USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -90:sc= 1.03 USER MOD Set 1.2: A 71 SER OG : rot -76:sc= 1.16 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -148:sc= -0.311 (180deg=-0.877) USER MOD Set 2.2: A 37 SER OG : rot 137:sc= 0.0603 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0258 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.5) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.11) USER MOD Single : A 13 ASN : amide:sc= 0.416 K(o=0.42,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.059 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.567 K(o=-0.57,f=-3!) USER MOD Single : A 38 SER OG : rot 35:sc= 0.995 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.151 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.549 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -76:sc= 0.0758 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0364 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0712 X(o=-0.071,f=-0.0054) USER MOD Single : A 78 SER OG : rot -60:sc= 0.723 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.468 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.057 -1.445 4.840 1.00 44.42 N ATOM 2 CA MET A 1 5.112 -1.872 3.815 1.00 51.31 C ATOM 3 C MET A 1 5.813 -2.062 2.474 1.00 42.23 C ATOM 4 O MET A 1 6.732 -1.318 2.132 1.00 30.35 O ATOM 5 CB MET A 1 3.984 -0.848 3.673 1.00 33.21 C ATOM 6 CG MET A 1 2.998 -0.866 4.830 1.00 4.35 C ATOM 7 SD MET A 1 2.820 0.748 5.615 1.00 73.10 S ATOM 8 CE MET A 1 1.236 0.555 6.430 1.00 64.31 C ATOM 0 H1 MET A 1 6.241 -2.233 5.493 1.00 44.42 H new ATOM 0 H2 MET A 1 6.948 -1.153 4.391 1.00 44.42 H new ATOM 0 H3 MET A 1 5.657 -0.644 5.369 1.00 44.42 H new ATOM 0 HA MET A 1 4.689 -2.828 4.122 1.00 51.31 H new ATOM 0 HB2 MET A 1 4.417 0.149 3.591 1.00 33.21 H new ATOM 0 HB3 MET A 1 3.446 -1.039 2.745 1.00 33.21 H new ATOM 0 HG2 MET A 1 2.025 -1.199 4.468 1.00 4.35 H new ATOM 0 HG3 MET A 1 3.328 -1.593 5.572 1.00 4.35 H new ATOM 0 HE1 MET A 1 0.986 1.473 6.961 1.00 64.31 H new ATOM 0 HE2 MET A 1 0.467 0.345 5.686 1.00 64.31 H new ATOM 0 HE3 MET A 1 1.290 -0.271 7.139 1.00 64.31 H new ATOM 18 N ASN A 2 5.374 -3.063 1.718 1.00 54.33 N ATOM 19 CA ASN A 2 5.960 -3.351 0.414 1.00 44.41 C ATOM 20 C ASN A 2 4.915 -3.925 -0.538 1.00 45.41 C ATOM 21 O ASN A 2 3.803 -4.254 -0.129 1.00 33.21 O ATOM 22 CB ASN A 2 7.126 -4.331 0.561 1.00 13.02 C ATOM 23 CG ASN A 2 8.356 -3.680 1.163 1.00 21.34 C ATOM 24 OD1 ASN A 2 8.425 -3.457 2.372 1.00 1.31 O ATOM 25 ND2 ASN A 2 9.335 -3.373 0.320 1.00 0.25 N ATOM 0 H ASN A 2 4.614 -3.688 1.986 1.00 54.33 H new ATOM 0 HA ASN A 2 6.331 -2.415 -0.004 1.00 44.41 H new ATOM 0 HB2 ASN A 2 6.817 -5.167 1.188 1.00 13.02 H new ATOM 0 HB3 ASN A 2 7.377 -4.742 -0.417 1.00 13.02 H new ATOM 0 HD21 ASN A 2 10.188 -2.934 0.667 1.00 0.25 H new ATOM 0 HD22 ASN A 2 9.234 -3.576 -0.674 1.00 0.25 H new ATOM 32 N ALA A 3 5.283 -4.042 -1.810 1.00 54.40 N ATOM 33 CA ALA A 3 4.379 -4.578 -2.820 1.00 33.22 C ATOM 34 C ALA A 3 5.147 -5.049 -4.050 1.00 40.41 C ATOM 35 O ALA A 3 5.627 -4.237 -4.841 1.00 61.53 O ATOM 36 CB ALA A 3 3.343 -3.534 -3.209 1.00 50.23 C ATOM 0 H ALA A 3 6.201 -3.773 -2.165 1.00 54.40 H new ATOM 0 HA ALA A 3 3.867 -5.440 -2.393 1.00 33.22 H new ATOM 0 HB1 ALA A 3 2.675 -3.948 -3.964 1.00 50.23 H new ATOM 0 HB2 ALA A 3 2.765 -3.250 -2.330 1.00 50.23 H new ATOM 0 HB3 ALA A 3 3.846 -2.655 -3.612 1.00 50.23 H new ATOM 42 N ALA A 4 5.260 -6.364 -4.204 1.00 40.33 N ATOM 43 CA ALA A 4 5.969 -6.942 -5.339 1.00 41.32 C ATOM 44 C ALA A 4 5.590 -8.406 -5.535 1.00 45.33 C ATOM 45 O ALA A 4 5.573 -9.184 -4.583 1.00 30.25 O ATOM 46 CB ALA A 4 7.472 -6.804 -5.148 1.00 23.32 C ATOM 0 H ALA A 4 4.870 -7.049 -3.557 1.00 40.33 H new ATOM 0 HA ALA A 4 5.677 -6.395 -6.236 1.00 41.32 H new ATOM 0 HB1 ALA A 4 7.989 -7.240 -6.003 1.00 23.32 H new ATOM 0 HB2 ALA A 4 7.733 -5.749 -5.065 1.00 23.32 H new ATOM 0 HB3 ALA A 4 7.772 -7.324 -4.239 1.00 