1.00 12.12 N ATOM 283 CA GLY A 20 26.834 -31.464 -11.714 1.00 14.44 C ATOM 284 C GLY A 20 26.134 -31.694 -10.389 1.00 23.43 C ATOM 285 O GLY A 20 26.737 -32.196 -9.439 1.00 54.14 O ATOM 0 H GLY A 20 28.111 -29.963 -11.002 1.00 12.12 H new ATOM 0 HA2 GLY A 20 26.109 -31.545 -12.524 1.00 14.44 H new ATOM 0 HA3 GLY A 20 27.575 -32.247 -11.871 1.00 14.44 H new ATOM 289 N VAL A 21 24.859 -31.326 -10.323 1.00 33.14 N ATOM 290 CA VAL A 21 24.076 -31.495 -9.104 1.00 24.22 C ATOM 291 C VAL A 21 22.622 -31.096 -9.325 1.00 12.23 C ATOM 292 O VAL A 21 22.328 -30.184 -10.097 1.00 54.45 O ATOM 293 CB VAL A 21 24.656 -30.662 -7.945 1.00 33.20 C ATOM 294 CG1 VAL A 21 24.663 -29.184 -8.301 1.00 52.54 C ATOM 295 CG2 VAL A 21 23.867 -30.907 -6.667 1.00 65.32 C ATOM 0 H VAL A 21 24.346 -30.909 -11.099 1.00 33.14 H new ATOM 0 HA VAL A 21 24.123 -32.552 -8.841 1.00 24.22 H new ATOM 0 HB VAL A 21 25.686 -30.975 -7.775 1.00 33.20 H new ATOM 0 HG11 VAL A 21 25.076 -28.612 -7.470 1.00 52.54 H new ATOM 0 HG12 VAL A 21 25.274 -29.027 -9.190 1.00 52.54 H new ATOM 0 HG13 VAL A 21 23.644 -28.853 -8.499 1.00 52.54 H new ATOM 0 HG21 VAL A 21 24.290 -30.311 -5.858 1.00 65.32 H new ATOM 0 HG22 VAL A 21 22.826 -30.622 -6.822 1.00 65.32 H new ATOM 0 HG23 VAL A 21 23.919 -31.964 -6.404 1.00 65.32 H new ATOM 305 N PHE A 22 21.714 -31.785 -8.640 1.00 44.35 N ATOM 306 CA PHE A 22 20.289 -31.502 -8.762 1.00 31.41 C ATOM 307 C PHE A 22 19.875 -30.377 -7.818 1.00 40.13 C ATOM 308 O PHE A 22 19.220 -30.612 -6.802 1.00 64.45 O ATOM 309 CB PHE A 22 19.471 -32.760 -8.463 1.00 20.50 C ATOM 310 CG PHE A 22 19.925 -33.968 -9.233 1.00 11.40 C ATOM 311 CD1 PHE A 22 19.463 -34.200 -10.518 1.00 53.35 C ATOM 312 CD2 PHE A 22 20.814 -34.870 -8.672 1.00 1.33 C ATOM 313 CE1 PHE A 22 19.878 -35.310 -11.229 1.00 22.02 C ATOM 314 CE2 PHE A 22 21.234 -35.982 -9.377 1.00 55.24 C ATOM 315 CZ PHE A 22 20.766 -36.201 -10.658 1.00 74.51 C ATOM 0 H PHE A 22 21.940 -32.542 -7.995 1.00 44.35 H new ATOM 0 HA PHE A 22 20.093 -31.184 -9.786 1.00 31.41 H new ATOM 0 HB2 PHE A 22 19.529 -32.976 -7.396 1.00 20.50 H new ATOM 0 HB3 PHE A 22 18.423 -32.565 -8.692 1.00 20.50 H new ATOM 0 HD1 PHE A 22 18.770 -33.505 -10.970 1.00 53.35 H new ATOM 0 HD2 PHE A 22 21.184 -34.702 -7.671 1.00 1.33 H new ATOM 0 HE1 PHE A 22 19.509 -35.481 -12.229 1.00 22.02 H new ATOM 0 HE2 PHE A 22 21.927 -36.678 -8.927 1.00 55.24 H new ATOM 0 HZ PHE A 22 21.094 -37.068 -11.213 1.00 74.51 H new ATOM 325 N PHE A 23 20.262 -29.153 -8.161 1.00 43.13 N ATOM 326 CA PHE A 23 19.934 -27.990 -7.345 1.00 34.11 C ATOM 327 C PHE A 23 18.836 -27.157 -8.001 1.00 64.34 C ATOM 328 O PHE A 23 18.104 -26.433 -7.327 1.00 23.24 O ATOM 329 CB PHE A 23 21.178 -27.129 -7.121 1.00 44.04 C ATOM 330 CG PHE A 23 21.602 -26.360 -8.340 1.00 62.11 C ATOM 331 CD1 PHE A 23 22.288 -26.988 -9.367 1.00 42.35 C ATOM 332 CD2 PHE A 23 21.314 -25.010 -8.459 1.00 21.13 C ATOM 333 CE1 PHE A 23 22.680 -26.282 -10.490 1.00 31.35 C ATOM 334 CE2 PHE A 23 21.703 -24.300 -9.579 1.00 11.52 C ATOM 335 CZ PHE A 23 22.386 -24.937 -10.596 1.00 12.11 C ATOM 0 H PHE A 23 20.803 -28.941 -8.999 1.00 43.13 H new ATOM 0 HA PHE A 23 19.569 -28.346 -6.381 1.00 34.11 H new ATOM 0 HB2 PHE A 23 20.984 -26.429 -6.309 1.00 44.04 H new ATOM 0 HB3 PHE A 23 22.000 -27.769 -6.801 1.00 44.04 H new ATOM 0 HD1 PHE A 23 22.519 -28.040 -9.290 1.00 42.35 H new ATOM 0 HD2 PHE A 23 20.779 -24.507 -7.667 1.00 21.13 H new ATOM 0 HE1 PHE A 23 23.216 -26.782 -11.283 1.00 31.35 H new ATOM 0 HE2 PHE A 23 21.473 -23.248 -9.659 1.00 11.52 H new ATOM 0 HZ PHE A 23 22.690 -24.384 -11.473 1.00 12.11 H new ATOM 345 N ARG A 24 18.730 -27.266 -9.322 1.00 14.54 N ATOM 346 CA ARG A 24 17.724 -26.522 -10.070 1.00 52.33 C ATOM 347 C ARG A 24 16.335 -26.734 -9.474 1.00 43.23 C ATOM 348 O ARG A 24 15.545 -25.796 -9.364 1.00 71.23 O ATOM 349 CB ARG A 24 17.731 -26.949 -11.539 1.00 72.41 C ATOM 350 CG ARG A 24 18.859 -26.331 -12.348 1.00 51.33 C ATOM 351 CD ARG A 24 18.878 -26.861 -13.774 1.00 13.55 C ATOM 352 NE ARG A 24 19.255 -28.270 -13.828 1.00 71.44 N ATOM 353 CZ ARG A 24 18.976 -29.066 -14.855 1.00 23.22 C ATOM 354 NH1 ARG A 24 18.322 -28.593 -15.906 1.00 72.03 N ATOM 355 NH2 ARG A 24 19.353 -30.338 -14.831 1.00 30.31 N ATOM 0 H ARG A 24 19.328 -27.862 -9.895 1.00 14.54 H new ATOM 0 HA ARG A 24 17.970 -25.462 -10.005 1.00 52.33 H new ATOM 0 HB2 ARG A 24 17.810 -28.035 -11.592 1.00 72.41 H new ATOM 0 HB3 ARG A 24 16.778 -26.676 -11.992 1.00 72.41 H new ATOM 0 HG2 ARG A 24 18.746 -25.247 -12.363 1.00 51.33 H new ATOM 0 HG3 ARG A 24 19.813 -26.545 -11.866 1.00 51.33 H new ATOM 0 HD2 ARG A 24 17.893 -26.732 -14.222 1.00 13.55 H new ATOM 0 HD3 ARG A 24 19.578 -26.275 -14.369 1.00 13.55 H new ATOM 0 HE ARG A 24 19.760 -28.665 -13.035 1.00 71.44 H new ATOM 0 HH11 ARG A 24 18.031 -27.616 -15.928 1.00 72.03 H new ATOM 0 HH12 ARG A 24 18.109 -29.206 -16.693 1.00 72.03 H new ATOM 0 HH21 ARG A 24 19.857 -30.705 -14.024 1.00 30.31 H new ATOM 0 HH22 ARG A 24 19.139 -30.948 -15.620 1.00 30.31 H new ATOM 369 N LYS A 25 16.044 -27.972 -9.091 1.00 64.43 N ATOM 370 CA LYS A 25 14.752 -28.309 -8.506 1.00 23.23 C ATOM 371 C LYS A 25 14.422 -27.378 -7.344 1.00 1.42 C ATOM 372 O LYS A 25 13.336 -26.800 -7.288 1.00 1.33 O ATOM 373 CB LYS A 25 14.750 -29.762 -8.025 1.00 23.02 C ATOM 374 CG LYS A 25 13.522 -30.132 -7.212 1.00 11.14 C ATOM 375 CD LYS A 25 12.241 -29.865 -7.984 1.00 12.11 C ATOM 376 CE LYS A 25 11.031 -30.456 -7.277 1.00 74.34 C ATOM 377 NZ LYS A 25 10.623 -29.642 -6.099 1.00 43.32 N ATOM 0 H LYS A 25 16.686 -28.760 -9.175 1.00 64.43 H new ATOM 0 HA LYS A 25 13.990 -28.186 -9.275 1.00 23.23 H new ATOM 0 HB2 LYS A 25 14.815 -30.422 -8.890 1.00 23.02 H new ATOM 0 HB3 LYS A 25 15.641 -29.938 -7.422 1.00 23.02 H new ATOM 0 HG2 LYS A 25 13.570 -31.186 -6.938 1.00 11.14 H new ATOM 0 HG3 LYS A 25 13.514 -29.561 -6.283 1.00 11.14 H new ATOM 0 HD2 LYS A 25 12.105 -28.790 -8.104 1.00 12.11 H new ATOM 0 HD3 LYS A 25 12.323 -30.290 -8.985 1.00 12.11 H new ATOM 0 HE2 LYS A 25 10.199 -30.523 -7.977 1.00 74.34 H new ATOM 0 HE3 LYS A 25 11.259 -31.472 -6.955 1.00 74.34 H new ATOM 0 HZ1 LYS A 25 9.795 -30.079 -5.645 1.00 43.32 H new ATOM 0 HZ2 LYS A 25 11.408 -29.598 -5.418 1.00 43.32 H new ATOM 0 HZ3 LYS A 25 10.380 -28.680 -6.409 1.00 43.32 H new ATOM 391 N HIS A 26 15.366 -27.235 -6.419 1.00 30.13 N ATOM 392 CA HIS A 26 15.175 -26.371 -5.259 1.00 24.41 C ATOM 393 C HIS A 26 15.338 -24.904 -5.642 1.00 41.50 C ATOM 394 O HIS A 26 14.783 -24.016 -4.994 1.00 13.12 O ATOM 395 CB HIS A 26 16.170 -26.736 -4.156 1.00 51.12 C ATOM 396 CG HIS A 26 15.620 -27.696 -3.147 1.00 14.11 C ATOM 397 ND1 HIS A 26 14.362 -27.570 -2.596 1.00 74.24 N ATOM 398 CD2 HIS A 26 16.163 -28.803 -2.590 1.00 25.21 C ATOM 399 CE1 HIS A 26 14.156 -28.558 -1.743 1.00 41.32 C ATOM 400 NE2 HIS A 26 15.234 -29.320 -1.721 1.00 63.41 N ATOM 0 H HIS A 26 16.270 -27.706 -6.450 1.00 30.13 H new ATOM 0 HA HIS A 26 14.161 -26.521 -4.888 1.00 24.41 H new ATOM 0 HB2 HIS A 26 17.061 -27.170 -4.611 1.00 51.12 H new ATOM 0 HB3 HIS A 26 16.484 -25.826 -3.646 1.00 51.12 H new ATOM 0 HD2 HIS A 26 17.145 -29.205 -2.791 1.00 25.21 H new ATOM 0 HE1 HIS A 26 13.259 -28.715 -1.163 1.00 41.32 H new ATOM 0 HE2 HIS A 26 15.357 -30.157 -1.151 1.00 63.41 H new ATOM 408 N THR A 27 16.104 -24.654 -6.700 1.00 22.24 N ATOM 409 CA THR A 27 16.342 -23.295 -7.168 1.00 12.31 C ATOM 410 C THR A 27 15.044 -22.633 -7.616 1.00 13.33 C ATOM 411 O THR A 27 14.927 -21.408 -7.608 1.00 10.31 O ATOM 412 CB THR A 27 17.347 -23.270 -8.335 1.00 53.00 C ATOM 413 OG1 THR A 27 18.599 -23.823 -7.915 1.00 1.30 O ATOM 414 CG2 THR A 27 17.557 -21.850 -8.838 1.00 54.14 C ATOM 0 H THR A 27 16.570 -25.376 -7.249 1.00 22.24 H new ATOM 0 HA THR A 27 16.759 -22.740 -6.328 1.00 12.31 H new ATOM 0 HB THR A 27 16.940 -23.870 -9.149 1.00 53.00 H new ATOM 0 HG1 THR A 27 18.473 -24.760 -7.657 1.00 1.30 H new ATOM 0 HG21 THR A 27 18.271 -21.858 -9.662 1.00 54.14 H new ATOM 0 HG22 THR A 27 16.607 -21.442 -9.184 1.00 54.14 H new ATOM 0 HG23 THR A 27 17.944 -21.231 -8.029 1.00 54.14 H new ATOM 422 N GLN A 28 14.071 -23.451 -8.005 1.00 2.12 N ATOM 423 CA GLN A 28 12.781 -22.943 -8.456 1.00 41.11 C ATOM 424 C GLN A 28 11.889 -22.593 -7.270 1.00 34.32 C ATOM 425 O GLN A 28 11.035 -21.712 -7.362 1.00 1.45 O ATOM 426 CB GLN A 28 12.086 -23.975 -9.346 1.00 11.21 C ATOM 427 CG GLN A 28 10.647 -23.618 -9.681 1.00 34.22 C ATOM 428 CD GLN A 28 9.975 -24.661 -10.552 1.00 54.12 C ATOM 429 OE1 GLN A 28 9.461 -24.351 -11.627 1.00 51.44 O ATOM 430 NE2 GLN A 28 9.975 -25.907 -10.092 1.00 52.42 N ATOM 0 H GLN A 28 14.152 -24.468 -8.017 1.00 2.12 H new ATOM 0 HA GLN A 28 12.958 -22.036 -9.034 1.00 41.11 H new ATOM 0 HB2 GLN A 28 12.650 -24.082 -10.272 1.00 11.21 H new ATOM 0 HB3 GLN A 28 12.105 -24.944 -8.847 1.00 11.21 H new ATOM 0 HG2 GLN A 28 10.081 -23.502 -8.757 1.00 34.22 H new ATOM 0 HG3 GLN A 28 10.625 -22.655 -10.191 1.00 34.22 H new ATOM 0 HE21 GLN A 28 10.413 -26.120 -9.196 1.00 52.42 H new ATOM 0 HE22 GLN A 28 9.537 -26.651 -10.635 1.00 52.42 H new ATOM 439 N ALA A 29 12.092 -23.291 -6.157 1.00 12.20 N ATOM 440 CA ALA A 29 11.307 -23.053 -4.952 1.00 54.22 C ATOM 441 C ALA A 29 11.727 -21.755 -4.270 1.00 64.41 C ATOM 442 O ALA A 29 10.973 -20.784 -4.246 1.00 13.11 O ATOM 443 CB ALA A 29 11.445 -24.225 -3.992 1.00 52.01 C ATOM 0 H ALA A 29 12.793 -24.026 -6.065 1.00 12.20 H new ATOM 0 HA ALA A 29 