23.32 H new ATOM 52 N GLU A 5 5.287 -8.773 -6.777 1.00 4.24 N ATOM 53 CA GLU A 5 4.907 -10.144 -7.096 1.00 5.12 C ATOM 54 C GLU A 5 6.137 -10.988 -7.420 1.00 51.31 C ATOM 55 O GLU A 5 6.832 -10.739 -8.406 1.00 32.44 O ATOM 56 CB GLU A 5 3.935 -10.165 -8.277 1.00 34.44 C ATOM 57 CG GLU A 5 4.459 -9.450 -9.510 1.00 52.41 C ATOM 58 CD GLU A 5 4.624 -10.378 -10.697 1.00 64.43 C ATOM 59 OE1 GLU A 5 5.672 -11.053 -10.780 1.00 61.12 O ATOM 60 OE2 GLU A 5 3.707 -10.430 -11.543 1.00 63.41 O ATOM 0 H GLU A 5 5.297 -8.141 -7.577 1.00 4.24 H new ATOM 0 HA GLU A 5 4.415 -10.571 -6.222 1.00 5.12 H new ATOM 0 HB2 GLU A 5 3.713 -11.200 -8.535 1.00 34.44 H new ATOM 0 HB3 GLU A 5 2.996 -9.704 -7.972 1.00 34.44 H new ATOM 0 HG2 GLU A 5 3.775 -8.644 -9.776 1.00 52.41 H new ATOM 0 HG3 GLU A 5 5.419 -8.989 -9.278 1.00 52.41 H new ATOM 67 N VAL A 6 6.400 -11.986 -6.583 1.00 74.41 N ATOM 68 CA VAL A 6 7.544 -12.868 -6.780 1.00 2.21 C ATOM 69 C VAL A 6 7.095 -14.280 -7.140 1.00 43.50 C ATOM 70 O VAL A 6 6.138 -14.802 -6.568 1.00 51.13 O ATOM 71 CB VAL A 6 8.429 -12.928 -5.521 1.00 3.12 C ATOM 72 CG1 VAL A 6 8.695 -11.528 -4.988 1.00 24.44 C ATOM 73 CG2 VAL A 6 7.781 -13.799 -4.455 1.00 60.04 C ATOM 0 H VAL A 6 5.836 -12.204 -5.762 1.00 74.41 H new ATOM 0 HA VAL A 6 8.124 -12.454 -7.604 1.00 2.21 H new ATOM 0 HB VAL A 6 9.385 -13.376 -5.791 1.00 3.12 H new ATOM 0 HG11 VAL A 6 9.322 -11.590 -4.098 1.00 24.44 H new ATOM 0 HG12 VAL A 6 9.205 -10.939 -5.751 1.00 24.44 H new ATOM 0 HG13 VAL A 6 7.749 -11.050 -4.733 1.00 24.44 H new ATOM 0 HG21 VAL A 6 8.420 -13.830 -3.573 1.00 60.04 H new ATOM 0 HG22 VAL A 6 6.810 -13.383 -4.186 1.00 60.04 H new ATOM 0 HG23 VAL A 6 7.648 -14.809 -4.842 1.00 60.04 H new ATOM 83 N ILE A 7 7.793 -14.892 -8.091 1.00 11.23 N ATOM 84 CA ILE A 7 7.467 -16.244 -8.526 1.00 31.20 C ATOM 85 C ILE A 7 8.475 -17.253 -7.987 1.00 31.34 C ATOM 86 O ILE A 7 9.635 -17.268 -8.397 1.00 64.13 O ATOM 87 CB ILE A 7 7.426 -16.347 -10.062 1.00 44.21 C ATOM 88 CG1 ILE A 7 7.312 -17.810 -10.494 1.00 61.14 C ATOM 89 CG2 ILE A 7 8.665 -15.705 -10.669 1.00 2.24 C ATOM 90 CD1 ILE A 7 6.129 -18.530 -9.885 1.00 4.42 C ATOM 0 H ILE A 7 8.587 -14.473 -8.575 1.00 11.23 H new ATOM 0 HA ILE A 7 6.478 -16.473 -8.128 1.00 31.20 H new ATOM 0 HB ILE A 7 6.548 -15.811 -10.424 1.00 44.21 H new ATOM 0 HG12 ILE A 7 7.234 -17.855 -11.580 1.00 61.14 H new ATOM 0 HG13 ILE A 7 8.227 -18.334 -10.218 1.00 61.14 H new ATOM 0 HG21 ILE A 7 8.622 -15.786 -11.755 1.00 2.24 H new ATOM 0 HG22 ILE A 7 8.706 -14.654 -10.385 1.00 2.24 H new ATOM 0 HG23 ILE A 7 9.556 -16.215 -10.303 1.00 2.24 H new ATOM 0 HD11 ILE A 7 6.111 -19.562 -10.236 1.00 4.42 H new ATOM 0 HD12 ILE A 7 6.215 -18.517 -8.798 1.00 4.42 H new ATOM 0 HD13 ILE A 7 5.207 -18.030 -10.182 1.00 4.42 H new ATOM 102 N VAL A 8 8.023 -18.098 -7.065 1.00 3.44 N ATOM 103 CA VAL A 8 8.885 -19.113 -6.470 1.00 75.04 C ATOM 104 C VAL A 8 8.213 -20.481 -6.487 1.00 33.53 C ATOM 105 O VAL A 8 7.004 -20.589 -6.698 1.00 25.03 O ATOM 106 CB VAL A 8 9.258 -18.754 -5.020 1.00 13.31 C ATOM 107 CG1 VAL A 8 9.643 -17.286 -4.915 1.00 52.13 C ATOM 108 CG2 VAL A 8 8.109 -19.080 -4.078 1.00 75.31 C ATOM 0 H VAL A 8 7.065 -18.100 -6.714 1.00 3.44 H new ATOM 0 HA VAL A 8 9.793 -19.149 -7.071 1.00 75.04 H new ATOM 0 HB VAL A 8 10.120 -19.353 -4.727 1.00 13.31 H new ATOM 0 HG11 VAL A 8 9.903 -17.051 -3.883 1.00 52.13 H new ATOM 0 HG12 VAL A 8 10.499 -17.087 -5.559 1.00 52.13 H new ATOM 0 HG13 VAL A 8 8.803 -16.666 -5.227 1.00 52.13 H new ATOM 0 HG21 VAL A 8 8.390 -18.820 -3.058 1.00 75.31 H new ATOM 0 HG22 VAL A 8 7.227 -18.509 -4.368 1.00 75.31 H new ATOM 0 HG23 VAL A 8 7.885 -20.145 -4.132 1.00 75.31 H new ATOM 118 N TYR A 9 9.003 -21.525 -6.262 1.00 63.03 N ATOM 119 CA TYR A 9 8.486 -22.888 -6.253 1.00 33.10 C ATOM 120 C TYR A 9 8.664 -23.529 -4.880 1.00 73.10 C ATOM 121 O TYR A 9 9.669 -23.308 -4.206 1.00 0.41 O ATOM 122 CB TYR A 9 9.191 -23.731 -7.317 1.00 54.00 