10.261 -22.957 -5.243 1.00 54.22 H new ATOM 0 HB1 ALA A 29 10.854 -24.034 -3.097 1.00 52.01 H new ATOM 0 HB2 ALA A 29 11.088 -25.135 -4.475 1.00 52.01 H new ATOM 0 HB3 ALA A 29 12.492 -24.348 -3.716 1.00 52.01 H new ATOM 449 N GLU A 30 12.936 -21.748 -3.717 1.00 21.13 N ATOM 450 CA GLU A 30 13.455 -20.569 -3.033 1.00 22.52 C ATOM 451 C GLU A 30 13.656 -19.417 -4.012 1.00 45.32 C ATOM 452 O GLU A 30 13.643 -18.249 -3.625 1.00 20.11 O ATOM 453 CB GLU A 30 14.777 -20.898 -2.336 1.00 3.21 C ATOM 454 CG GLU A 30 15.071 -20.010 -1.138 1.00 73.21 C ATOM 455 CD GLU A 30 14.489 -20.558 0.150 1.00 33.15 C ATOM 456 OE1 GLU A 30 13.339 -21.045 0.123 1.00 1.53 O ATOM 457 OE2 GLU A 30 15.184 -20.500 1.186 1.00 20.34 O ATOM 0 H GLU A 30 13.574 -22.544 -3.729 1.00 21.13 H new ATOM 0 HA GLU A 30 12.724 -20.263 -2.284 1.00 22.52 H new ATOM 0 HB2 GLU A 30 14.757 -21.938 -2.011 1.00 3.21 H new ATOM 0 HB3 GLU A 30 15.590 -20.804 -3.055 1.00 3.21 H new ATOM 0 HG2 GLU A 30 16.150 -19.901 -1.027 1.00 73.21 H new ATOM 0 HG3 GLU A 30 14.667 -19.014 -1.320 1.00 73.21 H new ATOM 464 N GLY A 31 13.844 -19.755 -5.285 1.00 12.54 N ATOM 465 CA GLY A 31 14.046 -18.738 -6.300 1.00 41.30 C ATOM 466 C GLY A 31 12.801 -17.908 -6.546 1.00 25.21 C ATOM 467 O GLY A 31 12.874 -16.821 -7.119 1.00 54.11 O ATOM 0 H GLY A 31 13.860 -20.715 -5.631 1.00 12.54 H new ATOM 0 HA2 GLY A 31 14.862 -18.082 -5.995 1.00 41.30 H new ATOM 0 HA3 GLY A 31 14.351 -19.215 -7.232 1.00 41.30 H new ATOM 471 N LYS A 32 11.655 -18.422 -6.113 1.00 41.12 N ATOM 472 CA LYS A 32 10.388 -17.722 -6.289 1.00 71.41 C ATOM 473 C LYS A 32 10.189 -16.674 -5.199 1.00 43.23 C ATOM 474 O LYS A 32 9.633 -15.604 -5.447 1.00 12.24 O ATOM 475 CB LYS A 32 9.226 -18.718 -6.272 1.00 14.22 C ATOM 476 CG LYS A 32 7.907 -18.121 -6.731 1.00 14.31 C ATOM 477 CD LYS A 32 6.865 -19.198 -6.984 1.00 10.31 C ATOM 478 CE LYS A 32 6.393 -19.833 -5.685 1.00 2.01 C ATOM 479 NZ LYS A 32 5.679 -21.118 -5.923 1.00 54.51 N ATOM 0 H LYS A 32 11.577 -19.321 -5.638 1.00 41.12 H new ATOM 0 HA LYS A 32 10.412 -17.216 -7.254 1.00 71.41 H new ATOM 0 HB2 LYS A 32 9.475 -19.564 -6.912 1.00 14.22 H new ATOM 0 HB3 LYS A 32 9.107 -19.107 -5.261 1.00 14.22 H new ATOM 0 HG2 LYS A 32 7.538 -17.427 -5.976 1.00 14.31 H new ATOM 0 HG3 LYS A 32 8.065 -17.545 -7.643 1.00 14.31 H new ATOM 0 HD2 LYS A 32 6.013 -18.766 -7.509 1.00 10.31 H new ATOM 0 HD3 LYS A 32 7.284 -19.966 -7.634 1.00 10.31 H new ATOM 0 HE2 LYS A 32 7.250 -20.009 -5.034 1.00 2.01 H new ATOM 0 HE3 LYS A 32 5.732 -19.142 -5.162 1.00 2.01 H new ATOM 0 HZ1 LYS A 32 5.373 -21.519 -5.013 1.00 54.51 H new ATOM 0 HZ2 LYS A 32 4.847 -20.947 -6.523 1.00 54.51 H new ATOM 0 HZ3 LYS A 32 6.317 -21.787 -6.399 1.00 54.51 H new ATOM 493 N LYS A 33 10.649 -16.987 -3.993 1.00 11.14 N ATOM 494 CA LYS A 33 10.525 -16.071 -2.865 1.00 32.33 C ATOM 495 C LYS A 33 11.065 -14.690 -3.223 1.00 32.41 C ATOM 496 O LYS A 33 10.585 -13.675 -2.717 1.00 44.32 O ATOM 497 CB LYS A 33 11.272 -16.623 -1.649 1.00 22.14 C ATOM 498 CG LYS A 33 10.769 -16.074 -0.325 1.00 33.42 C ATOM 499 CD LYS A 33 11.353 -16.836 0.853 1.00 61.21 C ATOM 500 CE LYS A 33 10.598 -18.132 1.109 1.00 42.33 C ATOM 501 NZ LYS A 33 11.162 -19.266 0.326 1.00 50.14 N ATOM 0 H LYS A 33 11.111 -17.869 -3.771 1.00 11.14 H new ATOM 0 HA LYS A 33 9.467 -15.976 -2.621 1.00 32.33 H new ATOM 0 HB2 LYS A 33 11.182 -17.709 -1.640 1.00 22.14 H new ATOM 0 HB3 LYS A 33 12.333 -16.392 -1.749 1.00 22.14 H new ATOM 0 HG2 LYS A 33 11.032 -15.019 -0.244 1.00 33.42 H new ATOM 0 HG3 LYS A 33 9.681 -16.134 -0.295 1.00 33.42 H new ATOM 0 HD2 LYS A 33 12.403 -17.057 0.660 1.00 61.21 H new ATOM 0 HD3 LYS A 33 11.318 -16.211 1.745 1.00 61.21 H new ATOM 0 HE2 LYS A 33 10.636 -18.370 2.172 1.00 42.33 H new ATOM 0 HE3 LYS A 33 9.548 -17.998 0.849 1.00 42.33 H new ATOM 0 HZ1 LYS A 33 11.015 -20.154 0.846 1.00 50.14 H new ATOM 0 HZ2 LYS A 33 10.685 -19.322 -0.597 1.00 50.14 H new ATOM 0 HZ3 LYS A 33 12.181 -19.115 0.180 1.00 50.14 H new ATOM 515 N LEU A 34 12.063 -14.660 -4.098 1.00 44.34 N ATOM 516 CA LEU A 34 12.668 -13.403 -4.526 1.00 13.41 C ATOM 517 C LEU A 34 12.756 -13.330 -6.047 1.00 20.41 C ATOM 518 O LEU A 34 13.452 -12.479 -6.599 1.00 30.12 O ATOM 519 CB LEU A 34 14.062 -13.250 -3.915 1.00 32.41 C ATOM 520 CG LEU A 34 14.114 -12.687 -2.494 1.00 42.14 C ATOM 521 CD1 LEU A 34 13.477 -11.307 -2.444 1.00 2.12 C ATOM 522 CD2 LEU A 34 13.424 -13.631 -1.520 1.00 42.24 C ATOM 0 H LEU A 34 12.471 -15.491 -4.525 1.00 44.34 H new ATOM 0 HA LEU A 34 12.034 -12.587 -4.178 1.00 13.41 H new ATOM 0 HB2 LEU A 34 14.546 -14.227 -3.915 1.00 32.41 H new ATOM 0 HB3 LEU A 34 14.652 -12.602 -4.563 1.00 32.41 H new ATOM 0 HG LEU A 34 15.159 -12.594 -2.199 1.00 42.14 H new ATOM 0 HD11 LEU A 34 13.523 -10.922 -1.425 1.00 2.12 H new ATOM 0 HD12 LEU A 34 14.015 -10.634 -3.111 1.00 2.12 H new ATOM 0 HD13 LEU A 34 12.436 -11.375 -2.760 1.00 2.12 H new ATOM 0 HD21 LEU A 34 13.471 -13.214 -0.514 1.00 42.24 H new ATOM 0 HD22 LEU A 34 12.382 -13.757 -1.812 1.00 42.24 H new ATOM 0 HD23 LEU A 34 13.925 -14.599 -1.535 1.00 42.24 H new ATOM 534 N GLY A 35 12.043 -14.229 -6.720 1.00 24.25 N ATOM 535 CA GLY A 35 12.053 -14.249 -8.171 1.00 5.34 C ATOM 536 C GLY A 35 10.725 -14.687 -8.754 1.00 31.22 C ATOM 537 O GLY A 35 10.545 -15.856 -9.099 1.00 42.11 O ATOM 0 H GLY A 35 11.459 -14.944 -6.286 1.00 24.25 H new ATOM 0 HA2 GLY A 35 12.299 -13.255 -8.543 1.00 5.34 H new ATOM 0 HA3 GLY A 35 12.838 -14.922 -8.517 1.00 5.34 H new ATOM 541 N LEU A 36 9.790 -13.750 -8.863 1.00 2.42 N ATOM 542 CA LEU A 36 8.469 -14.045 -9.407 1.00 24.51 C ATOM 543 C LEU A 36 8.581 -14.755 -10.753 1.00 2.24 C ATOM 544 O LEU A 36 7.718 -15.552 -11.120 1.00 53.41 O ATOM 545 CB LEU A 36 7.660 -12.757 -9.562 1.00 51.15 C ATOM 546 CG LEU A 36 6.978 -12.236 -8.297 1.00 54.00 C ATOM 547 CD1 LEU A 36 6.007 -13.271 -7.749 1.00 41.22 C ATOM 548 CD2 LEU A 36 8.014 -11.865 -7.246 1.00 62.43 C ATOM 0 H LEU A 36 9.922 -12.779 -8.582 1.00 2.42 H new ATOM 0 HA LEU A 36 7.955 -14.707 -8.710 1.00 24.51 H new ATOM 0 HB2 LEU A 36 8.323 -11.979 -9.940 1.00 51.15 H new ATOM 0 HB3 LEU A 36 6.896 -12.921 -10.321 1.00 51.15 H new ATOM 0 HG LEU A 36 6.414 -11.339 -8.555 1.00 54.00 H new ATOM 0 HD11 LEU A 36 5.531 -12.883 -6.849 1.00 41.22 H new ATOM 0 HD12 LEU A 36 5.245 -13.487 -8.498 1.00 41.22 H new ATOM 0 HD13 LEU A 36 6.548 -14.186 -7.507 1.00 41.22 H new ATOM 0 HD21 LEU A 36 7.510 -11.496 -6.353 1.00 62.43 H new ATOM 0 HD22 LEU A 36 8.606 -12.745 -6.992 1.00 62.43 H new ATOM 0 HD23 LEU A 36 8.670 -11.088 -7.640 1.00 62.43 H new ATOM 560 N VAL A 37 9.652 -14.461 -11.483 1.00 62.34 N ATOM 561 CA VAL A 37 9.879 -15.073 -12.787 1.00 63.31 C ATOM 562 C VAL A 37 11.368 -15.262 -13.054 1.00 24.35 C ATOM 563 O VAL A 37 12.200 -14.504 -12.556 1.00 30.52 O ATOM 564 CB VAL A 37 9.270 -14.225 -13.919 1.00 41.11 C ATOM 565 CG1 VAL A 37 7.752 -14.326 -13.905 1.00 64.20 C ATOM 566 CG2 VAL A 37 9.717 -12.776 -13.798 1.00 41.11 C ATOM 0 H VAL A 37 10.376 -13.803 -11.194 1.00 62.34 H new ATOM 0 HA VAL A 37 9.389 -16.047 -12.769 1.00 63.31 H new ATOM 0 HB VAL A 37 9.627 -14.613 -14.873 1.00 41.11 H new ATOM 0 HG11 VAL A 37 7.340 -13.720 -14.712 1.00 64.20 H new ATOM 0 HG12 VAL A 37 7.455 -15.366 -14.044 1.00 64.20 H new ATOM 0 HG13 VAL A 37 7.372 -13.965 -12.949 1.00 64.20 H new ATOM 0 HG21 VAL A 37 9.277 -12.191 -14.606 1.00 41.11 H new ATOM 0 HG22 VAL A 37 9.391 -12.373 -12.839 1.00 41.11 H new ATOM 0 HG23 VAL A 37 10.804 -12.724 -13.862 1.00 41.11 H new ATOM 576 N GLY A 38 11.698 -16.280 -13.844 1.00 4.44 N ATOM 577 CA GLY A 38 13.088 -16.550 -14.163 1.00 72.24 C ATOM 578 C GLY A 38 13.294 -17.946 -14.717 1.00 61.11 C ATOM 579 O GLY A 38 12.650 -18.898 -14.275 1.00 41.43 O ATOM 0 H GLY A 38 11.028 -16.922 -14.268 1.00 4.44 H new ATOM 0 HA2 GLY A 38 13.440 -15.818 -14.890 1.00 72.24 H new ATOM 0 HA3 GLY A 38 13.695 -16.425 -13.266 1.00 72.24 H new ATOM 583 N TRP A 39 14.192 -18.069 -15.687 1.00 44.25 N ATOM 584 CA TRP A 39 14.480 -19.359 -16.304 1.00 22.13 C ATOM 585 C TRP A 39 15.894 -19.820 -15.967 1.00 10.01 C ATOM 586 O TRP A 39 16.824 -19.015 -15.917 1.00 23.32 O ATOM 587 CB TRP A 39 14.306 -19.273 -17.821 1.00 4.02 C ATOM 588 CG TRP A 39 15.368 -18.457 -18.495 1.00 33.11 C ATOM 589 CD1 TRP A 39 16.628 -18.865 -18.827 1.00 20.32 C ATOM 590 CD2 TRP A 39 15.261 -17.093 -18.917 1.00 63.21 C ATOM 591 NE1 TRP A 39 17.312 -17.837 -19.430 1.00 35.11 N ATOM 592 CE2 TRP A 39 16.495 -16.740 -19.498 1.00 51.50 C ATOM 593 CE3 TRP A 39 14.244 -16.137 -18.863 1.00 74.11 C ATOM 594 CZ2 TRP A 39 16.736 -15.471 -20.019 1.00 14.24 C ATOM 595 CZ3 TRP A 39 14.484 -14.878 -19.380 1.00 22.32 C ATOM 596 CH2 TRP A 39 15.722 -14.554 -19.952 1.00 74.31 C ATOM 0 H TRP A 39 14.734 -17.291 -16.064 1.00 44.25 H new ATOM 0 HA TRP A 39 13.775 -20.089 -15.906 1.00 22.13 H new ATOM 0 HB2 TRP A 39 14.312 -20.280 -18.238 1.00 4.02 H new ATOM 0 HB3 TRP A 39 13.330 -18.842 -18.044 1.00 4.02 H new ATOM 0 HD1 TRP A 39 17.028 -19.851 -18.643 1.00 20.32 H new ATOM 0 HE1 TRP A 39 18.272 -17.883 -19.771 1.00 35.11 H new ATOM 0 HE3 TRP A 39 13.287 -16.378 -18.425 1.00 74.11 H new ATOM 0 HZ2 TRP A 39 17.689 -15.219 -20.460 1.00 14.24 H new ATOM 0 HZ3 TRP A 39 13.705 -14.131 -19.343 1.00 22.32 H new ATOM 0 HH2 TRP A 39 15.879 -13.561 -20.348 1.00 74.31 H new ATOM 607 N VAL A 40 16.049 -21.120 -15.737 1.00 1.02 N ATOM 608 CA VAL A 40 17.351 -21.688 -15.406 1.00 14.20 C ATOM 609 C VAL A 40 17.863 -22.579 -16.531 1.00 64.15 C ATOM 610 O VAL A 40 17.146 -23.451 -17.021 1.00 50.22 O ATOM 611 CB VAL A 40 17.291 -22.508 -14.103 1.00 54.35 C ATOM 612 CG1 VAL A 40 18.688 -22.927 -13.671 1.00 55.23 C ATOM 613 CG2 VAL A 40 16.600 -21.713 -13.006 1.00 31.05 C ATOM 0 H VAL A 40 15.289 -21.800 -15.774 1.00 1.02 H new ATOM 0 HA VAL A 40 18.036 -20.851 -15.269 1.00 14.20 H new ATOM 0 HB VAL A 40 16.709 -23.411 -14.288 1.00 54.35 H new ATOM 0 HG11 VAL A 40 18.626 -23.505 -12.749 1.00 55.23 H new ATOM 0 HG12 VAL A 40 19.143 -23.537 -14.452 1.00 55.23 H new ATOM 0 HG13 VAL A 40 19.298 -22.040 -13.502 1.00 55.23 H new ATOM 0 HG21 VAL A 40 16.566 -22.307 -12.093 1.00 31.05 H new ATOM 0 HG22 VAL A 40 17.153 -20.793 -12.820 1.00 31.05 H new ATOM 0 HG23 VAL A 40 15.585 -21.469 -13.318 1.00 31.05 H new ATOM 623 N GLN A 41 19.109 -22.354 -16.936 1.00 63.21 N ATOM 624 CA GLN A 41 19.718 -23.138 -18.005 1.00 1.53 C ATOM 625 C GLN A 41 21.138 -23.553 -17.634 1.00 32.31 C ATOM 626 O GLN A 41 21.783 -22.919 -16.801 1.00 11.35 O ATOM 627 CB GLN A 41 19.732 -22.337 -19.308 1.00 44.10 C ATOM 628 CG GLN A 41 18.497 -22.551 -20.167 1.00 53.11 C ATOM 629 CD GLN A 41 18.550 -21.776 -21.469 1.00 73.21 C ATOM 630 OE1 GLN A 41 17.685 -20.944 -21.746 1.00 31.53 O ATOM 631 NE2 GLN A 41 19.568 -22.046 -22.277 1.00 42.54 N ATOM 0 H GLN A 41 19.716 -21.636 -16.541 1.00 63.21 H new ATOM 0 HA GLN A 41 19.121 -24.039 -18.147 1.00 1.53 H new ATOM 0 HB2 GLN A 41 19.821 -21.277 -19.072 1.00 44.10 H new ATOM 0 HB3 GLN A 41 20.616 -22.611 -19.883 1.00 44.10 H new ATOM 0 HG2 GLN A 41 18.391 -23.614 -20.385 1.00 53.11 H new ATOM 0 HG3 GLN A 41 17.612 -22.251 -19.606 1.00 53.11 H new ATOM 0 HE21 GLN A 41 20.262 -22.743 -22.007 1.00 42.54 H new ATOM 0 HE22 GLN A 41 19.656 -21.556 -23.167 1.00 42.54 H new ATOM 640 N ASN A 42 21.618 -24.624 -18.259 1.00 10.44 N ATOM 641 CA ASN A 42 22.962 -25.125 -17.993 1.00 54.23 C ATOM 642 C ASN A 42 23.754 -25.269 -19.289 1.00 21.30 C ATOM 643 O ASN A 42 23.340 -25.976 -20.208 1.00 71.33 O ATOM 644 CB ASN A 42 22.893 -26.472 -17.272 1.00 35.23 C ATOM 645 CG ASN A 42 21.777 -27.354 -17.799 1.00 13.23 C ATOM 646 OD1 ASN A 42 21.503 -27.377 -18.999 1.00 25.42 O ATOM 647 ND2 ASN A 42 21.126 -28.084 -16.901 1.00 32.13 N ATOM 0 H ASN A 42 21.097 -25.161 -18.952 1.00 10.44 H new ATOM 0 HA ASN A 42 23.472 -24.404 -17.354 1.00 54.23 H new ATOM 0 HB2 ASN A 42 23.845 -26.990 -17.384 1.00 35.23 H new ATOM 0 HB3 ASN A 42 22.746 -26.303 -16.205 1.00 35.23 H new ATOM 0 HD21 ASN A 42 20.365 -28.695 -17.196 1.00 32.13 H new ATOM 0 HD22 ASN A 42 21.387 -28.033 -15.916 1.00 32.13 H new ATOM 654 N THR A 43 24.898 -24.594 -19.355 1.00 74.43 N ATOM 655 CA THR A 43 25.748 -24.647 -20.538 1.00 4.55 C ATOM 656 C THR A 43 26.092 -26.086 -20.905 1.00 10.44 C ATOM 657 O THR A 43 25.970 -26.992 -20.081 1.00 74.51 O ATOM 658 CB THR A 43 27.054 -23.857 -20.325 1.00 71.14 C ATOM 659 OG1 THR A 43 27.872 -24.516 -19.352 1.00 40.21 O ATOM 660 CG2 THR A 43 26.759 -22.436 -19.869 1.00 60.14 C ATOM 0 H THR A 43 25.257 -24.005 -18.604 1.00 74.43 H new ATOM 0 HA THR A 43 25.185 -24.193 -21.353 1.00 4.55 H new ATOM 0 HB THR A 43 27.585 -23.813 -21.276 1.00 71.14 H new ATOM 0 HG1 THR A 43 27.353 -24.662 -18.533 1.00 40.21 H new ATOM 0 HG21 THR A 43 27.696 -21.898 -19.725 1.00 60.14 H new ATOM 0 HG22 THR A 43 26.161 -21.928 -20.626 1.00 60.14 H new ATOM 0 HG23 THR A 43 26.208 -22.463 -18.929 1.00 60.14 H new ATOM 668 N ASP A 44 26.523 -26.288 -22.145 1.00 12.02 N ATOM 669 CA ASP A 44 26.886 -27.618 -22.621 1.00 3.35 C ATOM 670 C ASP A 44 27.975 -28.230 -21.744 1.00 50.44 C ATOM 671 O ASP A 44 27.993 -29.439 -21.514 1.00 2.33 O ATOM 672 CB ASP A 44 27.361 -27.551 -24.073 1.00 73.00 C ATOM 673 CG ASP A 44 27.929 -28.870 -24.558 1.00 34.52 C ATOM 674 OD1 ASP A 44 27.136 -29.805 -24.799 1.00 30.21 O ATOM 675 OD2 ASP A 44 29.166 -28.968 -24.697 1.00 34.11 O ATOM 0 H ASP A 44 26.630 -25.548 -22.839 1.00 12.02 H new ATOM 0 HA ASP A 44 26.001 -28.251 -22.566 1.00 3.35 H new ATOM 0 HB2 ASP A 44 26.527 -27.261 -24.712 1.00 73.00 H new ATOM 0 HB3 ASP A 44 28.120 -26.775 -24.168 1.00 73.00 H new ATOM 680 N ARG A 45 28.881 -27.387 -21.260 1.00 41.52 N ATOM 681 CA ARG A 45 29.974 -27.845 -20.412 1.00 4.35 C ATOM 682 C ARG A 45 30.821 -26.669 -19.933 1.00 51.32 C ATOM 683 O ARG A 45 31.773 -26.264 -20.599 1.00 73.14 O ATOM 684 CB ARG A 45 30.852 -28.844 -21.168 1.00 55.23 C ATOM 685 CG ARG A 45 32.128 -29.215 -20.431 1.00 15.14 C ATOM 686 CD ARG A 45 32.617 -30.600 -20.826 1.00 13.44 C ATOM 687 NE ARG A 45 33.959 -30.871 -20.318 1.00 70.23 N ATOM 688 CZ ARG A 45 34.459 -32.094 -20.179 1.00 74.24 C ATOM 689 NH1 ARG A 45 33.731 -33.152 -20.509 1.00 31.54 N ATOM 690 NH2 ARG A 45 35.689 -32.260 -19.711 1.00 32.32 N ATOM 0 H ARG A 45 28.879 -26.383 -21.441 1.00 41.52 H new ATOM 0 HA ARG A 45 29.541 -28.338 -19.541 1.00 4.35 H new ATOM 0 HB2 ARG A 45 30.276 -29.750 -21.358 1.00 55.23 H new ATOM 0 HB3 ARG A 45 31.113 -28.423 -22.139 1.00 55.23 H new ATOM 0 HG2 ARG A 45 32.902 -28.479 -20.648 1.00 15.14 H new ATOM 0 HG3 ARG A 45 31.951 -29.183 -19.356 1.00 15.14 H new ATOM 0 HD2 ARG A 45 31.926 -31.351 -20.444 1.00 13.44 H new ATOM 0 HD3 ARG A 45 32.616 -30.689 -21.912 1.00 13.44 H new ATOM 0 HE ARG A 45 34.544 -30.078 -20.056 1.00 70.23 H new ATOM 0 HH11 ARG A 45 32.785 -33.028 -20.870 1.00 31.54 H new ATOM 0 HH12 ARG A 45 34.117 -34.090 -20.402 1.00 31.54 H new ATOM 0 HH21 ARG A 45 36.252 -31.448 -19.457 1.00 32.32 H new ATOM 0 HH22 ARG A 45 36.072 -33.199 -19.605 1.00 32.32 H new ATOM 704 N GLY A 46 30.466 -26.124 -18.773 1.00 43.22 N ATOM 705 CA GLY A 46 31.203 -25.000 -18.226 1.00 12.51 C ATOM 706 C GLY A 46 30.587 -24.471 -16.946 1.00 13.31 C ATOM 707 O GLY A 46 31.196 -24.543 -15.878 1.00 0.40 O ATOM 0 H GLY A 46 29.682 -26.441 -18.203 1.00 43.22 H new ATOM 0 HA2 GLY A 46 32.232 -25.304 -18.032 1.00 12.51 H new ATOM 0 HA3 GLY A 46 31.241 -24.200 -18.965 1.00 12.51 H new ATOM 711 N THR A 47 29.374 -23.936 -17.051 1.00 43.54 N ATOM 712 CA THR A 47 28.676 -23.390 -15.894 1.00 45.42 C ATOM 713 C THR A 47 27.165 -23.464 -16.078 1.00 41.22 C ATOM 714 O THR A 47 26.677 -23.919 -17.113 1.00 1.13 O ATOM 715 CB THR A 47 29.079 -21.926 -15.634 1.00 44.22 C ATOM 716 OG1 THR A 47 29.081 -21.192 -16.864 1.00 71.31 O ATOM 717 CG2 THR A 47 30.456 -21.849 -14.991 1.00 34.44 C ATOM 0 H THR A 47 28.855 -23.869 -17.926 1.00 43.54 H new ATOM 0 HA THR A 47 28.965 -23.997 -15.036 1.00 45.42 H new ATOM 0 HB THR A 47 28.351 -21.489 -14.951 1.00 44.22 H new ATOM 0 HG1 THR A 47 29.932 -20.715 -16.959 1.00 71.31 H new ATOM 0 HG21 THR A 47 30.719 -20.805 -14.817 1.00 34.44 H new ATOM 0 HG22 THR A 47 30.444 -22.383 -14.041 1.00 34.44 H new ATOM 0 HG23 THR A 47 31.193 -22.303 -15.654 1.00 34.44 H new ATOM 725 N VAL A 48 26.428 -23.013 -15.068 1.00 53.02 N ATOM 726 CA VAL A 48 24.971 -23.027 -15.120 1.00 13.44 C ATOM 727 C VAL A 48 24.407 -21.610 -15.102 1.00 71.31 C ATOM 728 O VAL A 48 24.414 -20.942 -14.069 1.00 31.35 O ATOM 729 CB VAL A 48 24.375 -23.819 -13.941 1.00 31.20 C ATOM 730 CG1 VAL A 48 22.869 -23.963 -14.101 1.00 0.34 C ATOM 731 CG2 VAL A 48 25.039 -25.183 -13.826 1.00 45.23 C ATOM 0 H VAL A 48 26.816 -22.634 -14.204 1.00 53.02 H new ATOM 0 HA VAL A 48 24.692 -23.515 -16.054 1.00 13.44 H new ATOM 0 HB VAL A 48 24.568 -23.267 -13.021 1.00 31.20 H new ATOM 0 HG11 VAL A 48 22.466 -24.525 -13.259 1.00 0.34 H new ATOM 0 HG12 VAL A 48 22.410 -22.975 -14.131 1.00 0.34 H new ATOM 0 HG13 VAL A 48 22.651 -24.492 -15.028 1.00 0.34 H new ATOM 0 HG21 VAL A 48 24.606 -25.729 -12.988 1.00 45.23 H new ATOM 0 HG22 VAL A 48 24.879 -25.744 -14.746 1.00 45.23 H new ATOM 0 HG23 VAL A 48 26.109 -25.054 -13.661 1.00 45.23 H new ATOM 741 N GLN A 49 23.919 -21.159 -16.253 1.00 71.21 N ATOM 742 CA GLN A 49 23.351 -19.821 -16.370 1.00 21.34 C ATOM 743 C GLN A 49 22.016 -19.731 -15.638 1.00 71.11 C ATOM 744 O GLN A 49 21.500 -20.731 -15.141 1.00 23.23 O ATOM 745 CB GLN A 49 23.166 -19.449 -17.842 1.00 32.43 C ATOM 746 CG GLN A 49 22.184 -20.347 -18.577 1.00 71.21 C ATOM 747 CD GLN A 49 21.970 -19.923 -20.017 1.00 4.23 C ATOM 748 OE1 GLN A 49 20.968 -19.288 -20.347 1.00 21.12 O ATOM 749 NE2 GLN A 49 22.914 -20.271 -20.883 1.00 63.52 N ATOM 0 H GLN A 49 23.905 -21.700 -17.117 1.00 71.21 H new ATOM 0 HA GLN A 49 24.045 -19.117 -15.910 1.00 21.34 H new ATOM 0 HB2 GLN A 49 22.821 -18.417 -17.907 1.00 32.43 H new ATOM 0 HB3 GLN A 49 24.133 -19.494 -18.344 1.00 32.43 H new ATOM 0 HG2 GLN A 49 22.550 -21.374 -18.555 1.00 71.21 H new ATOM 0 HG3 GLN A 49 21.228 -20.338 -18.054 1.00 71.21 H new ATOM 0 HE21 GLN A 49 23.728 -20.797 -20.566 1.00 63.52 H new ATOM 0 HE22 GLN A 49 22.825 -20.012 -21.866 1.00 63.52 H new ATOM 758 N GLY A 50 21.461 -18.524 -15.576 1.00 73.43 N ATOM 759 CA GLY A 50 20.190 -18.326 -14.903 1.00 45.11 C ATOM 760 C GLY A 50 19.827 -16.860 -14.772 1.00 32.23 C ATOM 761 O GLY A 50 20.495 -16.110 -14.061 1.00 21.42 O ATOM 0 H GLY A 50 21.868 -17.680 -15.979 1.00 73.43 H new ATOM 0 HA2 GLY A 50 19.405 -18.844 -15.455 1.00 45.11 H new ATOM 0 HA3 GLY A 50 20.233 -18.777 -13.912 1.00 45.11 H new ATOM 765 N GLN A 51 18.766 -16.451 -15.460 1.00 71.41 N ATOM 766 CA GLN A 51 18.317 -15.065 -15.418 1.00 52.24 C ATOM 767 C GLN A 51 17.316 -14.850 -14.288 1.00 22.55 C ATOM 768 O GLN A 51 16.748 -15.806 -13.758 1.00 33.31 O ATOM 769 CB GLN