C ATOM 123 CG TYR A 9 8.738 -23.428 -8.727 1.00 73.24 C ATOM 124 CD1 TYR A 9 8.840 -22.145 -9.250 1.00 51.22 C ATOM 125 CD2 TYR A 9 8.207 -24.425 -9.537 1.00 13.31 C ATOM 126 CE1 TYR A 9 8.427 -21.863 -10.538 1.00 72.11 C ATOM 127 CE2 TYR A 9 7.792 -24.153 -10.826 1.00 44.52 C ATOM 128 CZ TYR A 9 7.904 -22.870 -11.322 1.00 62.32 C ATOM 129 OH TYR A 9 7.491 -22.595 -12.606 1.00 3.23 O ATOM 0 H TYR A 9 10.005 -21.453 -6.083 1.00 63.03 H new ATOM 0 HA TYR A 9 7.421 -22.847 -6.479 1.00 33.10 H new ATOM 0 HB2 TYR A 9 10.266 -23.565 -7.246 1.00 54.00 H new ATOM 0 HB3 TYR A 9 9.016 -24.786 -7.107 1.00 54.00 H new ATOM 0 HD1 TYR A 9 9.249 -21.354 -8.639 1.00 51.22 H new ATOM 0 HD2 TYR A 9 8.117 -25.430 -9.152 1.00 13.31 H new ATOM 0 HE1 TYR A 9 8.513 -20.860 -10.929 1.00 72.11 H new ATOM 0 HE2 TYR A 9 7.382 -24.940 -11.442 1.00 44.52 H new ATOM 0 HH TYR A 9 7.149 -23.414 -13.022 1.00 3.23 H new ATOM 139 N GLU A 10 7.680 -24.325 -4.474 1.00 33.23 N ATOM 140 CA GLU A 10 7.727 -24.999 -3.181 1.00 42.32 C ATOM 141 C GLU A 10 8.132 -26.461 -3.344 1.00 42.13 C ATOM 142 O GLU A 10 7.622 -27.339 -2.648 1.00 72.54 O ATOM 143 CB GLU A 10 6.368 -24.909 -2.484 1.00 70.23 C ATOM 144 CG GLU A 10 6.416 -25.268 -1.008 1.00 50.45 C ATOM 145 CD GLU A 10 5.491 -24.408 -0.169 1.00 72.11 C ATOM 146 OE1 GLU A 10 4.272 -24.679 -0.165 1.00 55.32 O ATOM 147 OE2 GLU A 10 5.985 -23.465 0.483 1.00 23.34 O ATOM 0 H GLU A 10 6.841 -24.519 -5.021 1.00 33.23 H new ATOM 0 HA GLU A 10 8.476 -24.499 -2.567 1.00 42.32 H new ATOM 0 HB2 GLU A 10 5.981 -23.896 -2.590 1.00 70.23 H new ATOM 0 HB3 GLU A 10 5.666 -25.573 -2.988 1.00 70.23 H new ATOM 0 HG2 GLU A 10 6.144 -26.316 -0.884 1.00 50.45 H new ATOM 0 HG3 GLU A 10 7.438 -25.158 -0.644 1.00 50.45 H new ATOM 154 N HIS A 11 9.053 -26.714 -4.269 1.00 72.41 N ATOM 155 CA HIS A 11 9.527 -28.070 -4.524 1.00 41.14 C ATOM 156 C HIS A 11 10.466 -28.099 -5.726 1.00 65.42 C ATOM 157 O HIS A 11 10.876 -27.055 -6.233 1.00 53.11 O ATOM 158 CB HIS A 11 8.345 -29.010 -4.763 1.00 1.10 C ATOM 159 CG HIS A 11 8.202 -30.071 -3.715 1.00 43.51 C ATOM 160 ND1 HIS A 11 6.997 -30.390 -3.127 1.00 74.12 N ATOM 161 CD2 HIS A 11 9.122 -30.888 -3.151 1.00 44.34 C ATOM 162 CE1 HIS A 11 7.182 -31.357 -2.246 1.00 14.31 C ATOM 163 NE2 HIS A 11 8.463 -31.677 -2.242 1.00 30.13 N ATOM 0 H HIS A 11 9.485 -25.999 -4.854 1.00 72.41 H new ATOM 0 HA HIS A 11 10.078 -28.407 -3.646 1.00 41.14 H new ATOM 0 HB2 HIS A 11 7.427 -28.423 -4.802 1.00 1.10 H new ATOM 0 HB3 HIS A 11 8.461 -29.486 -5.737 1.00 1.10 H new ATOM 0 HD2 HIS A 11 10.178 -30.914 -3.375 1.00 44.34 H new ATOM 0 HE1 HIS A 11 6.416 -31.809 -1.633 1.00 14.31 H new ATOM 0 HE2 HIS A 11 8.893 -32.394 -1.658 1.00 30.13 H new ATOM 171 N VAL A 12 10.805 -29.303 -6.177 1.00 62.21 N ATOM 172 CA VAL A 12 11.696 -29.469 -7.319 1.00 40.14 C ATOM 173 C VAL A 12 11.071 -28.903 -8.590 1.00 25.41 C ATOM 174 O VAL A 12 9.857 -28.722 -8.669 1.00 63.22 O ATOM 175 CB VAL A 12 12.046 -30.951 -7.548 1.00 74.41 C ATOM 176 CG1 VAL A 12 13.234 -31.081 -8.489 1.00 32.12 C ATOM 177 CG2 VAL A 12 12.326 -31.643 -6.223 1.00 5.25 C ATOM 0 H VAL A 12 10.476 -30.178 -5.769 1.00 62.21 H new ATOM 0 HA VAL A 12 12.609 -28.920 -7.090 1.00 40.14 H new ATOM 0 HB VAL A 12 11.190 -31.440 -8.013 1.00 74.41 H new ATOM 0 HG11 VAL A 12 13.466 -32.135 -8.638 1.00 32.12 H new ATOM 0 HG12 VAL A 12 12.990 -30.624 -9.448 1.00 32.12 H new ATOM 0 HG13 VAL A 12 14.098 -30.577 -8.056 1.00 32.12 H new ATOM 0 HG21 VAL A 12 12.572 -32.689 -6.404 1.00 5.25 H new ATOM 0 HG22 VAL A 12 13.164 -31.154 -5.727 1.00 5.25 H new ATOM 0 HG23 VAL A 12 11.443 -31.582 -5.587 1.00 5.25 H new ATOM 187 N ASN A 13 11.911 -28.627 -9.583 1.00 13.12 N ATOM 188 CA ASN A 13 11.441 -28.082 -10.851 1.00 52.52 C ATOM 189 C ASN A 13 11.038 -29.199 -11.808 1.00 70.41 C ATOM 190 O ASN A 13 11.524 -29.270 -12.937 1.00 52.23 O ATOM 191 CB ASN A 13 12.527 -27.214 -11.491 1.00 32.12 C ATOM 192 CG ASN A 13 13.845 -27.951 -11.635 1.00 55.42 C ATOM 193 OD1 ASN A 13 14.466 -28.335 -10.644 1.00 54.41 O ATOM 194 ND2 ASN A 13 14.278 -28.151 -12.875 1.00 15.35 N ATOM 0 H ASN A 13 12.919 -28.772 -9.534 1.00 13.12 H new ATOM 0 HA ASN A 13 10.564 -27.466 -10.650 1.00 52.52 H new ATOM 0 HB2 ASN A 13 12.191 -26.881 -12.473 1.00 32.12 H new ATOM 0 HB3 ASN A 13 12.678 -26.320 -10.886 1.00 32.12 H new ATOM 0 HD21 ASN A 13 15.158 -28.641 -13.035 1.00 15.35 H new ATOM 0 HD22 ASN A 13 13.730 -27.815 -13.667 1.00 15.35 H new ATOM 201 N PHE A 14 10.146 -30.071 -11.349 1.00 24.31 N ATOM 202 CA PHE A 14 9.678 -31.187 -12.163 1.00 50.54 C ATOM 203 C PHE A 14 8.606 -31.985 -11.427 1.00 63.23 C ATOM 204 O PHE A 14 8.446 -33.184 -11.652 1.00 53.02 O ATOM 205 CB PHE A 14 10.847 -32.101 -12.534 1.00 61.33 C ATOM 206 CG PHE A 14 11.148 -33.142 -11.494 1.00 14.23 C ATOM 207 CD1 PHE A 14 11.240 -32.796 -10.155 1.00 50.43 C ATOM 208 CD2 PHE A 14 11.338 -34.466 -11.854 1.00 64.10 C ATOM 209 CE1 PHE A 14 11.516 -33.751 -9.195 1.00 0.20 C ATOM 210 CE2 PHE A 14 11.614 -35.425 -10.898 1.00 62.53 C ATOM 211 CZ PHE A 14 11.704 -35.067 -9.567 1.00 64.33 C ATOM 0 H PHE A 14 9.733 -30.026 -10.418 1.00 24.31 H new ATOM 0 HA PHE A 14 9.241 -30.781 -13.075 1.00 50.54 H new ATOM 0 HB2 PHE A 14 10.624 -32.597 -13.479 1.00 61.33 H new ATOM 0 HB3 PHE A 14 11.737 -31.492 -12.695 1.00 61.33 H new ATOM 0 HD1 PHE A 14 11.094 -31.768 -9.858 1.00 50.43 H new ATOM 0 HD2 PHE A 14 11.270 -34.752 -12.893 1.00 64.10 H new ATOM 0 HE1 PHE A 14 11.585 -33.468 -8.155 1.00 0.20 H new ATOM 0 HE2 PHE A 14 11.759 -36.454 -11.192 1.00 62.53 H new ATOM 0 HZ PHE A 14 11.921 -35.815 -8.819 1.00 64.33 H new ATOM 221 N GLY A 15 7.875 -31.311 -10.545 1.00 41.51 N ATOM 222 CA GLY A 15 6.829 -31.972 -9.788 1.00 75.43 C ATOM 223 C GLY A 15 6.535 -31.277 -8.474 1.00 10.40 C ATOM 224 O GLY A 15 6.426 -31.922 -7.432 1.00 61.35 O ATOM 0 H GLY A 15 7.989 -30.318 -10.341 1.00 41.51 H new ATOM 0 HA2 GLY A 15 5.919 -32.009 -10.387 1.00 75.43 H new ATOM 0 HA3 GLY A 15 7.123 -33.003 -9.592 1.00 75.43 H new ATOM 228 N GLY A 16 6.408 -29.954 -8.522 1.00 0.24 N ATOM 229 CA GLY A 16 6.129 -29.192 -7.319 1.00 14.34 C ATOM 230 C GLY A 16 5.178 -28.038 -7.571 1.00 33.53 C ATOM 231 O GLY A 16 4.842 -27.740 -8.717 1.00 12.41 O ATOM 0 H GLY A 16 6.493 -29.397 -9.372 1.00 0.24 H new ATOM 0 HA2 GLY A 16 5.702 -29.853 -6.565 1.00 14.34 H new ATOM 0 HA3 GLY A 16 7.064 -28.806 -6.912 1.00 14.34 H new ATOM 235 N LYS A 17 4.740 -27.389 -6.497 1.00 45.24 N ATOM 236 CA LYS A 17 3.822 -26.262 -6.606 1.00 52.30 C ATOM 237 C LYS A 17 4.585 -24.952 -6.774 1.00 41.12 C ATOM 238 O LYS A 17 5.721 -24.822 -6.319 1.00 2.44 O ATOM 239 CB LYS A 17 2.925 -26.187 -5.368 1.00 4.31 C ATOM 240 CG LYS A 17 2.904 -24.816 -4.715 1.00 3.45 C ATOM 241 CD LYS A 17 2.000 -24.794 -3.494 1.00 0.44 C ATOM 242 CE LYS A 17 0.552 -25.070 -3.868 1.00 12.53 C ATOM 243 NZ LYS A 17 -0.348 -25.011 -2.682 1.00 60.15 N ATOM 0 H LYS A 17 5.006 -27.625 -5.541 1.00 45.24 H new ATOM 0 HA LYS A 17 3.201 -26.416 -7.489 1.00 52.30 H new ATOM 0 HB2 LYS A 17 1.908 -26.462 -5.649 1.00 4.31 H new ATOM 0 HB3 LYS A 17 3.264 -26.923 -4.639 1.00 4.31 H new ATOM 0 HG2 LYS A 17 3.916 -24.535 -4.425 1.00 3.45 H new ATOM 0 HG3 LYS A 17 2.561 -24.074 -5.436 1.00 3.45 H new ATOM 0 HD2 LYS A 17 2.340 -25.539 -2.775 1.00 0.44 H new ATOM 0 HD3 LYS A 17 2.072 -23.823 -3.004 1.00 0.44 H new ATOM 0 HE2 LYS A 17 0.223 -24.342 -4.610 1.00 12.53 H new ATOM 0 HE3 LYS A 17 0.478 -26.054 -4.332 1.00 12.53 H new ATOM 0 HZ1 LYS A 17 -1.326 -25.205 -2.978 1.00 60.15 H new ATOM 0 HZ2 LYS A 17 -0.050 -25.723 -1.985 1.00 60.15 H new ATOM 0 HZ3 LYS A 17 -0.297 -24.064 -2.254 1.00 60.15 H new ATOM 257 N SER A 18 3.953 -23.984 -7.430 1.00 11.32 N ATOM 258 CA SER A 18 4.574 -22.685 -7.660 1.00 12.53 C ATOM 259 C SER A 18 3.589 -21.554 -7.378 1.00 31.15 C ATOM 260 O SER A 18 2.381 -21.706 -7.564 1.00 24.44 O ATOM 261 CB