A 51 17.686 -14.670 -16.755 1.00 20.40 C ATOM 770 CG GLN A 51 17.532 -13.169 -16.936 1.00 3.14 C ATOM 771 CD GLN A 51 17.681 -12.737 -18.381 1.00 53.21 C ATOM 772 OE1 GLN A 51 18.530 -13.250 -19.110 1.00 51.24 O ATOM 773 NE2 GLN A 51 16.853 -11.788 -18.804 1.00 30.33 N ATOM 0 H GLN A 51 18.202 -17.060 -16.053 1.00 71.41 H new ATOM 0 HA GLN A 51 19.187 -14.434 -15.233 1.00 52.24 H new ATOM 0 HB2 GLN A 51 18.298 -15.064 -17.566 1.00 20.40 H new ATOM 0 HB3 GLN A 51 16.706 -15.140 -16.837 1.00 20.40 H new ATOM 0 HG2 GLN A 51 16.553 -12.861 -16.568 1.00 3.14 H new ATOM 0 HG3 GLN A 51 18.277 -12.655 -16.329 1.00 3.14 H new ATOM 0 HE21 GLN A 51 16.164 -11.390 -18.165 1.00 30.33 H new ATOM 0 HE22 GLN A 51 16.906 -11.457 -19.767 1.00 30.33 H new ATOM 782 N LEU A 52 17.105 -13.591 -13.922 1.00 5.14 N ATOM 783 CA LEU A 52 16.173 -13.251 -12.853 1.00 0.44 C ATOM 784 C LEU A 52 15.612 -11.845 -13.046 1.00 71.53 C ATOM 785 O LEU A 52 16.349 -10.911 -13.360 1.00 33.03 O ATOM 786 CB LEU A 52 16.866 -13.352 -11.493 1.00 23.22 C ATOM 787 CG LEU A 52 16.145 -12.686 -10.320 1.00 45.25 C ATOM 788 CD1 LEU A 52 14.824 -13.384 -10.040 1.00 22.45 C ATOM 789 CD2 LEU A 52 17.027 -12.690 -9.080 1.00 44.13 C ATOM 0 H LEU A 52 17.567 -12.788 -14.350 1.00 5.14 H new ATOM 0 HA LEU A 52 15.346 -13.961 -12.887 1.00 0.44 H new ATOM 0 HB2 LEU A 52 17.005 -14.407 -11.256 1.00 23.22 H new ATOM 0 HB3 LEU A 52 17.859 -12.911 -11.580 1.00 23.22 H new ATOM 0 HG LEU A 52 15.935 -11.651 -10.588 1.00 45.25 H new ATOM 0 HD11 LEU A 52 14.325 -12.896 -9.202 1.00 22.45 H new ATOM 0 HD12 LEU A 52 14.188 -13.328 -10.924 1.00 22.45 H new ATOM 0 HD13 LEU A 52 15.010 -14.429 -9.793 1.00 22.45 H new ATOM 0 HD21 LEU A 52 16.498 -12.212 -8.256 1.00 44.13 H new ATOM 0 HD22 LEU A 52 17.269 -13.718 -8.809 1.00 44.13 H new ATOM 0 HD23 LEU A 52 17.947 -12.143 -9.286 1.00 44.13 H new ATOM 801 N GLN A 53 14.304 -11.705 -12.856 1.00 1.34 N ATOM 802 CA GLN A 53 13.645 -10.413 -13.008 1.00 41.11 C ATOM 803 C GLN A 53 12.877 -10.041 -11.744 1.00 72.22 C ATOM 804 O GLN A 53 12.274 -10.897 -11.098 1.00 11.12 O ATOM 805 CB GLN A 53 12.696 -10.439 -14.207 1.00 74.41 C ATOM 806 CG GLN A 53 13.339 -10.962 -15.481 1.00 61.23 C ATOM 807 CD GLN A 53 13.171 -12.460 -15.648 1.00 51.41 C ATOM 808 OE1 GLN A 53 12.837 -13.168 -14.698 1.00 21.10 O ATOM 809 NE2 GLN A 53 13.402 -12.950 -16.860 1.00 74.03 N ATOM 0 H GLN A 53 13.680 -12.469 -12.597 1.00 1.34 H new ATOM 0 HA GLN A 53 14.414 -9.659 -13.178 1.00 41.11 H new ATOM 0 HB2 GLN A 53 11.834 -11.060 -13.964 1.00 74.41 H new ATOM 0 HB3 GLN A 53 12.322 -9.431 -14.386 1.00 74.41 H new ATOM 0 HG2 GLN A 53 12.901 -10.453 -16.340 1.00 61.23 H new ATOM 0 HG3 GLN A 53 14.401 -10.718 -15.474 1.00 61.23 H new ATOM 0 HE21 GLN A 53 13.677 -12.326 -17.619 1.00 74.03 H new ATOM 0 HE22 GLN A 53 13.305 -13.951 -17.033 1.00 74.03 H new ATOM 818 N GLY A 54 12.903 -8.758 -11.397 1.00 5.10 N ATOM 819 CA GLY A 54 12.206 -8.296 -10.211 1.00 42.42 C ATOM 820 C GLY A 54 12.742 -6.972 -9.702 1.00 65.31 C ATOM 821 O GLY A 54 13.761 -6.468 -10.175 1.00 2.21 O ATOM 0 H GLY A 54 13.394 -8.030 -11.916 1.00 5.10 H new ATOM 0 HA2 GLY A 54 11.144 -8.193 -10.434 1.00 42.42 H new ATOM 0 HA3 GLY A 54 12.295 -9.047 -9.426 1.00 42.42 H new ATOM 825 N PRO A 55 12.047 -6.387 -8.716 1.00 33.52 N ATOM 826 CA PRO A 55 12.440 -5.106 -8.122 1.00 32.33 C ATOM 827 C PRO A 55 13.713 -5.219 -7.290 1.00 34.44 C ATOM 828 O PRO A 55 13.974 -6.255 -6.676 1.00 43.34 O ATOM 829 CB PRO A 55 11.248 -4.748 -7.230 1.00 61.22 C ATOM 830 CG PRO A 55 10.616 -6.056 -6.900 1.00 12.12 C ATOM 831 CD PRO A 55 10.823 -6.932 -8.104 1.00 70.21 C ATOM 0 HA PRO A 55 12.662 -4.356 -8.881 1.00 32.33 H new ATOM 0 HB2 PRO A 55 11.570 -4.226 -6.329 1.00 61.22 H new ATOM 0 HB3 PRO A 55 10.550 -4.090 -7.747 1.00 61.22 H new ATOM 0 HG2 PRO A 55 11.072 -6.497 -6.014 1.00 12.12 H new ATOM 0 HG3 PRO A 55 9.555 -5.933 -6.685 1.00 12.12 H new ATOM 0 HD2 PRO A 55 10.945 -7.978 -7.824 1.00 70.21 H new ATOM 0 HD3 PRO A 55 9.975 -6.882 -8.788 1.00 70.21 H new ATOM 839 N ILE A 56 14.500 -4.149 -7.272 1.00 72.14 N ATOM 840 CA ILE A 56 15.744 -4.129 -6.514 1.00 2.21 C ATOM 841 C ILE A 56 15.504 -4.497 -5.054 1.00 21.23 C ATOM 842 O ILE A 56 16.372 -5.073 -4.397 1.00 74.34 O ATOM 843 CB ILE A 56 16.420 -2.747 -6.578 1.00 44.53 C ATOM 844 CG1 ILE A 56 17.820 -2.810 -5.963 1.00 70.03 C ATOM 845 CG2 ILE A 56 15.569 -1.707 -5.865 1.00 1.20 C ATOM 846 CD1 ILE A 56 18.746 -1.720 -6.455 1.00 10.42 C ATOM 0 H ILE A 56 14.298 -3.284 -7.774 1.00 72.14 H new ATOM 0 HA ILE A 56 16.403 -4.868 -6.969 1.00 2.21 H new ATOM 0 HB ILE A 56 16.516 -2.455 -7.624 1.00 44.53 H new ATOM 0 HG12 ILE A 56 17.735 -2.741 -4.879 1.00 70.03 H new ATOM 0 HG13 ILE A 56 18.263 -3.780 -6.187 1.00 70.03 H new ATOM 0 HG21 ILE A 56 16.060 -0.736 -5.919 1.00 1.20 H new ATOM 0 HG22 ILE A 56 14.592 -1.646 -6.344 1.00 1.20 H new ATOM 0 HG23 ILE A 56 15.444 -1.993 -4.821 1.00 1.20 H new ATOM 0 HD11 ILE A 56 19.720 -1.827 -5.977 1.00 10.42 H new ATOM 0 HD12 ILE A 56 18.861 -1.801 -7.536 1.00 10.42 H new ATOM 0 HD13 ILE A 56 18.325 -0.746 -6.207 1.00 10.42 H new ATOM 858 N SER A 57 14.320 -4.162 -4.552 1.00 32.33 N ATOM 859 CA SER A 57 13.965 -4.456 -3.168 1.00 64.00 C ATOM 860 C SER A 57 13.978 -5.960 -2.911 1.00 44.15 C ATOM 861 O SER A 57 14.203 -6.408 -1.787 1.00 34.31 O ATOM 862 CB SER A 57 12.585 -3.883 -2.840 1.00 61.23 C ATOM 863 OG SER A 57 12.176 -4.253 -1.535 1.00 4.12 O ATOM 0 H SER A 57 13.590 -3.687 -5.083 1.00 32.33 H new ATOM 0 HA SER A 57 14.708 -3.988 -2.522 1.00 64.00 H new ATOM 0 HB2 SER A 57 12.610 -2.796 -2.922 1.00 61.23 H new ATOM 0 HB3 SER A 57 11.857 -4.241 -3.568 1.00 61.23 H new ATOM 0 HG SER A 57 11.292 -3.873 -1.349 1.00 4.12 H new ATOM 869 N LYS A 58 13.736 -6.735 -3.963 1.00 61.20 N ATOM 870 CA LYS A 58 13.721 -8.189 -3.855 1.00 34.11 C ATOM 871 C LYS A 58 15.012 -8.789 -4.402 1.00 74.34 C ATOM 872 O LYS A 58 15.502 -9.799 -3.897 1.00 72.20 O ATOM 873 CB LYS A 58 12.519 -8.764 -4.608 1.00 32.30 C ATOM 874 CG LYS A 58 11.368 -9.164 -3.701 1.00 74.24 C ATOM 875 CD LYS A 58 10.310 -8.076 -3.631 1.00 15.13 C ATOM 876 CE LYS A 58 10.649 -7.036 -2.574 1.00 43.11 C ATOM 877 NZ LYS A 58 9.455 -6.242 -2.173 1.00 40.01 N ATOM 0 H LYS A 58 13.548 -6.380 -4.900 1.00 61.20 H new ATOM 0 HA LYS A 58 13.639 -8.449 -2.800 1.00 34.11 H new ATOM 0 HB2 LYS A 58 12.164 -8.026 -5.327 1.00 32.30 H new ATOM 0 HB3 LYS A 58 12.841 -9.635 -5.178 1.00 32.30 H new ATOM 0 HG2 LYS A 58 10.919 -10.087 -4.067 1.00 74.24 H new ATOM 0 HG3 LYS A 58 11.747 -9.369 -2.700 1.00 74.24 H new ATOM 0 HD2 LYS A 58 10.220 -7.592 -4.603 1.00 15.13 H new ATOM 0 HD3 LYS A 58 9.342 -8.523 -3.406 1.00 15.13 H new ATOM 0 HE2 LYS A 58 11.066 -7.532 -1.698 1.00 43.11 H new ATOM 0 HE3 LYS A 58 11.418 -6.366 -2.958 1.00 43.11 H new ATOM 0 HZ1 LYS A 58 9.728 -5.545 -1.451 1.00 40.01 H new ATOM 0 HZ2 LYS A 58 9.071 -5.748 -3.004 1.00 40.01 H new ATOM 0 HZ3 LYS A 58 8.730 -6.878 -1.783 1.00 40.01 H new ATOM 891 N VAL A 59 15.559 -8.160 -5.438 1.00 32.42 N ATOM 892 CA VAL A 59 16.795 -8.631 -6.052 1.00 54.11 C ATOM 893 C VAL A 59 17.990 -8.387 -5.138 1.00 61.11 C ATOM 894 O VAL A 59 18.995 -9.095 -5.211 1.00 52.22 O ATOM 895 CB VAL A 59 17.047 -7.940 -7.405 1.00 43.12 C ATOM 896 CG1 VAL A 59 18.348 -8.432 -8.021 1.00 43.52 C ATOM 897 CG2 VAL A 59 15.878 -8.175 -8.350 1.00 23.13 C ATOM 0 H VAL A 59 15.166 -7.323 -5.869 1.00 32.42 H new ATOM 0 HA VAL A 59 16.680 -9.703 -6.215 1.00 54.11 H new ATOM 0 HB VAL A 59 17.136 -6.867 -7.234 1.00 43.12 H new ATOM 0 HG11 VAL A 59 18.510 -7.933 -8.976 1.00 43.52 H new ATOM 0 HG12 VAL A 59 19.176 -8.207 -7.349 1.00 43.52 H new ATOM 0 HG13 VAL A 59 18.291 -9.509 -8.179 1.00 43.52 H new ATOM 0 HG21 VAL A 59 16.074 -7.679 -9.301 1.00 23.13 H new ATOM 0 HG22 VAL A 59 15.755 -9.245 -8.517 1.00 23.13 H new ATOM 0 HG23 VAL A 59 14.967 -7.769 -7.910 1.00 23.13 H new ATOM 907 N ARG A 60 17.874 -7.381 -4.277 1.00 63.32 N ATOM 908 CA ARG A 60 18.946 -7.043 -3.349 1.00 22.24 C ATOM 909 C ARG A 60 19.194 -8.184 -2.366 1.00 43.01 C ATOM 910 O ARG A 60 20.301 -8.344 -1.850 1.00 42.34 O ATOM 911 CB ARG A 60 18.603 -5.763 -2.584 1.00 60.24 C ATOM 912 CG ARG A 60 19.716 -5.285 -1.666 1.00 33.31 C ATOM 913 CD ARG A 60 20.779 -4.515 -2.433 1.00 10.11 C ATOM 914 NE ARG A 60 22.046 -4.463 -1.709 1.00 44.11 N ATOM 915 CZ ARG A 60 22.255 -3.692 -0.648 1.00 5.31 C ATOM 916 NH1 ARG A 60 21.286 -2.912 -0.189 1.00 71.33 N ATOM 917 NH2 ARG A 60 23.436 -3.700 -0.043 1.00 4.41 N ATOM 0 H ARG A 60 17.049 -6.786 -4.203 1.00 63.32 H new ATOM 0 HA ARG A 60 19.855 -6.880 -3.928 1.00 22.24 H new ATOM 0 HB2 ARG A 60 18.369 -4.974 -3.299 1.00 60.24 H new ATOM 0 HB3 ARG A 60 17.704 -5.933 -1.992 1.00 60.24 H new ATOM 0 HG2 ARG A 60 19.297 -4.650 -0.885 1.00 33.31 H new ATOM 0 HG3 ARG A 60 20.173 -6.141 -1.170 1.00 33.31 H new ATOM 0 HD2 ARG A 60 20.936 -4.983 -3.405 1.00 10.11 H new ATOM 0 HD3 ARG A 60 20.427 -3.501 -2.621 1.00 10.11 H new ATOM 0 HE ARG A 60 22.813 -5.051 -2.036 1.00 44.11 H new ATOM 0 HH11 ARG A 60 20.377 -2.903 -0.651 1.00 71.33 H new ATOM 0 HH12 ARG A 60 21.450 -2.321 0.626 1.00 71.33 H new ATOM 0 HH21 ARG A 60 24.184 -4.299 -0.393 1.00 4.41 H new ATOM 0 HH22 ARG A 60 23.596 -3.108 0.772 1.00 4.41 H new ATOM 931 N HIS A 61 18.157 -8.975 -2.111 1.00 14.31 N ATOM 932 CA HIS A 61 18.262 -10.101 -1.190 1.00 51.01 C ATOM 933 C HIS A 61 18.777 -11.344 -1.909 1.00 22.10 C ATOM 934 O HIS A 61 19.389 -12.219 -1.296 1.00 15.43 O ATOM 935 CB HIS A 61 16.904 -10.393 -0.551 1.00 71.22 C ATOM 936 CG HIS A 61 16.674 -9.655 0.732 1.00 63.32 C ATOM 937 ND1 HIS A 61 17.346 -8.498 1.065 1.00 52.12 N ATOM 938 CD2 HIS A 61 15.840 -9.915 1.766 1.00 61.25 C ATOM 939 CE1 HIS A 61 16.936 -8.079 2.249 1.00 52.24 C ATOM 940 NE2 HIS A 61 16.022 -8.921 2.695 1.00 33.13 N ATOM 0 H HIS A 61 17.234 -8.857 -2.529 1.00 14.31 H new ATOM 0 HA HIS A 61 18.973 -9.834 -0.408 1.00 51.01 H new ATOM 0 HB2 HIS A 61 16.116 -10.132 -1.257 1.00 71.22 H new ATOM 0 HB3 HIS A 61 16.822 -11.464 -0.364 1.00 71.22 H new ATOM 0 HD2 HIS A 61 15.158 -10.749 1.845 1.00 61.25 H new ATOM 0 HE1 HIS A 61 17.288 -7.198 2.764 1.00 52.24 H new ATOM 0 HE2 HIS A 61 15.531 -8.845 3.586 1.00 33.13 H new ATOM 948 N MET A 62 18.525 -11.415 -3.212 1.00 23.41 N ATOM 949 CA MET A 62 18.964 -12.552 -4.014 1.00 5.42 C ATOM 950 C MET A 62 20.457 -12.460 -4.314 1.00 23.50 C ATOM 951 O MET A 62 21.164 -13.468 -4.299 1.00 43.44 O ATOM 952 CB MET A 62 18.173 -12.617 -5.321 1.00 74.11 C ATOM 953 CG MET A 62 16.957 -13.527 -5.250 1.00 52.22 C ATOM 954 SD MET A 62 17.305 -15.198 -5.832 1.00 53.53 S ATOM 955 CE MET A 62 16.357 -16.168 -4.662 1.00 41.24 C ATOM 0 H MET A 62 18.020 -10.700 -3.735 1.00 23.41 H new ATOM 0 HA MET A 62 18.781 -13.461 -3.442 1.00 5.42 H new ATOM 0 HB2 MET A 62 17.849 -11.612 -5.591 1.00 74.11 H new ATOM 0 HB3 MET A 62 18.831 -12.965 -6.118 1.00 74.11 H new ATOM 0 HG2 MET A 62 16.601 -13.572 -4.221 1.00 52.22 H new ATOM 0 HG3 MET A 62 16.152 -13.099 -5.847 1.00 52.22 H new ATOM 0 HE1 MET A 62 16.684 -17.207 -4.701 1.00 41.24 H new ATOM 0 HE2 MET A 62 16.511 -15.777 -3.656 1.00 41.24 H new ATOM 0 HE3 MET A 62 15.298 -16.111 -4.915 1.00 41.24 H new ATOM 965 N GLN A 63 20.929 -11.248 -4.586 1.00 12.11 N ATOM 966 CA GLN A 63 22.338 -11.027 -4.890 1.00 75.24 C ATOM 967 C GLN A 63 23.219 -11.434 -3.714 1.00 70.02 C ATOM 968 O GLN A 63 24.348 -11.885 -3.900 1.00 64.45 O ATOM 969 CB GLN A 63 22.581 -9.559 -5.242 1.00 2.54 C ATOM 970 CG GLN A 63 22.142 -8.592 -4.154 1.00 12.12 C ATOM 971 CD GLN A 63 22.421 -7.145 -4.511 1.00 22.32 C ATOM 972 OE1 GLN A 63 23.274 -6.497 -3.903 1.00 33.21 O ATOM 973 NE2 GLN A 63 21.703 -6.630 -5.502 1.00 33.42 N ATOM 0 H GLN A 63 20.357 -10.404 -4.602 1.00 12.11 H new ATOM 0 HA GLN A 63 22.601 -11.647 -5.747 1.00 75.24 H new ATOM 0 HB2 GLN A 63 23.643 -9.412 -5.440 1.00 2.54 H new ATOM 0 HB3 GLN A 63 22.049 -9.322 -6.163 1.00 2.54 H new ATOM 0 HG2 GLN A 63 21.075 -8.718 -3.971 1.00 12.12 H new ATOM 0 HG3 GLN A 63 22.656 -8.839 -3.225 1.00 12.12 H new ATOM 0 HE21 GLN A 63 21.007 -7.203 -5.979 1.00 33.42 H new ATOM 0 HE22 GLN A 63 21.848 -5.661 -5.787 1.00 33.42 H new ATOM 982 N GLU A 64 22.695 -11.270 -2.504 1.00 34.44 N ATOM 983 CA GLU A 64 23.436 -11.620 -1.297 1.00 54.23 C ATOM 984 C GLU A 64 23.029 -13.001 -0.790 1.00 44.42 C ATOM 985 O GLU A 64 23.134 -13.291 0.401 1.00 24.24 O ATOM 986 CB GLU A 64 23.199 -10.574 -0.206 1.00 4.21 C ATOM 987 CG GLU A 64 21.754 -10.491 0.255 1.00 11.20 C ATOM 988 CD GLU A 64 21.612 -10.628 1.759 1.00 42.45 C ATOM 989 OE1 GLU A 64 22.437 -10.040 2.489 1.00 51.43 O ATOM 990 OE2 GLU A 64 20.676 -11.323 2.205 1.00 74.14 O ATOM 0 H GLU A 64 21.761 -10.897 -2.333 1.00 34.44 H new ATOM 0 HA GLU A 64 24.497 -11.642 -1.546 1.00 54.23 H new ATOM 0 HB2 GLU A 64 23.832 -10.805 0.651 1.00 4.21 H new ATOM 0 HB3 GLU A 64 23.510 -9.597 -0.577 1.00 4.21 H new ATOM 0 HG2 GLU A 64 21.330 -9.538 -0.061 1.00 11.20 H new ATOM 0 HG3 GLU A 64 21.175 -11.275 -0.234 1.00 11.20 H new ATOM 997 N TRP A 65 22.565 -13.846 -1.703 1.00 23.21 N ATOM 998 CA TRP A 65 22.142 -15.196 -1.349 1.00 24.54 C ATOM 999 C TRP A 65 22.716 -16.220 -2.322 1.00 43.34 C ATOM 1000 O TRP A 65 23.146 -17.301 -1.920 1.00 25.42 O ATOM 1001 CB TRP A 65 20.616 -15.288 -1.335 1.00 13.33 C ATOM 1002 CG TRP A 65 20.103 -16.592 -0.802 1.00 4.41 C ATOM 1003 CD1 TRP A 65 20.044 -17.783 -1.468 1.00 4.53 C ATOM 1004 CD2 TRP A 65 19.576 -16.835 0.507 1.00 44.31 C ATOM 1005 NE1 TRP A 65 19.512 -18.752 -0.651 1.00 45.55 N ATOM 1006 CE2 TRP A 65 19.218 -18.196 0.565 1.00 10.24 C ATOM 1007 CE3 TRP A 65 19.374 -16.036 1.636 1.00 64.14 C ATOM 1008 CZ2 TRP A 65 18.669 -18.772 1.708 1.00 74.15 C ATOM 1009 CZ3 TRP A 65 18.829 -16.609 2.768 1.00 33.53 C ATOM 1010 CH2 TRP A 65 18.482 -17.967 2.798 1.00 54.30 C ATOM 0 H TRP A 65 22.472 -13.621 -2.693 1.00 23.21 H new ATOM 0 HA TRP A 65 22.521 -15.418 -0.352 1.00 24.54 H new ATOM 0 HB2 TRP A 65 20.216 -14.474 -0.730 1.00 13.33 H new ATOM 0 HB3 TRP A 65 20.242 -15.146 -2.349 1.00 13.33 H new ATOM 0 HD1 TRP A 65 20.368 -17.940 -2.486 1.00 4.53 H new ATOM 0 HE1 TRP A 65 19.361 -19.727 -0.909 1.00 45.55 H new ATOM 0 HE3 TRP A 65 19.639 -14.989 1.623 1.00 64.14 H new ATOM 0 HZ2 TRP A 65 18.400 -19.818 1.733 1.00 74.15 H new ATOM 0 HZ3 TRP A 65 18.667 -16.000 3.645 1.00 33.53 H new ATOM 0 HH2 TRP A 65 18.059 -18.386 3.699 1.00 54.30 H new ATOM 1021 N LEU A 66 22.721 -15.872 -3.605 1.00 35.24 N ATOM 1022 CA LEU A 66 23.243 -16.761 -4.637 1.00 34.44 C ATOM 1023 C LEU A 66 24.767 -16.723 -4.668 1.00 21.41 C ATOM 1024 O LEU A 66 25.401 -17.476 -5.406 1.00 73.54 O ATOM 1025 CB LEU A 66 22.683 -16.370 -6.005 1.00 61.04 C ATOM 1026 CG LEU A 66 21.222 -16.740 -6.264 1.00 63.33 C ATOM 1027 CD1 LEU A 66 20.792 -16.278 -7.648 1.00 34.43 C ATOM 1028 CD2 LEU A 66 21.018 -18.241 -6.113 1.00 54.43 C ATOM 0 H LEU A 66 22.369 -14.981 -3.955 1.00 35.24 H new ATOM 0 HA LEU A 66 22.929 -17.777 -4.400 1.00 34.44 H new ATOM 0 HB2 LEU A 66 22.790 -15.292 -6.124 1.00 61.04 H new ATOM 0 HB3 LEU A 66 23.297 -16.839 -6.774 1.00 61.04 H new ATOM 0 HG LEU A 66 20.601 -16.233 -5.525 1.00 63.33 H new ATOM 0 HD11 LEU A 66 19.750 -16.550 -7.815 1.00 34.43 H new ATOM 0 HD12 LEU A 66 20.901 -15.196 -7.720 1.00 34.43 H new ATOM 0 HD13 LEU A 66 21.417 -16.757 -8.402 1.00 34.43 H new ATOM 0 HD21 LEU A 66 19.973 -18.487 -6.301 1.00 54.43 H new ATOM 0 HD22 LEU A 66 21.649 -18.768 -6.829 1.00 54.43 H new ATOM 0 HD23 LEU A 66 21.286 -18.545 -5.101 1.00 54.43 H new ATOM 1040 N GLU A 67 25.349 -15.843 -3.860 1.00 12.34 N ATOM 1041 CA GLU A 67 26.799 -15.708 -3.794 1.00 63.45 C ATOM 1042 C GLU A 67 27.349 -16.358 -2.528 1.00 5.52 C ATOM 1043 O GLU A 67 28.428 -16.952 -2.538 1.00 41.13 O ATOM 1044 CB GLU A 67 27.200 -14.232 -3.840 1.00 34.35 C ATOM 1045 CG GLU A 67 26.690 -13.427 -2.656 1.00 61.10 C ATOM 1046 CD GLU A 67 27.061 -11.960 -2.746 1.00 2.43 C ATOM 1047 OE1 GLU A 67 27.520 -11.529 -3.825 1.00 32.22 O ATOM 1048 OE2 GLU A 67 26.893 -11.242 -1.738 1.00 5.12 O ATOM 0 H GLU A 67 24.838 -15.213 -3.242 1.00 12.34 H new ATOM 0 HA GLU A 67 27.225 -16.219 -4.658 1.00 63.45 H new ATOM 0 HB2 GLU A 67 28.287 -14.160 -3.877 1.00 34.35 H new ATOM 0 HB3 GLU A 67 26.820 -13.789 -4.761 1.00 34.35 H new ATOM 0 HG2 GLU A 67 25.606 -13.521 -2.597 1.00 61.10 H new ATOM 0 HG3 GLU A 67 27.096 -13.845 -1.735 1.00 61.10 H new ATOM 1055 N THR A 68 26.600 -16.239 -1.436 1.00 5.13 N ATOM 1056 CA THR A 68 27.013 -16.812 -0.160 1.00 55.45 C ATOM 1057 C THR A 68 25.885 -17.623 0.468 1.00 63.24 C ATOM 1058 O THR A 68 25.683 -17.586 1.681 1.00 32.14 O ATOM 1059 CB THR A 68 27.456 -15.718 0.830 1.00 55.14 C ATOM 1060 OG1 THR A 68 27.937 -16.317 2.038 1.00 52.30 O ATOM 1061 CG2 THR A 68 26.303 -14.777 1.148 1.00 63.12 C ATOM 0 H THR A 68 25.705 -15.751 -1.409 1.00 5.13 H new ATOM 0 HA THR A 68 27.858 -17.468 -0.366 1.00 55.45 H new ATOM 0 HB THR A 68 28.257 -15.142 0.367 1.00 55.14 H new ATOM 0 HG1 THR A 68 27.304 -17.002 2.338 1.00 52.30 H new ATOM 0 HG21 THR A 68 26.640 -14.013 1.849 1.00 63.12 H new ATOM 0 HG22 THR A 68 25.958 -14.301 0.230 1.00 63.12 H new ATOM 0 HG23 THR A 68 25.484 -15.342 1.593 1.00 63.12 H new ATOM 1069 N ARG A 69 25.155 -18.356 -0.366 1.00 73.31 N ATOM 1070 CA ARG A 69 24.047 -19.177 0.108 1.00 21.04 C ATOM 1071 C ARG A 69 23.409 -19.948 -1.044 1.00 23.14 C ATOM 1072 O ARG A 69 23.844 -19.845 -2.190 1.00 5.54 O ATOM 1073 CB ARG A 69 22.996 -18.304 0.796 1.00 75.12 C ATOM 1074 CG ARG A 69 22.360 -18.960 2.011 1.00 54.52 C ATOM 1075 CD ARG A 69 22.014 -17.935 3.080 1.00 41.42 C ATOM 1076 NE ARG A 69 23.134 -17.688 3.984 1.00 41.11 N ATOM 1077 CZ ARG A 69 23.581 -18.580 4.860 1.00 24.33 C ATOM 1078 NH1 ARG A 69 23.007 -19.772 4.950 1.00 41.11 N ATOM 1079 NH2 ARG A 69 24.606 -18.282 5.649 1.00 12.51 N ATOM 0 H ARG A 69 25.311 -18.398 -1.373 1.00 73.31 H new ATOM 0 HA ARG A 69 24.441 -19.895 0.828 1.00 21.04 H new ATOM 0 HB2 ARG A 69 23.459 -17.365 1.101 1.00 75.12 H new ATOM 0 HB3 ARG A 69 22.215 -18.056 0.077 1.00 75.12 H new ATOM 0 HG2 ARG A 69 21.457 -19.491 1.709 1.00 54.52 H new ATOM 0 HG3 ARG A 69 23.043 -19.702 2.424 1.00 54.52 H new ATOM 0 HD2 ARG A 69 21.719 -17.000 2.604 1.00 41.42 H new ATOM 0 HD3 ARG A 69 21.156 -18.285 3.653 1.00 41.42 H new ATOM 0 HE ARG A 69 23.598 -16.781 3.940 1.00 41.11 H new ATOM 0 HH11 ARG A 69 22.220 -20.006 4.345 1.00 41.11 H new ATOM 0 HH12 ARG A 69 23.353 -20.455 5.624 1.00 41.11 H new ATOM 0 HH21 ARG A 69 25.051 -17.367 5.583 1.00 12.51 H new ATOM 0 HH22 ARG A 69 24.948 -18.968 6.322 1.00 12.51 H new ATOM 1093 N GLY A 70 22.375 -20.722 -0.730 1.00 31.51 N ATOM 1094 CA GLY A 70 21.695 -21.500 -1.749 1.00 34.21 C ATOM 1095 C GLY A 70 21.525 -22.953 -1.353 1.00 24.55 C ATOM 1096 O GLY A 70 21.014 -23.254 -0.274 1.00 74.22 O ATOM 0 H GLY A 70 