SER A 18 5.082 -22.586 -9.099 1.00 72.15 C ATOM 262 OG SER A 18 4.385 -23.481 -9.948 1.00 71.45 O ATOM 0 H SER A 18 3.011 -24.075 -7.812 1.00 11.32 H new ATOM 0 HA SER A 18 5.418 -22.588 -6.977 1.00 12.53 H new ATOM 0 HB2 SER A 18 4.959 -21.566 -9.462 1.00 72.15 H new ATOM 0 HB3 SER A 18 6.149 -22.809 -9.128 1.00 72.15 H new ATOM 0 HG SER A 18 4.727 -23.398 -10.863 1.00 71.45 H new ATOM 268 N PHE A 19 4.114 -20.419 -6.927 1.00 34.30 N ATOM 269 CA PHE A 19 3.282 -19.262 -6.618 1.00 33.35 C ATOM 270 C PHE A 19 3.363 -18.221 -7.730 1.00 4.33 C ATOM 271 O PHE A 19 4.354 -17.500 -7.848 1.00 65.14 O ATOM 272 CB PHE A 19 3.712 -18.640 -5.288 1.00 14.44 C ATOM 273 CG PHE A 19 3.645 -19.594 -4.130 1.00 3.13 C ATOM 274 CD1 PHE A 19 2.529 -20.391 -3.935 1.00 15.55 C ATOM 275 CD2 PHE A 19 4.700 -19.695 -3.237 1.00 11.22 C ATOM 276 CE1 PHE A 19 2.465 -21.269 -2.869 1.00 52.13 C ATOM 277 CE2 PHE A 19 4.642 -20.572 -2.170 1.00 0.21 C ATOM 278 CZ PHE A 19 3.523 -21.361 -1.987 1.00 3.53 C ATOM 0 H PHE A 19 5.111 -20.276 -6.768 1.00 34.30 H new ATOM 0 HA PHE A 19 2.249 -19.600 -6.536 1.00 33.35 H new ATOM 0 HB2 PHE A 19 4.732 -18.268 -5.383 1.00 14.44 H new ATOM 0 HB3 PHE A 19 3.077 -17.779 -5.077 1.00 14.44 H new ATOM 0 HD1 PHE A 19 1.699 -20.326 -4.624 1.00 15.55 H new ATOM 0 HD2 PHE A 19 5.578 -19.081 -3.376 1.00 11.22 H new ATOM 0 HE1 PHE A 19 1.588 -21.883 -2.726 1.00 52.13 H new ATOM 0 HE2 PHE A 19 5.470 -20.640 -1.480 1.00 0.21 H new ATOM 0 HZ PHE A 19 3.476 -22.049 -1.155 1.00 3.53 H new ATOM 288 N ASP A 20 2.315 -18.148 -8.542 1.00 72.20 N ATOM 289 CA ASP A 20 2.266 -17.195 -9.645 1.00 24.23 C ATOM 290 C ASP A 20 1.045 -16.289 -9.526 1.00 43.51 C ATOM 291 O ASP A 20 0.257 -16.167 -10.463 1.00 51.12 O ATOM 292 CB ASP A 20 2.241 -17.933 -10.984 1.00 71.21 C ATOM 293 CG ASP A 20 1.179 -19.014 -11.029 1.00 54.15 C ATOM 294 OD1 ASP A 20 1.425 -20.111 -10.487 1.00 5.02 O ATOM 295 OD2 ASP A 20 0.101 -18.763 -11.608 1.00 53.05 O ATOM 0 H ASP A 20 1.487 -18.738 -8.458 1.00 72.20 H new ATOM 0 HA ASP A 20 3.162 -16.575 -9.598 1.00 24.23 H new ATOM 0 HB2 ASP A 20 2.061 -17.218 -11.787 1.00 71.21 H new ATOM 0 HB3 ASP A 20 3.218 -18.380 -11.168 1.00 71.21 H new ATOM 300 N ALA A 21 0.895 -15.655 -8.367 1.00 62.14 N ATOM 301 CA ALA A 21 -0.229 -14.759 -8.127 1.00 20.24 C ATOM 302 C ALA A 21 0.214 -13.516 -7.363 1.00 12.30 C ATOM 303 O ALA A 21 1.039 -13.594 -6.452 1.00 34.22 O ATOM 304 CB ALA A 21 -1.328 -15.485 -7.365 1.00 55.23 C ATOM 0 H ALA A 21 1.538 -15.746 -7.580 1.00 62.14 H new ATOM 0 HA ALA A 21 -0.621 -14.440 -9.093 1.00 20.24 H new ATOM 0 HB1 ALA A 21 -2.162 -14.804 -7.192 1.00 55.23 H new ATOM 0 HB2 ALA A 21 -1.672 -16.339 -7.948 1.00 55.23 H new ATOM 0 HB3 ALA A 21 -0.939 -15.832 -6.408 1.00 55.23 H new ATOM 310 N THR A 22 -0.339 -12.367 -7.740 1.00 42.14 N ATOM 311 CA THR A 22 0.001 -11.106 -7.092 1.00 74.35 C ATOM 312 C THR A 22 -0.758 -10.941 -5.781 1.00 2.34 C ATOM 313 O THR A 22 -1.643 -10.093 -5.667 1.00 73.32 O ATOM 314 CB THR A 22 -0.307 -9.905 -8.006 1.00 14.44 C ATOM 315 OG1 THR A 22 0.055 -10.210 -9.357 1.00 23.33 O ATOM 316 CG2 THR A 22 0.444 -8.666 -7.541 1.00 54.24 C ATOM 0 H THR A 22 -1.024 -12.284 -8.491 1.00 42.14 H new ATOM 0 HA THR A 22 1.071 -11.133 -6.888 1.00 74.35 H new ATOM 0 HB THR A 22 -1.377 -9.703 -7.955 1.00 14.44 H new ATOM 0 HG1 THR A 22 -0.146 -9.442 -9.931 1.00 23.33 H new ATOM 0 HG21 THR A 22 0.211 -7.830 -8.201 1.00 54.24 H new ATOM 0 HG22 THR A 22 0.143 -8.419 -6.523 1.00 54.24 H new ATOM 0 HG23 THR A 22 1.516 -8.860 -7.565 1.00 54.24 H new ATOM 324 N SER A 23 -0.404 -11.755 -4.791 1.00 74.12 N ATOM 325 CA SER A 23 -1.055 -11.700 -3.487 1.00 64.51 C ATOM 326 C SER A 23 -0.061 -12.011 -2.371 1.00 52.45 C ATOM 327 O SER A 23 1.146 -12.084 -2.603 1.00 12.03 O ATOM 328 CB SER A 23 -2.223 -12.687 -3.434 1.00 64.13 C ATOM 329 OG SER A 23 -3.207 -12.262 -2.508 1.00 74.41 O ATOM 0 H SER A 23 0.329 -12.460 -4.867 1.00 74.12 