21.996 -20.824 0.211 1.00 31.51 H new ATOM 0 HA2 GLY A 70 20.716 -21.062 -1.942 1.00 34.21 H new ATOM 0 HA3 GLY A 70 22.258 -21.444 -2.680 1.00 34.21 H new ATOM 1100 N SER A 71 21.955 -23.858 -2.227 1.00 52.30 N ATOM 1101 CA SER A 71 21.843 -25.288 -1.965 1.00 1.20 C ATOM 1102 C SER A 71 23.091 -25.810 -1.260 1.00 64.13 C ATOM 1103 O SER A 71 24.157 -25.194 -1.292 1.00 11.02 O ATOM 1104 CB SER A 71 21.624 -26.052 -3.272 1.00 44.23 C ATOM 1105 OG SER A 71 22.466 -27.190 -3.345 1.00 15.12 O ATOM 0 H SER A 71 22.384 -23.626 -3.123 1.00 52.30 H new ATOM 0 HA SER A 71 20.985 -25.447 -1.312 1.00 1.20 H new ATOM 0 HB2 SER A 71 20.582 -26.362 -3.345 1.00 44.23 H new ATOM 0 HB3 SER A 71 21.822 -25.395 -4.119 1.00 44.23 H new ATOM 0 HG SER A 71 22.306 -27.662 -4.189 1.00 15.12 H new ATOM 1111 N PRO A 72 22.958 -26.974 -0.608 1.00 21.50 N ATOM 1112 CA PRO A 72 24.064 -27.607 0.117 1.00 42.20 C ATOM 1113 C PRO A 72 25.141 -28.143 -0.821 1.00 15.13 C ATOM 1114 O PRO A 72 26.335 -27.989 -0.564 1.00 51.15 O ATOM 1115 CB PRO A 72 23.386 -28.757 0.866 1.00 40.13 C ATOM 1116 CG PRO A 72 22.173 -29.070 0.060 1.00 71.42 C ATOM 1117 CD PRO A 72 21.717 -27.764 -0.528 1.00 44.44 C ATOM 0 HA PRO A 72 24.580 -26.902 0.769 1.00 42.20 H new ATOM 0 HB2 PRO A 72 24.044 -29.622 0.943 1.00 40.13 H new ATOM 0 HB3 PRO A 72 23.122 -28.466 1.883 1.00 40.13 H new ATOM 0 HG2 PRO A 72 22.401 -29.792 -0.724 1.00 71.42 H new ATOM 0 HG3 PRO A 72 21.394 -29.511 0.682 1.00 71.42 H new ATOM 0 HD2 PRO A 72 21.264 -27.902 -1.510 1.00 44.44 H new ATOM 0 HD3 PRO A 72 20.971 -27.278 0.102 1.00 44.44 H new ATOM 1125 N LYS A 73 24.711 -28.773 -1.909 1.00 14.13 N ATOM 1126 CA LYS A 73 25.637 -29.331 -2.887 1.00 10.13 C ATOM 1127 C LYS A 73 25.841 -28.370 -4.053 1.00 54.43 C ATOM 1128 O LYS A 73 25.955 -28.791 -5.204 1.00 50.13 O ATOM 1129 CB LYS A 73 25.117 -30.674 -3.404 1.00 21.24 C ATOM 1130 CG LYS A 73 25.295 -31.816 -2.417 1.00 43.45 C ATOM 1131 CD LYS A 73 24.161 -31.862 -1.408 1.00 32.43 C ATOM 1132 CE LYS A 73 24.028 -33.242 -0.782 1.00 22.31 C ATOM 1133 NZ LYS A 73 25.240 -33.616 -0.002 1.00 22.33 N ATOM 0 H LYS A 73 23.726 -28.910 -2.136 1.00 14.13 H new ATOM 0 HA LYS A 73 26.597 -29.485 -2.394 1.00 10.13 H new ATOM 0 HB2 LYS A 73 24.059 -30.576 -3.646 1.00 21.24 H new ATOM 0 HB3 LYS A 73 25.634 -30.922 -4.331 1.00 21.24 H new ATOM 0 HG2 LYS A 73 25.341 -32.761 -2.957 1.00 43.45 H new ATOM 0 HG3 LYS A 73 26.244 -31.701 -1.894 1.00 43.45 H new ATOM 0 HD2 LYS A 73 24.337 -31.122 -0.627 1.00 32.43 H new ATOM 0 HD3 LYS A 73 23.225 -31.592 -1.898 1.00 32.43 H new ATOM 0 HE2 LYS A 73 23.155 -33.262 -0.129 1.00 22.31 H new ATOM 0 HE3 LYS A 73 23.857 -33.981 -1.565 1.00 22.31 H new ATOM 0 HZ1 LYS A 73 25.077 -34.524 0.478 1.00 22.33 H new ATOM 0 HZ2 LYS A 73 26.053 -33.704 -0.645 1.00 22.33 H new ATOM 0 HZ3 LYS A 73 25.437 -32.881 0.707 1.00 22.33 H new ATOM 1147 N SER A 74 25.886 -27.077 -3.748 1.00 4.20 N ATOM 1148 CA SER A 74 26.074 -26.056 -4.772 1.00 2.31 C ATOM 1149 C SER A 74 27.236 -25.134 -4.413 1.00 55.40 C ATOM 1150 O SER A 74 27.055 -23.929 -4.235 1.00 55.52 O ATOM 1151 CB SER A 74 24.794 -25.237 -4.947 1.00 35.21 C ATOM 1152 OG SER A 74 24.495 -24.501 -3.774 1.00 14.23 O ATOM 0 H SER A 74 25.795 -26.712 -2.800 1.00 4.20 H new ATOM 0 HA SER A 74 26.307 -26.557 -5.711 1.00 2.31 H new ATOM 0 HB2 SER A 74 24.908 -24.554 -5.789 1.00 35.21 H new ATOM 0 HB3 SER A 74 23.963 -25.901 -5.185 1.00 35.21 H new ATOM 0 HG SER A 74 24.735 -25.031 -2.985 1.00 14.23 H new ATOM 1158 N HIS A 75 28.429 -25.709 -4.308 1.00 62.01 N ATOM 1159 CA HIS A 75 29.622 -24.940 -3.971 1.00 13.21 C ATOM 1160 C HIS A 75 29.778 -23.743 -4.904 1.00 41.02 C ATOM 1161 O HIS A 75 30.149 -23.896 -6.068 1.00 73.25 O ATOM 1162 CB HIS A 75 30.865 -25.827 -4.047 1.00 52.41 C ATOM 1163 CG HIS A 75 32.107 -25.162 -3.539 1.00 41.32 C ATOM 1164 ND1 HIS A 75 33.204 -24.908 -4.335 1.00 63.41 N ATOM 1165 CD2 HIS A 75 32.421 -24.695 -2.308 1.00 65.31 C ATOM 1166 CE1 HIS A 75 34.141 -24.317 -3.615 1.00 55.30 C ATOM 1167 NE2 HIS A 75 33.690 -24.175 -2.381 1.00 63.34 N ATOM 0 H HIS A 75 28.596 -26.705 -4.451 1.00 62.01 H new ATOM 0 HA HIS A 75 29.511 -24.571 -2.951 1.00 13.21 H new ATOM 0 HB2 HIS A 75 30.688 -26.736 -3.472 1.00 52.41 H new ATOM 0 HB3 HIS A 75 31.022 -26.130 -5.082 1.00 52.41 H new ATOM 0 HD2 HIS A 75 31.791 -24.726 -1.431 1.00 65.31 H new ATOM 0 HE1 HIS A 75 35.110 -24.003 -3.974 1.00 55.30 H new ATOM 0 HE2 HIS A 75 34.201 -23.748 -1.608 1.00 63.34 H new ATOM 1175 N ILE A 76 29.493 -22.553 -4.386 1.00 32.32 N ATOM 1176 CA ILE A 76 29.602 -21.331 -5.173 1.00 23.41 C ATOM 1177 C ILE A 76 31.048 -20.850 -5.243 1.00 35.13 C ATOM 1178 O ILE A 76 31.422 -19.881 -4.582 1.00 65.20 O ATOM 1179 CB ILE A 76 28.726 -20.207 -4.591 1.00 51.51 C ATOM 1180 CG1 ILE A 76 27.274 -20.674 -4.468 1.00 0.53 C ATOM 1181 CG2 ILE A 76 28.815 -18.962 -5.461 1.00 44.31 C ATOM 1182 CD1 ILE A 76 26.402 -19.730 -3.670 1.00 55.31 C ATOM 0 H ILE A 76 29.185 -22.409 -3.424 1.00 32.32 H new ATOM 0 HA ILE A 76 29.252 -21.570 -6.177 1.00 23.41 H new ATOM 0 HB ILE A 76 29.094 -19.958 -3.596 1.00 51.51 H new ATOM 0 HG12 ILE A 76 26.852 -20.789 -5.466 1.00 0.53 H new ATOM 0 HG13 ILE A 76 27.256 -21.658 -3.998 1.00 0.53 H new ATOM 0 HG21 ILE A 76 28.190 -18.176 -5.037 1.00 44.31 H new ATOM 0 HG22 ILE A 76 29.849 -18.621 -5.503 1.00 44.31 H new ATOM 0 HG23 ILE A 76 28.469 -19.196 -6.468 1.00 44.31 H new ATOM 0 HD11 ILE A 76 25.387 -20.124 -3.624 1.00 55.31 H new ATOM 0 HD12 ILE A 76 26.800 -19.633 -2.660 1.00 55.31 H new ATOM 0 HD13 ILE A 76 26.390 -18.752 -4.151 1.00 55.31 H new ATOM 1194 N ASP A 77 31.854 -21.532 -6.048 1.00 60.13 N ATOM 1195 CA ASP A 77 33.258 -21.173 -6.207 1.00 44.45 C ATOM 1196 C ASP A 77 33.398 -19.765 -6.778 1.00 53.23 C ATOM 1197 O ASP A 77 34.299 -19.016 -6.400 1.00 61.24 O ATOM 1198 CB ASP A 77 33.964 -22.178 -7.119 1.00 21.03 C ATOM 1199 CG ASP A 77 35.454 -22.255 -6.851 1.00 64.12 C ATOM 1200 OD1 ASP A 77 35.991 -21.325 -6.215 1.00 4.40 O ATOM 1201 OD2 ASP A 77 36.084 -23.245 -7.279 1.00 31.50 O ATOM 0 H ASP A 77 31.559 -22.337 -6.601 1.00 60.13 H new ATOM 0 HA ASP A 77 33.726 -21.195 -5.223 1.00 44.45 H new ATOM 0 HB2 ASP A 77 33.521 -23.164 -6.980 1.00 21.03 H new ATOM 0 HB3 ASP A 77 33.799 -21.899 -8.160 1.00 21.03 H new ATOM 1206 N LYS A 78 32.500 -19.411 -7.692 1.00 11.24 N ATOM 1207 CA LYS A 78 32.521 -18.093 -8.316 1.00 23.14 C ATOM 1208 C LYS A 78 31.114 -17.652 -8.704 1.00 73.32 C ATOM 1209 O LYS A 78 30.509 -18.210 -9.620 1.00 2.23 O ATOM 1210 CB LYS A 78 33.423 -18.106 -9.552 1.00 73.32 C ATOM 1211 CG LYS A 78 34.889 -18.341 -9.234 1.00 1.35 C ATOM 1212 CD LYS A 78 35.478 -17.187 -8.439 1.00 22.44 C ATOM 1213 CE LYS A 78 36.954 -17.409 -8.146 1.00 44.43 C ATOM 1214 NZ LYS A 78 37.476 -16.430 -7.152 1.00 53.25 N ATOM 0 H LYS A 78 31.748 -20.019 -8.017 1.00 11.24 H new ATOM 0 HA LYS A 78 32.918 -17.382 -7.592 1.00 23.14 H new ATOM 0 HB2 LYS A 78 33.079 -18.884 -10.234 1.00 73.32 H new ATOM 0 HB3 LYS A 78 33.322 -17.155 -10.075 1.00 73.32 H new ATOM 0 HG2 LYS A 78 34.996 -19.266 -8.668 1.00 1.35 H new ATOM 0 HG3 LYS A 78 35.448 -18.468 -10.161 1.00 1.35 H new ATOM 0 HD2 LYS A 78 35.352 -16.258 -8.996 1.00 22.44 H new ATOM 0 HD3 LYS A 78 34.933 -17.073 -7.502 1.00 22.44 H new ATOM 0 HE2 LYS A 78 37.101 -18.422 -7.770 1.00 44.43 H new ATOM 0 HE3 LYS A 78 37.524 -17.326 -9.071 1.00 44.43 H new ATOM 0 HZ1 LYS A 78 38.485 -16.615 -6.980 1.00 53.25 H new ATOM 0 HZ2 LYS A 78 37.359 -15.465 -7.521 1.00 53.25 H new ATOM 0 HZ3 LYS A 78 36.949 -16.526 -6.260 1.00 53.25 H new ATOM 1228 N ALA A 79 30.598 -16.648 -8.003 1.00 45.42 N ATOM 1229 CA ALA A 79 29.264 -16.130 -8.278 1.00 12.03 C ATOM 1230 C ALA A 79 29.328 -14.706 -8.818 1.00 52.44 C ATOM 1231 O ALA A 79 29.537 -13.755 -8.066 1.00 65.11 O ATOM 1232 CB ALA A 79 28.409 -16.181 -7.020 1.00 71.21 C ATOM 0 H ALA A 79 31.084 -16.177 -7.240 1.00 45.42 H new ATOM 0 HA ALA A 79 28.807 -16.760 -9.041 1.00 12.03 H new ATOM 0 HB1 ALA A 79 27.415 -15.791 -7.240 1.00 71.21 H new ATOM 0 HB2 ALA A 79 28.327 -17.213 -6.678 1.00 71.21 H new ATOM 0 HB3 ALA A 79 28.872 -15.576 -6.241 1.00 71.21 H new ATOM 1238 N ASN A 80 29.146 -14.566 -10.128 1.00 5.14 N ATOM 1239 CA ASN A 80 29.185 -13.257 -10.769 1.00 41.32 C ATOM 1240 C ASN A 80 27.789 -12.824 -11.206 1.00 51.33 C ATOM 1241 O ASN A 80 26.832 -13.594 -11.118 1.00 3.44 O ATOM 1242 CB ASN A 80 30.124 -13.285 -11.977 1.00 31.01 C ATOM 1243 CG ASN A 80 29.547 -14.069 -13.140 1.00 32.24 C ATOM 1244 OD1 ASN A 80 28.963 -15.137 -12.954 1.00 12.13 O ATOM 1245 ND2 ASN A 80 29.709 -13.541 -14.347 1.00 74.44 N ATOM 0 H ASN A 80 28.970 -15.343 -10.765 1.00 5.14 H new ATOM 0 HA ASN A 80 29.560 -12.535 -10.043 1.00 41.32 H new ATOM 0 HB2 ASN A 80 30.330 -12.264 -12.297 1.00 31.01 H new ATOM 0 HB3 ASN A 80 31.077 -13.725 -11.683 1.00 31.01 H new ATOM 0 HD21 ASN A 80 29.343 -14.023 -15.168 1.00 74.44 H new ATOM 0 HD22 ASN A 80 30.200 -12.653 -14.454 1.00 74.44 H new ATOM 1252 N PHE A 81 27.680 -11.587 -11.679 1.00 0.50 N ATOM 1253 CA PHE A 81 26.401 -11.050 -12.130 1.00 21.31 C ATOM 1254 C PHE A 81 26.523 -10.458 -13.531 1.00 4.33 C ATOM 1255 O PHE A 81 27.617 -10.376 -14.088 1.00 50.31 O ATOM 1256 CB PHE A 81 25.899 -9.984 -11.155 1.00 10.53 C ATOM 1257 CG PHE A 81 26.940 -8.962 -10.795 1.00 71.14 C ATOM 1258 CD1 PHE A 81 27.259 -7.940 -11.675 1.00 21.02 C ATOM 1259 CD2 PHE A 81 27.599 -9.024 -9.578 1.00 51.31 C ATOM 1260 CE1 PHE A 81 28.217 -6.999 -11.347 1.00 22.52 C ATOM 1261 CE2 PHE A 81 28.558 -8.086 -9.244 1.00 54.45 C ATOM 1262 CZ PHE A 81 28.866 -7.072 -10.130 1.00 3.42 C ATOM 0 H PHE A 81 28.462 -10.937 -11.760 1.00 0.50 H new ATOM 0 HA PHE A 81 25.683 -11.869 -12.163 1.00 21.31 H new ATOM 0 HB2 PHE A 81 25.040 -9.477 -11.595 1.00 10.53 H new ATOM 0 HB3 PHE A 81 25.550 -10.471 -10.245 1.00 10.53 H new ATOM 0 HD1 PHE A 81 26.754 -7.878 -12.627 1.00 21.02 H new ATOM 0 HD2 PHE A 81 27.361 -9.815 -8.882 1.00 51.31 H new ATOM 0 HE1 PHE A 81 28.458 -6.208 -12.041 1.00 22.52 H new ATOM 0 HE2 PHE A 81 29.065 -8.146 -8.292 1.00 54.45 H new ATOM 0 HZ PHE A 81 29.614 -6.337 -9.871 1.00 3.42 H new ATOM 1272 N ASN A 82 25.392 -10.046 -14.094 1.00 32.44 N ATOM 1273 CA ASN A 82 25.371 -9.462 -15.430 1.00 31.33 C ATOM 1274 C ASN A 82 25.029 -7.977 -15.369 1.00 4.43 C ATOM 1275 O ASN A 82 24.791 -7.428 -14.294 1.00 33.02 O ATOM 1276 CB ASN A 82 24.358 -10.194 -16.313 1.00 44.01 C ATOM 1277 CG ASN A 82 24.765 -10.201 -17.774 1.00 73.41 C ATOM 1278 OD1 ASN A 82 24.267 -9.407 -18.572 1.00 73.54 O ATOM 1279 ND2 ASN A 82 25.674 -11.101 -18.131 1.00 32.33 N ATOM 0 H ASN A 82 24.478 -10.106 -13.646 1.00 32.44 H new ATOM 0 HA ASN A 82 26.366 -9.570 -15.863 1.00 31.33 H new ATOM 0 HB2 ASN A 82 24.250 -11.221 -15.964 1.00 44.01 H new ATOM 0 HB3 ASN A 82 23.382 -9.719 -16.213 1.00 44.01 H new ATOM 0 HD21 ASN A 82 25.986 -11.154 -19.101 1.00 32.33 H new ATOM 0 HD22 ASN A 82 26.060 -11.740 -17.436 1.00 32.33 H new ATOM 1286 N ASN A 83 25.008 -7.332 -16.531 1.00 12.23 N ATOM 1287 CA ASN A 83 24.695 -5.909 -16.610 1.00 24.42 C ATOM 1288 C ASN A 83 23.246 -5.648 -16.212 1.00 11.12 C ATOM 1289 O ASN A 83 22.349 -5.662 -17.054 1.00 40.11 O ATOM 1290 CB ASN A 83 24.949 -5.388 -18.026 1.00 22.23 C ATOM 1291 CG ASN A 83 26.364 -5.662 -18.497 1.00 43.25 C ATOM 1292 OD1 ASN A 83 27.288 -5.773 -17.692 1.00 24.42 O ATOM 1293 ND2 ASN A 83 26.540 -5.771 -19.809 1.00 52.32 N ATOM 0 H ASN A 83 25.204 -7.771 -17.430 1.00 12.23 H new ATOM 0 HA ASN A 83 25.345 -5.380 -15.913 1.00 24.42 H new ATOM 0 HB2 ASN A 83 24.243 -5.854 -18.714 1.00 22.23 H new ATOM 0 HB3 ASN A 83 24.761 -4.315 -18.055 1.00 22.23 H new ATOM 0 HD21 ASN A 83 27.470 -5.954 -20.185 1.00 52.32 H new ATOM 0 HD22 ASN A 83 25.745 -5.672 -20.440 1.00 52.32 H new ATOM 1300 N GLU A 84 23.026 -5.409 -14.923 1.00 33.13 N ATOM 1301 CA GLU A 84 21.685 -5.145 -14.414 1.00 1.43 C ATOM 1302 C GLU A 84 21.065 -3.940 -15.115 1.00 53.31 C ATOM 1303 O GLU A 84 21.718 -2.914 -15.307 1.00 11.23 O ATOM 1304 CB GLU A 84 21.727 -4.903 -12.903 1.00 64.33 C ATOM 1305 CG GLU A 84 20.359 -4.672 -12.285 1.00 74.43 C ATOM 1306 CD GLU A 84 20.408 -3.743 -11.088 1.00 43.13 C ATOM 1307 OE1 GLU A 84 21.171 -4.034 -10.143 1.00 32.30 O ATOM 1308 OE2 GLU A 84 19.685 -2.725 -11.096 1.00 43.04 O ATOM 0 H GLU A 84 23.758 -5.393 -14.213 1.00 33.13 H new ATOM 0 HA GLU A 84 21.068 -6.020 -14.618 1.00 1.43 H new ATOM 0 HB2 GLU A 84 22.195 -5.761 -12.419 1.00 64.33 H new ATOM 0 HB3 GLU A 84 22.359 -4.038 -12.700 1.00 64.33 H new ATOM 0 HG2 GLU A 84 19.691 -4.254 -13.038 1.00 74.43 H new ATOM 0 HG3 GLU A 84 19.936 -5.629 -11.980 1.00 74.43 H new ATOM 1315 N LYS A 85 19.799 -4.072 -15.497 1.00 11.11 N ATOM 1316 CA LYS A 85 19.088 -2.996 -16.177 1.00 11.44 C ATOM 1317 C LYS A 85 17.749 -2.716 -15.501 1.00 4.14 C ATOM 1318 O LYS A 85 17.385 -3.374 -14.526 1.00 5.44 O ATOM 1319 CB LYS A 85 18.863 -3.354 -17.647 1.00 64.04 C ATOM 1320 CG LYS A 85 17.828 -4.446 -17.856 1.00 42.32 C ATOM 1321 CD LYS A 85 17.549 -4.674 -19.332 1.00 72.22 C ATOM 1322 CE LYS A 85 16.535 -5.789 -19.542 1.00 10.44 C ATOM 1323 NZ LYS A 85 16.148 -5.925 -20.973 1.00 41.21 N ATOM 0 H LYS A 85 19.244 -4.915 -15.347 1.00 11.11 H new ATOM 0 HA LYS A 85 19.701 -2.096 -16.118 1.00 11.44 H new ATOM 0 HB2 LYS A 85 18.549 -2.460 -18.186 1.00 64.04 H new ATOM 0 HB3 LYS A 85 19.809 -3.674 -18.083 1.00 64.04 H new ATOM 0 HG2 LYS A 85 18.180 -5.373 -17.404 1.00 42.32 H new ATOM 0 HG3 LYS A 85 16.903 -4.174 -17.348 1.00 42.32 H new ATOM 0 HD2 LYS A 85 17.176 -3.753 -19.779 1.00 72.22 H new ATOM 0 HD3 LYS A 85 18.478 -4.924 -19.845 1.00 72.22 H new ATOM 0 HE2 LYS A 85 16.953 -6.731 -19.188 1.00 10.44 H new ATOM 0 HE3 LYS A 85 15.647 -5.589 -18.943 1.00 10.44 H new ATOM 0 HZ1 LYS A 85 15.456 -6.695 -21.074 1.00 41.21 H new ATOM 0 HZ2 LYS A 85 15.726 -5.034 -21.305 1.00 41.21 H new ATOM 0 HZ3 LYS A 85 16.992 -6.141 -21.542 1.00 41.21 H new ATOM 1337 N VAL A 86 17.020 -1.737 -16.026 1.00 15.34 N ATOM 1338 CA VAL A 86 15.720 -1.372 -15.474 1.00 50.04 C ATOM 1339 C VAL A 86 14.621 -1.510 -16.521 1.00 75.14 C ATOM 1340 O VAL A 86 14.834 -1.228 -17.701 1.00 11.21 O ATOM 1341 CB VAL A 86 15.723 0.071 -14.937 1.00 4.42 C ATOM 1342 CG1 VAL A 86 16.560 0.168 -13.670 1.00 60.41 C ATOM 1343 CG2 VAL A 86 16.235 1.034 -15.998 1.00 63.51 C ATOM 0 H VAL A 86 17.307 -1.182 -16.832 1.00 15.34 H new ATOM 0 HA VAL A 86 15.522 -2.058 -14.650 1.00 50.04 H new ATOM 0 HB VAL A 86 14.699 0.350 -14.690 1.00 4.42 H new ATOM 0 HG11 VAL A 86 16.550 1.195 -13.305 1.00 60.41 H new ATOM 0 HG12 VAL A 86 16.145 -0.492 -12.908 1.00 60.41 H new ATOM 0 HG13 VAL A 86 17.586 -0.130 -13.888 1.00 60.41 H new ATOM 0 HG21 VAL A 86 16.230 2.049 -15.601 1.00 63.51 H new ATOM 0 HG22 VAL A 86 17.252 0.759 -16.279 1.00 63.51 H new ATOM 0 HG23 VAL A 86 15.590 0.985 -16.876 1.00 63.51 H new ATOM 1353 N ILE A 87 13.444 -1.945 -16.082 1.00 64.45 N ATOM 1354 CA ILE A 87 12.311 -2.119 -16.982 1.00 34.32 C ATOM 1355 C ILE A 87 11.002 -1.743 -16.296 1.00 11.52 C ATOM 1356 O ILE A 87 10.981 -1.427 -15.105 1.00 54.24 O ATOM 1357 CB ILE A 87 12.212 -3.570 -17.489 1.00 40.04 C ATOM 1358 CG1 ILE A 87 12.064 -4.536 -16.312 1.00 60.34 C ATOM 1359 CG2 ILE A 87 13.435 -3.924 -18.322 1.00 22.11 C ATOM 1360 CD1 ILE A 87 13.386 -4.991 -15.734 1.00 73.33 C ATOM 0 H ILE A 87 13.251 -2.183 -15.109 1.00 64.45 H new ATOM 0 HA ILE A 87 12.478 -1.456 -17.831 1.00 34.32 H new ATOM 0 HB ILE A 87 11.328 -3.659 -18.120 1.00 40.04 H new ATOM 0 HG12 ILE A 87 11.481 -4.054 -15.528 1.00 60.34 H new ATOM 0 HG13 ILE A 87 11.499 -5.409 -16.638 1.00 60.34 H new ATOM 0 HG21 ILE A 87 13.351 -4.952 -18.673 1.00 22.11 H new ATOM 0 HG22 ILE A 87 13.499 -3.252 -19.178 1.00 22.11 H new ATOM 0 HG23 ILE A 87 14.333 -3.821 -17.712 1.00 22.11 H new ATOM 0 HD11 ILE A 87 13.204 -5.673 -14.904 1.00 73.33 H new ATOM 0 HD12 ILE A 87 13.963 -5.502 -16.504 1.00 73.33 H new ATOM 0 HD13 ILE A 87 13.944 -4.126 -15.377 1.00 73.33 H new ATOM 1372 N LEU A 88 9.911 -1.779 -17.053 1.00 64.44 N ATOM 1373 CA LEU A 88 8.596 -1.444 -16.518 1.00 44.34 C ATOM 1374 C LEU A 88 8.074 -2.558 -15.617 1.00 64.12 C ATOM 1375 O LEU A 88 7.814 -2.343 -14.433 1.00 61.51 O ATOM 1376 CB LEU A 88 7.609 -1.190 -17.659 1.00 63.43 C ATOM 1377 CG LEU A 88 8.025 -0.134 -18.684 1.00 74.30 C ATOM 1378 CD1 LEU A 88 6.929 0.064 -19.720 1.00 63.44 C ATOM 1379 CD2 LEU A 88 8.350 1.181 -17.992 1.00 5.20 C ATOM 0 H LEU A 88 9.911 -2.037 -18.040 1.00 64.44 H new ATOM 0 HA LEU A 88 8.694 -0.537 -15.922 1.00 44.34 H new ATOM 0 HB2 LEU A 88 7.441 -2.131 -18.184 1.00 63.43 H new ATOM 0 HB3 LEU A 88 6.654 -0.892 -17.227 1.00 63.43 H new ATOM 0 HG LEU A 88 8.922 -0.484 -19.195 1.00 74.30 H new ATOM 0 HD11 LEU A 88 7.242 0.819 -20.441 1.00 63.44 H new ATOM 0 HD12 LEU A 88 6.743 -0.877 -20.237 1.00 63.44 H new ATOM 0 HD13 LEU A 88 6.015 0.392 -19.225 1.00 63.44 H new ATOM 0 HD21 LEU A 88 8.644 1.921 -18.736 1.00 5.20 H new ATOM 0 HD22 LEU A 88 7.471 1.536 -17.455 1.00 5.20 H new ATOM 0 HD23 LEU A 88 9.168 1.029 -17.288 1.00 5.20 H new ATOM 1391 N LYS A 89 7.926 -3.750 -16.185 1.00 35.21 N ATOM 1392 CA LYS A 89 7.438 -4.901 -15.433 1.00 43.42 C ATOM 1393 C LYS A 89 8.297 -6.131 -15.705 1.00 24.52 C ATOM 1394 O LYS A 89 9.320 -6.049 -16.386 1.00 63.11 O ATOM 1395 CB LYS A 89 5.981 -5.193 -15.796 1.00 54.22 C ATOM 1396 CG LYS A 89 5.034 -4.048 -15.479 1.00 73.41 C ATOM 1397 CD LYS A 89 3.589 -4.516 -15.436 1.00 54.02 C ATOM 1398 CE LYS A 89 2.621 -3.350 -15.574 1.00 23.25 C ATOM 1399 NZ LYS A 89 2.545 -2.855 -16.976 1.00 1.12 N ATOM 0 H LYS A 89 8.137 -3.945 -17.164 1.00 35.21 H new ATOM 0 HA LYS A 89 7.500 -4.663 -14.371 1.00 43.42 H new ATOM 0 HB2 LYS A 89 5.919 -5.421 -16.860 1.00 54.22 H new ATOM 0 HB3 LYS A 89 5.653 -6.084 -15.260 1.00 54.22 H new ATOM 0 HG2 LYS A 89 5.303 -3.607 -14.519 1.00 73.41 H new ATOM 0 HG3 LYS A 89 5.142 -3.266 -16.231 1.00 73.41 H new ATOM 0 HD2 LYS A 89 3.414 -5.233 -16.238 1.00 54.02 H new ATOM 0 HD3 LYS A 89 3.402 -5.037 -14.497 1.00 54.02 H new ATOM 0 HE2 LYS A 89 1.629 -3.660 -15.244 1.00 23.25 H new ATOM 0 HE3 LYS A 89 2.935 -2.538 -14.919 1.00 23.25 H new ATOM 0 HZ1 LYS A 89 1.758 -2.180 -17.064 1.00 1.12 H new ATOM 0 HZ2 LYS A 89 3.437 -2.382 -17.226 1.00 1.12 H new ATOM 0 HZ3 LYS A 89 2.387 -3.657 -17.619 1.00 1.12 H new ATOM 1413 N LEU A 90 7.875 -7.272 -15.170 1.00 3.44 N ATOM 1414 CA LEU A 90 8.605 -8.521 -15.356 1.00 5.23 C ATOM 1415 C LEU A 90 8.876 -8.778 -16.835 1.00 30.24 C ATOM 1416 O LEU A 90 8.337 -8.092 -17.703 1.00 60.01 O ATOM 1417 CB LEU A 90 7.818 -9.688 -14.759 1.00 21.53 C ATOM 1418 CG LEU A 90 7.620 -9.659 -13.243 1.00 21.22 C ATOM 1419 CD1 LEU A 90 6.851 -10.887 -12.781 1.00 72.21 C ATOM 1420 CD2 LEU A 90 8.962 -9.570 -12.531 1.00 42.32 C ATOM 0 H LEU A 90 7.031 -7.358 -14.604 1.00 3.44 H new ATOM 