H new ATOM 0 HA SER A 23 -1.436 -10.689 -3.341 1.00 64.51 H new ATOM 0 HB2 SER A 23 -2.668 -12.782 -4.424 1.00 64.13 H new ATOM 0 HB3 SER A 23 -1.857 -13.674 -3.153 1.00 64.13 H new ATOM 0 HG SER A 23 -3.944 -12.908 -2.494 1.00 74.41 H new ATOM 335 N ASP A 24 -0.578 -12.192 -1.161 1.00 52.33 N ATOM 336 CA ASP A 24 0.262 -12.495 -0.009 1.00 31.15 C ATOM 337 C ASP A 24 0.438 -14.002 0.154 1.00 42.40 C ATOM 338 O ASP A 24 -0.193 -14.620 1.010 1.00 24.45 O ATOM 339 CB ASP A 24 -0.346 -11.900 1.263 1.00 65.12 C ATOM 340 CG ASP A 24 0.581 -12.017 2.457 1.00 43.11 C ATOM 341 OD1 ASP A 24 1.747 -11.583 2.348 1.00 45.11 O ATOM 342 OD2 ASP A 24 0.140 -12.541 3.501 1.00 64.54 O ATOM 0 H ASP A 24 -1.575 -12.134 -0.953 1.00 52.33 H new ATOM 0 HA ASP A 24 1.242 -12.049 -0.178 1.00 31.15 H new ATOM 0 HB2 ASP A 24 -0.583 -10.850 1.092 1.00 65.12 H new ATOM 0 HB3 ASP A 24 -1.285 -12.407 1.485 1.00 65.12 H new ATOM 347 N GLN A 25 1.299 -14.584 -0.675 1.00 34.44 N ATOM 348 CA GLN A 25 1.556 -16.019 -0.623 1.00 53.33 C ATOM 349 C GLN A 25 2.527 -16.358 0.503 1.00 15.20 C ATOM 350 O GLN A 25 3.236 -15.497 1.024 1.00 65.14 O ATOM 351 CB GLN A 25 2.117 -16.506 -1.960 1.00 41.33 C ATOM 352 CG GLN A 25 1.176 -17.432 -2.714 1.00 24.11 C ATOM 353 CD GLN A 25 0.040 -16.688 -3.387 1.00 34.25 C ATOM 354 OE1 GLN A 25 0.251 -15.663 -4.035 1.00 11.11 O ATOM 355 NE2 GLN A 25 -1.176 -17.202 -3.236 1.00 4.12 N ATOM 0 H GLN A 25 1.829 -14.085 -1.389 1.00 34.44 H new ATOM 0 HA GLN A 25 0.611 -16.525 -0.427 1.00 53.33 H new ATOM 0 HB2 GLN A 25 2.342 -15.643 -2.586 1.00 41.33 H new ATOM 0 HB3 GLN A 25 3.059 -17.025 -1.782 1.00 41.33 H new ATOM 0 HG2 GLN A 25 1.740 -17.983 -3.466 1.00 24.11 H new ATOM 0 HG3 GLN A 25 0.764 -18.167 -2.022 1.00 24.11 H new ATOM 0 HE21 GLN A 25 -1.305 -18.054 -2.690 1.00 4.12 H new ATOM 0 HE22 GLN A 25 -1.980 -16.745 -3.666 1.00 4.12 H new ATOM 364 N PRO A 26 2.560 -17.642 0.890 1.00 54.41 N ATOM 365 CA PRO A 26 3.440 -18.124 1.959 1.00 54.15 C ATOM 366 C PRO A 26 4.908 -17.825 1.679 1.00 5.43 C ATOM 367 O PRO A 26 5.582 -18.576 0.976 1.00 24.22 O ATOM 368 CB PRO A 26 3.194 -19.635 1.966 1.00 53.33 C ATOM 369 CG PRO A 26 1.851 -19.803 1.344 1.00 55.13 C ATOM 370 CD PRO A 26 1.741 -18.721 0.314 1.00 70.55 C ATOM 0 HA PRO A 26 3.228 -17.639 2.912 1.00 54.15 H new ATOM 0 HB2 PRO A 26 3.961 -20.164 1.400 1.00 53.33 H new ATOM 0 HB3 PRO A 26 3.213 -20.035 2.980 1.00 53.33 H new ATOM 0 HG2 PRO A 26 1.751 -20.788 0.889 1.00 55.13 H new ATOM 0 HG3 PRO A 26 1.061 -19.715 2.090 1.00 55.13 H new ATOM 0 HD2 PRO A 26 2.121 -19.044 -0.655 1.00 70.55 H new ATOM 0 HD3 PRO A 26 0.708 -18.409 0.163 1.00 70.55 H new ATOM 378 N GLY A 27 5.399 -16.721 2.236 1.00 62.14 N ATOM 379 CA GLY A 27 6.786 -16.342 2.035 1.00 73.53 C ATOM 380 C GLY A 27 7.753 -17.369 2.590 1.00 2.41 C ATOM 381 O GLY A 27 7.992 -18.405 1.972 1.00 74.45 O ATOM 0 H GLY A 27 4.861 -16.083 2.822 1.00 62.14 H new ATOM 0 HA2 GLY A 27 6.973 -16.210 0.969 1.00 73.53 H new ATOM 0 HA3 GLY A 27 6.969 -15.379 2.512 1.00 73.53 H new ATOM 385 N ALA A 28 8.313 -17.079 3.760 1.00 45.11 N ATOM 386 CA ALA A 28 9.260 -17.985 4.399 1.00 43.44 C ATOM 387 C ALA A 28 8.546 -18.955 5.333 1.00 24.14 C ATOM 388 O ALA A 28 7.318 -18.973 5.406 1.00 45.22 O ATOM 389 CB ALA A 28 10.315 -17.195 5.160 1.00 52.13 C ATOM 0 H ALA A 28 8.127 -16.224 4.284 1.00 45.11 H new ATOM 0 HA ALA A 28 9.751 -18.568 3.619 1.00 43.44 H new ATOM 0 HB1 ALA A 28 11.015 -17.884 5.632 1.00 52.13 H new ATOM 0 HB2 ALA A 28 10.854 -16.547 4.468 1.00 52.13 H new ATOM 0 HB3 ALA A 28 9.833 -16.587 5.925 1.00 52.13 H new ATOM 395 N GLY A 29 9.325 -19.763 6.048 1.00 52.33 N ATOM 396 CA GLY A 29 8.749 -20.726 6.968 1.00 53.42 C ATOM 397 C GLY A 29 8.689 -22.123 6.383 1.00 41.32 C ATOM 398 O GLY A 29 7.660 -22.535 5.847 1.00 21.44 O ATOM 0 H GLY A 29 10.344 -19.767 6.006 1.00 52.33 H new ATOM 0 HA2 GLY A 29 9.338 -20.745 7.885 1.00 53.42 H new ATOM 0 HA3 GLY A 29 7.743 -20.406 7.241 1.00 53.42 H new ATOM 402 N ASP A 30 9.795 -22.852 6.483 1.00 12.02 N ATOM 403 CA ASP A 30 9.865 -24.211 5.959 1.00 73.00 C ATOM 404 C ASP A 30 9.639 -25.234 7.068 1.00 13.42 C ATOM 405 O ASP A 30 9.433 -24.872 8.226 1.00 23.51 O ATOM 406 CB ASP A 30 11.220 -24.454 5.292 1.00 34.33 C ATOM 407 CG ASP A 30 11.189 -24.178 3.802 1.00 63.52 C ATOM 408 OD1 ASP A 30 10.495 -23.226 3.388 1.00 2.13 O ATOM 409 OD2 ASP A 30 11.860 -24.915 3.049 1.00 43.40 O ATOM 0 H ASP A 30 10.655 -22.525 6.922 1.00 12.02 H new ATOM 0 HA ASP A 30 9.077 -24.328 5.216 1.00 73.00 H new ATOM 0 HB2 ASP A 30 11.972 -23.819 5.761 1.00 34.33 H new ATOM 0 HB3 ASP A 30 11.525 -25.487 5.461 1.00 34.33 H new ATOM 414 N ASN A 31 9.677 -26.511 6.705 1.00 62.51 N ATOM 415 CA ASN A 31 9.475 -27.587 7.669 1.00 10.32 C ATOM 416 C ASN A 31 10.784 -28.319 7.950 1.00 13.33 C ATOM 417 O ASN A 31 11.763 -28.166 7.219 1.00 40.40 O ATOM 418 CB ASN A 31 8.427 -28.574 7.152 1.00 54.45 C ATOM 419 CG ASN A 31 7.149 -28.541 7.968 1.00 61.20 C ATOM 420 OD1 ASN A 31 7.004 -29.278 8.944 1.00 50.42 O ATOM 421 ND2 ASN A 31 6.215 -27.685 7.571 1.00 40.21 N ATOM 0 H ASN A 31 9.846 -26.827 5.750 1.00 62.51 H new ATOM 0 HA ASN A 31 9.120 -27.145 8.600 1.00 10.32 H new ATOM 0 HB2 ASN A 31 8.197 -28.343 6.112 1.00 54.45 H new ATOM 0 HB3 ASN A 31 8.841 -29.582 7.171 1.00 54.45 H new ATOM 0 HD21 ASN A 31 5.334 -27.619 8.081 1.00 40.21 H new ATOM 0 HD22 ASN A 31 6.378 -27.093 6.756 1.00 40.21 H new ATOM 428 N LEU A 32 10.793 -29.115 9.014 1.00 42.42 N ATOM 429 CA LEU A 32 11.981 -29.872 9.392 1.00 4.11 C ATOM 430 C LEU A 32 12.454 -30.755 8.241 1.00 12.43 C ATOM 431 O LEU A 32 11.694 -31.568 7.718 1.00 71.12 O ATOM 432 CB LEU A 32 11.692 -30.732 10.624 1.00 54.43 C ATOM 433 CG LEU A 32 12.081 -30.125 11.972 1.00 33.13 C ATOM 434 CD1 LEU A 32 10.989 -29.192 12.473 1.00 43.44 C ATOM 435 CD2 LEU A 32 12.355 -31.222 12.991 1.00 44.31 C ATOM 0 H LEU A 32 9.991 -29.253 9.630 1.00 42.42 H new ATOM 0 HA LEU A 32 12.773 -29.162 9.630 1.00 4.11 H new ATOM 0 HB2 LEU A 32 10.626 -30.957 10.643 1.00 54.43 H new ATOM 0 HB3 LEU A 32 12.216 -31.681 10.511 1.00 54.43 H new ATOM 0 HG LEU A 32 12.993 -29.544 11.837 1.00 33.13 H new ATOM 0 HD11 LEU A 32 11.284 -28.770 13.434 1.00 43.44 H new ATOM 0 HD12 LEU A 32 10.840 -28.387 11.753 1.00 43.44 H new ATOM 0 HD13 LEU A 32 10.060 -29.750 12.592 1.00 43.44 H new ATOM 0 HD21 LEU A 32 12.631 -30.772 13.945 1.00 44.31 H new ATOM 0 HD22 LEU A 32 11.459 -31.829 13.122 1.00 44.31 H new ATOM 0 HD23 LEU A 32 13.172 -31.851 12.637 1.00 44.31 H new ATOM 447 N ASN A 33 13.714 -30.589 7.854 1.00 5.12 N ATOM 448 CA ASN A 33 14.289 -31.372 6.766 1.00 1.04 C ATOM 449 C ASN A 33 13.409 -31.303 5.522 1.00 13.13 C ATOM 450 O ASN A 33 13.129 -32.322 4.890 1.00 13.41 O ATOM 451 CB ASN A 33 14.468 -32.829 7.198 1.00 10.11 C ATOM 452 CG ASN A 33 15.735 -33.446 6.639 1.00 60.34 C ATOM 453 OD1 ASN A 33 16.421 -32.842 5.814 1.00 25.42 O ATOM 454 ND2 ASN A 33 16.051 -34.656 7.086 1.00 73.35 N ATOM 0 H ASN A 33 14.357 -29.920 8.277 1.00 5.12 H new ATOM 0 HA ASN A 33 15.264 -30.950 6.523 1.00 1.04 H new ATOM 0 HB2 ASN A 33 14.491 -32.882 8.286 1.00 10.11 H new ATOM 0 HB3 ASN A 33 13.607 -33.411 6.868 1.00 10.11 H new ATOM 0 HD21 ASN A 33 16.892 -35.122 6.745 1.00 73.35 H new ATOM 0 HD22 ASN A 33 15.453 -35.119 7.770 1.00 73.35 H new ATOM 461 N ASP A 34 12.976 -30.095 5.177 1.00 62.42 N ATOM 462 CA ASP A 34 12.129 -29.892 4.007 1.00 31.34 C ATOM 463 C ASP A 34 12.629 -28.719 3.171 1.00 44.02 C ATOM 464 O ASP A 34 11.839 -27.928 2.656 1.00 42.51 O ATOM 465 CB ASP A 34 10.681 -29.648 4.436 1.00 22.22 C ATOM 466 CG ASP A 34 9.683 -30.313 3.509 1.00 32.31 C ATOM 467 OD1 ASP A 34 9.482 -31.539 3.635 1.00 23.21 O ATOM 468 OD2 ASP A 34 9.103 -29.608 2.657 1.00 14.01 O ATOM 0 H ASP A 34 13.197 -29.242 5.691 1.00 62.42 H new ATOM 0 HA ASP A 34 12.172 -30.794 3.397 1.00 31.34 H new ATOM 0 HB2 ASP A 