0 HA LEU A 90 9.561 -8.435 -14.840 1.00 5.23 H new ATOM 0 HB2 LEU A 90 6.837 -9.718 -15.233 1.00 21.53 H new ATOM 0 HB3 LEU A 90 8.327 -10.615 -15.021 1.00 21.53 H new ATOM 0 HG LEU A 90 7.037 -8.774 -12.990 1.00 21.22 H new ATOM 0 HD11 LEU A 90 6.720 -10.849 -11.700 1.00 72.21 H new ATOM 0 HD12 LEU A 90 5.874 -10.908 -13.264 1.00 72.21 H new ATOM 0 HD13 LEU A 90 7.407 -11.786 -13.047 1.00 72.21 H new ATOM 0 HD21 LEU A 90 8.801 -9.550 -11.453 1.00 42.32 H new ATOM 0 HD22 LEU A 90 9.570 -10.436 -12.792 1.00 42.32 H new ATOM 0 HD23 LEU A 90 9.477 -8.660 -12.838 1.00 42.32 H new ATOM 1432 N ASP A 91 9.712 -9.772 -17.113 1.00 61.14 N ATOM 1433 CA ASP A 91 10.052 -10.123 -18.487 1.00 52.15 C ATOM 1434 C ASP A 91 9.414 -11.451 -18.883 1.00 14.11 C ATOM 1435 O ASP A 91 9.101 -11.677 -20.052 1.00 64.42 O ATOM 1436 CB ASP A 91 11.570 -10.202 -18.656 1.00 31.32 C ATOM 1437 CG ASP A 91 11.986 -10.328 -20.108 1.00 75.13 C ATOM 1438 OD1 ASP A 91 11.128 -10.116 -20.992 1.00 23.23 O ATOM 1439 OD2 ASP A 91 13.168 -10.638 -20.362 1.00 3.32 O ATOM 0 H ASP A 91 10.167 -10.349 -16.405 1.00 61.14 H new ATOM 0 HA ASP A 91 9.662 -9.344 -19.141 1.00 52.15 H new ATOM 0 HB2 ASP A 91 12.027 -9.311 -18.226 1.00 31.32 H new ATOM 0 HB3 ASP A 91 11.951 -11.057 -18.097 1.00 31.32 H new ATOM 1444 N TYR A 92 9.224 -12.325 -17.901 1.00 73.53 N ATOM 1445 CA TYR A 92 8.626 -13.633 -18.147 1.00 42.42 C ATOM 1446 C TYR A 92 7.198 -13.688 -17.613 1.00 41.12 C ATOM 1447 O TYR A 92 6.644 -12.676 -17.185 1.00 0.34 O ATOM 1448 CB TYR A 92 9.468 -14.732 -17.498 1.00 3.02 C ATOM 1449 CG TYR A 92 9.910 -15.807 -18.465 1.00 30.34 C ATOM 1450 CD1 TYR A 92 10.865 -15.543 -19.438 1.00 65.34 C ATOM 1451 CD2 TYR A 92 9.371 -17.087 -18.405 1.00 44.43 C ATOM 1452 CE1 TYR A 92 11.272 -16.522 -20.324 1.00 73.35 C ATOM 1453 CE2 TYR A 92 9.773 -18.072 -19.286 1.00 73.12 C ATOM 1454 CZ TYR A 92 10.723 -17.785 -20.244 1.00 72.10 C ATOM 1455 OH TYR A 92 11.124 -18.764 -21.124 1.00 41.33 O ATOM 0 H TYR A 92 9.475 -12.152 -16.928 1.00 73.53 H new ATOM 0 HA TYR A 92 8.598 -13.795 -19.225 1.00 42.42 H new ATOM 0 HB2 TYR A 92 10.349 -14.281 -17.041 1.00 3.02 H new ATOM 0 HB3 TYR A 92 8.893 -15.192 -16.694 1.00 3.02 H new ATOM 0 HD1 TYR A 92 11.297 -14.555 -19.503 1.00 65.34 H new ATOM 0 HD2 TYR A 92 8.626 -17.315 -17.657 1.00 44.43 H new ATOM 0 HE1 TYR A 92 12.016 -16.300 -21.075 1.00 73.35 H new ATOM 0 HE2 TYR A 92 9.346 -19.062 -19.225 1.00 73.12 H new ATOM 0 HH TYR A 92 10.641 -19.595 -20.931 1.00 41.33 H new ATOM 1465 N SER A 93 6.608 -14.879 -17.642 1.00 43.30 N ATOM 1466 CA SER A 93 5.244 -15.068 -17.164 1.00 54.52 C ATOM 1467 C SER A 93 5.221 -15.952 -15.921 1.00 73.24 C ATOM 1468 O SER A 93 4.291 -15.888 -15.117 1.00 75.24 O ATOM 1469 CB SER A 93 4.378 -15.688 -18.262 1.00 74.30 C ATOM 1470 OG SER A 93 3.036 -15.835 -17.831 1.00 74.22 O ATOM 0 H SER A 93 7.054 -15.727 -17.992 1.00 43.30 H new ATOM 0 HA SER A 93 4.839 -14.091 -16.900 1.00 54.52 H new ATOM 0 HB2 SER A 93 4.411 -15.061 -19.153 1.00 74.30 H new ATOM 0 HB3 SER A 93 4.782 -16.661 -18.542 1.00 74.30 H new ATOM 0 HG SER A 93 2.503 -16.232 -18.551 1.00 74.22 H new ATOM 1476 N ASP A 94 6.251 -16.777 -15.771 1.00 71.35 N ATOM 1477 CA ASP A 94 6.351 -17.675 -14.627 1.00 22.13 C ATOM 1478 C ASP A 94 7.705 -18.377 -14.604 1.00 23.14 C ATOM 1479 O ASP A 94 8.216 -18.797 -15.642 1.00 23.41 O ATOM 1480 CB ASP A 94 5.226 -18.711 -14.664 1.00 4.12 C ATOM 1481 CG ASP A 94 4.530 -18.858 -13.325 1.00 42.21 C ATOM 1482 OD1 ASP A 94 3.904 -17.877 -12.872 1.00 23.24 O ATOM 1483 OD2 ASP A 94 4.612 -19.953 -12.730 1.00 61.13 O ATOM 0 H ASP A 94 7.029 -16.842 -16.428 1.00 71.35 H new ATOM 0 HA ASP A 94 6.255 -17.079 -13.719 1.00 22.13 H new ATOM 0 HB2 ASP A 94 4.496 -18.423 -15.420 1.00 4.12 H new ATOM 0 HB3 ASP A 94 5.634 -19.676 -14.966 1.00 4.12 H new ATOM 1488 N PHE A 95 8.282 -18.500 -13.413 1.00 3.33 N ATOM 1489 CA PHE A 95 9.578 -19.149 -13.254 1.00 45.14 C ATOM 1490 C PHE A 95 9.508 -20.614 -13.676 1.00 43.44 C ATOM 1491 O PHE A 95 8.665 -21.369 -13.194 1.00 54.35 O ATOM 1492 CB PHE A 95 10.050 -19.047 -11.802 1.00 53.13 C ATOM 1493 CG PHE A 95 11.491 -19.425 -11.612 1.00 11.32 C ATOM 1494 CD1 PHE A 95 11.881 -20.754 -11.632 1.00 32.14 C ATOM 1495 CD2 PHE A 95 12.456 -18.450 -11.412 1.00 74.34 C ATOM 1496 CE1 PHE A 95 13.206 -21.105 -11.457 1.00 62.20 C ATOM 1497 CE2 PHE A 95 13.782 -18.795 -11.238 1.00 25.43 C ATOM 1498 CZ PHE A 95 14.158 -20.124 -11.259 1.00 21.42 C ATOM 0 H PHE A 95 7.872 -18.159 -12.544 1.00 3.33 H new ATOM 0 HA PHE A 95 10.293 -18.637 -13.898 1.00 45.14 H new ATOM 0 HB2 PHE A 95 9.901 -18.026 -11.451 1.00 53.13 H new ATOM 0 HB3 PHE A 95 9.429 -19.692 -11.180 1.00 53.13 H new ATOM 0 HD1 PHE A 95 11.141 -21.525 -11.786 1.00 32.14 H new ATOM 0 HD2 PHE A 95 12.168 -17.409 -11.392 1.00 74.34 H new ATOM 0 HE1 PHE A 95 13.497 -22.145 -11.475 1.00 62.20 H new ATOM 0 HE2 PHE A 95 14.525 -18.026 -11.086 1.00 25.43 H new ATOM 0 HZ PHE A 95 15.194 -20.395 -11.121 1.00 21.42 H new ATOM 1508 N GLN A 96 10.401 -21.006 -14.580 1.00 32.33 N ATOM 1509 CA GLN A 96 10.439 -22.380 -15.068 1.00 4.32 C ATOM 1510 C GLN A 96 11.874 -22.892 -15.139 1.00 21.25 C ATOM 1511 O GLN A 96 12.806 -22.124 -15.379 1.00 23.34 O ATOM 1512 CB GLN A 96 9.784 -22.472 -16.447 1.00 12.23 C ATOM 1513 CG GLN A 96 9.907 -23.844 -17.089 1.00 23.33 C ATOM 1514 CD GLN A 96 8.735 -24.174 -17.992 1.00 3.30 C ATOM 1515 OE1 GLN A 96 8.670 -23.718 -19.134 1.00 73.31 O ATOM 1516 NE2 GLN A 96 7.801 -24.969 -17.484 1.00 64.40 N ATOM 0 H GLN A 96 11.106 -20.393 -14.988 1.00 32.33 H new ATOM 0 HA GLN A 96 9.884 -23.004 -14.367 1.00 4.32 H new ATOM 0 HB2 GLN A 96 8.728 -22.216 -16.356 1.00 12.23 H new ATOM 0 HB3 GLN A 96 10.237 -21.730 -17.105 1.00 12.23 H new ATOM 0 HG2 GLN A 96 10.830 -23.889 -17.667 1.00 23.33 H new ATOM 0 HG3 GLN A 96 9.983 -24.601 -16.308 1.00 23.33 H new ATOM 0 HE21 GLN A 96 7.896 -25.324 -16.532 1.00 64.40 H new ATOM 0 HE22 GLN A 96 6.989 -25.225 -18.045 1.00 64.40 H new ATOM 1525 N ILE A 97 12.043 -24.193 -14.928 1.00 25.12 N ATOM 1526 CA ILE A 97 13.365 -24.807 -14.969 1.00 33.45 C ATOM 1527 C ILE A 97 13.640 -25.428 -16.334 1.00 24.12 C ATOM 1528 O ILE A 97 13.094 -26.478 -16.672 1.00 65.40 O ATOM 1529 CB ILE A 97 13.515 -25.891 -13.885 1.00 3.05 C ATOM 1530 CG1 ILE A 97 13.196 -25.311 -12.505 1.00 65.10 C ATOM 1531 CG2 ILE A 97 14.921 -26.472 -13.909 1.00 20.43 C ATOM 1532 CD1 ILE A 97 13.075 -26.360 -11.422 1.00 73.10 C ATOM 0 H ILE A 97 11.282 -24.842 -14.727 1.00 25.12 H new ATOM 0 HA ILE A 97 14.088 -24.013 -14.781 1.00 33.45 H new ATOM 0 HB ILE A 97 12.807 -26.693 -14.093 1.00 3.05 H new ATOM 0 HG12 ILE A 97 13.977 -24.603 -12.228 1.00 65.10 H new ATOM 0 HG13 ILE A 97 12.263 -24.750 -12.562 1.00 65.10 H new ATOM 0 HG21 ILE A 97 15.012 -27.237 -13.138 1.00 20.43 H new ATOM 0 HG22 ILE A 97 15.114 -26.917 -14.885 1.00 20.43 H new ATOM 0 HG23 ILE A 97 15.645 -25.679 -13.721 1.00 20.43 H new ATOM 0 HD11 ILE A 97 12.848 -25.877 -10.471 1.00 73.10 H new ATOM 0 HD12 ILE A 97 12.275 -27.055 -11.676 1.00 73.10 H new ATOM 0 HD13 ILE A 97 14.015 -26.905 -11.337 1.00 73.10 H new ATOM 1544 N VAL A 98 14.493 -24.772 -17.115 1.00 21.23 N ATOM 1545 CA VAL A 98 14.845 -25.261 -18.443 1.00 15.23 C ATOM 1546 C VAL A 98 16.026 -26.223 -18.380 1.00 13.54 C ATOM 1547 O VAL A 98 16.945 -26.043 -17.581 1.00 2.02 O ATOM 1548 CB VAL A 98 15.192 -24.100 -19.394 1.00 32.20 C ATOM 1549 CG1 VAL A 98 15.366 -24.609 -20.817 1.00 35.53 C ATOM 1550 CG2 VAL A 98 14.120 -23.022 -19.332 1.00 23.21 C ATOM 0 H VAL A 98 14.953 -23.901 -16.851 1.00 21.23 H new ATOM 0 HA VAL A 98 13.972 -25.788 -18.828 1.00 15.23 H new ATOM 0 HB VAL A 98 16.136 -23.660 -19.073 1.00 32.20 H new ATOM 0 HG11 VAL A 98 15.611 -23.775 -21.474 1.00 35.53 H new ATOM 0 HG12 VAL A 98 16.172 -25.342 -20.845 1.00 35.53 H new ATOM 0 HG13 VAL A 98 14.440 -25.076 -21.152 1.00 35.53 H new ATOM 0 HG21 VAL A 98 14.381 -22.210 -20.010 1.00 23.21 H new ATOM 0 HG22 VAL A 98 13.160 -23.446 -19.627 1.00 23.21 H new ATOM 0 HG23 VAL A 98 14.050 -22.637 -18.315 1.00 23.21 H new ATOM 1560 N LYS A 99 15.995 -27.245 -19.228 1.00 1.22 N ATOM 1561 CA LYS A 99 17.064 -28.236 -19.271 1.00 53.13 C ATOM 1562 C LYS A 99 18.396 -27.584 -19.628 1.00 71.32 C ATOM 1563 O LYS A 99 18.595 -27.135 -20.757 1.00 5.20 O ATOM 1564 CB LYS A 99 16.731 -29.331 -20.287 1.00 51.35 C ATOM 1565 CG LYS A 99 17.684 -30.512 -20.242 1.00 60.45 C ATOM 1566 CD LYS A 99 17.347 -31.541 -21.309 1.00 25.21 C ATOM 1567 CE LYS A 99 17.726 -31.049 -22.697 1.00 60.04 C ATOM 1568 NZ LYS A 99 17.142 -31.904 -23.767 1.00 61.43 N ATOM 0 H LYS A 99 15.241 -27.409 -19.895 1.00 1.22 H new ATOM 0 HA LYS A 99 17.152 -28.682 -18.281 1.00 53.13 H new ATOM 0 HB2 LYS A 99 15.717 -29.686 -20.106 1.00 51.35 H new ATOM 0 HB3 LYS A 99 16.745 -28.902 -21.289 1.00 51.35 H new ATOM 0 HG2 LYS A 99 18.706 -30.161 -20.383 1.00 60.45 H new ATOM 0 HG3 LYS A 99 17.640 -30.979 -19.258 1.00 60.45 H new ATOM 0 HD2 LYS A 99 17.872 -32.472 -21.096 1.00 25.21 H new ATOM 0 HD3 LYS A 99 16.280 -31.762 -21.279 1.00 25.21 H new ATOM 0 HE2 LYS A 99 17.383 -30.022 -22.825 1.00 60.04 H new ATOM 0 HE3 LYS A 99 18.812 -31.037 -22.794 1.00 60.04 H new ATOM 0 HZ1 LYS A 99 17.423 -31.536 -24.698 1.00 61.43 H new ATOM 0 HZ2 LYS A 99 17.489 -32.879 -23.661 1.00 61.43 H new ATOM 0 HZ3 LYS A 99 16.105 -31.896 -23.691 1.00 61.43 H new TER 1582 LYS A 99