34 10.537 -30.023 5.449 1.00 22.22 H new ATOM 0 HB3 ASP A 34 10.489 -28.575 4.463 1.00 22.22 H new ATOM 473 N LYS A 35 13.947 -28.612 3.040 1.00 3.20 N ATOM 474 CA LYS A 35 14.555 -27.536 2.266 1.00 11.32 C ATOM 475 C LYS A 35 15.023 -28.041 0.905 1.00 34.32 C ATOM 476 O LYS A 35 16.060 -28.696 0.799 1.00 1.11 O ATOM 477 CB LYS A 35 15.735 -26.933 3.031 1.00 23.25 C ATOM 478 CG LYS A 35 16.459 -25.837 2.269 1.00 71.14 C ATOM 479 CD LYS A 35 15.511 -24.721 1.863 1.00 70.15 C ATOM 480 CE LYS A 35 15.176 -24.786 0.380 1.00 21.03 C ATOM 481 NZ LYS A 35 13.706 -24.776 0.143 1.00 60.22 N ATOM 0 H LYS A 35 14.615 -29.258 3.460 1.00 3.20 H new ATOM 0 HA LYS A 35 13.800 -26.766 2.108 1.00 11.32 H new ATOM 0 HB2 LYS A 35 15.375 -26.529 3.977 1.00 23.25 H new ATOM 0 HB3 LYS A 35 16.444 -27.725 3.272 1.00 23.25 H new ATOM 0 HG2 LYS A 35 17.258 -25.429 2.888 1.00 71.14 H new ATOM 0 HG3 LYS A 35 16.928 -26.259 1.380 1.00 71.14 H new ATOM 0 HD2 LYS A 35 14.594 -24.791 2.448 1.00 70.15 H new ATOM 0 HD3 LYS A 35 15.963 -23.756 2.093 1.00 70.15 H new ATOM 0 HE2 LYS A 35 15.632 -23.939 -0.133 1.00 21.03 H new ATOM 0 HE3 LYS A 35 15.607 -25.690 -0.051 1.00 21.03 H new ATOM 0 HZ1 LYS A 35 13.488 -25.333 -0.708 1.00 60.22 H new ATOM 0 HZ2 LYS A 35 13.219 -25.191 0.963 1.00 60.22 H new ATOM 0 HZ3 LYS A 35 13.383 -23.797 0.008 1.00 60.22 H new ATOM 495 N ILE A 36 14.252 -27.732 -0.132 1.00 61.33 N ATOM 496 CA ILE A 36 14.590 -28.153 -1.486 1.00 72.52 C ATOM 497 C ILE A 36 13.552 -27.663 -2.490 1.00 34.14 C ATOM 498 O ILE A 36 12.456 -28.216 -2.585 1.00 61.23 O ATOM 499 CB ILE A 36 14.701 -29.686 -1.588 1.00 24.24 C ATOM 500 CG1 ILE A 36 14.867 -30.112 -3.048 1.00 2.20 C ATOM 501 CG2 ILE A 36 13.477 -30.348 -0.973 1.00 23.20 C ATOM 502 CD1 ILE A 36 15.109 -31.595 -3.221 1.00 45.24 C ATOM 0 H ILE A 36 13.390 -27.192 -0.061 1.00 61.33 H new ATOM 0 HA ILE A 36 15.558 -27.710 -1.721 1.00 72.52 H new ATOM 0 HB ILE A 36 15.582 -30.009 -1.033 1.00 24.24 H new ATOM 0 HG12 ILE A 36 13.973 -29.831 -3.604 1.00 2.20 H new ATOM 0 HG13 ILE A 36 15.700 -29.563 -3.486 1.00 2.20 H new ATOM 0 HG21 ILE A 36 13.570 -31.431 -1.053 1.00 23.20 H new ATOM 0 HG22 ILE A 36 13.400 -30.067 0.077 1.00 23.20 H new ATOM 0 HG23 ILE A 36 12.582 -30.021 -1.502 1.00 23.20 H new ATOM 0 HD11 ILE A 36 15.217 -31.825 -4.281 1.00 45.24 H new ATOM 0 HD12 ILE A 36 16.020 -31.879 -2.693 1.00 45.24 H new ATOM 0 HD13 ILE A 36 14.265 -32.151 -2.813 1.00 45.24 H new ATOM 514 N SER A 37 13.905 -26.622 -3.237 1.00 75.32 N ATOM 515 CA SER A 37 13.003 -26.055 -4.233 1.00 35.50 C ATOM 516 C SER A 37 13.741 -25.075 -5.139 1.00 70.34 C ATOM 517 O SER A 37 14.971 -25.024 -5.146 1.00 31.42 O ATOM 518 CB SER A 37 11.831 -25.350 -3.548 1.00 34.24 C ATOM 519 OG SER A 37 12.260 -24.172 -2.887 1.00 70.22 O ATOM 0 H SER A 37 14.809 -26.154 -3.172 1.00 75.32 H new ATOM 0 HA SER A 37 12.619 -26.871 -4.846 1.00 35.50 H new ATOM 0 HB2 SER A 37 11.071 -25.099 -4.288 1.00 34.24 H new ATOM 0 HB3 SER A 37 11.366 -26.025 -2.830 1.00 34.24 H new ATOM 0 HG SER A 37 11.623 -23.448 -3.062 1.00 70.22 H new ATOM 525 N SER A 38 12.981 -24.298 -5.904 1.00 75.21 N ATOM 526 CA SER A 38 13.561 -23.322 -6.818 1.00 4.40 C ATOM 527 C SER A 38 13.189 -21.901 -6.404 1.00 21.35 C ATOM 528 O SER A 38 12.322 -21.698 -5.553 1.00 70.51 O ATOM 529 CB SER A 38 13.090 -23.588 -8.249 1.00 1.50 C ATOM 530 OG SER A 38 13.757 -22.743 -9.171 1.00 12.42 O ATOM 0 H SER A 38 11.961 -24.326 -5.909 1.00 75.21 H new ATOM 0 HA SER A 38 14.646 -23.422 -6.776 1.00 4.40 H new ATOM 0 HB2 SER A 38 13.274 -24.631 -8.508 1.00 1.50 H new ATOM 0 HB3 SER A 38 12.014 -23.428 -8.317 1.00 1.50 H new ATOM 0 HG SER A 38 14.677 -22.591 -8.869 1.00 12.42 H new ATOM 536 N ILE A 39 13.851 -20.922 -7.010 1.00 61.05 N ATOM 537 CA ILE A 39 13.590 -19.521 -6.706 1.00 13.21 C ATOM 538 C ILE A 39 13.744 -18.650 -7.948 1.00 74.24 C ATOM 539 O ILE A 39 14.661 -18.844 -8.747 1.00 32.24 O ATOM 540 CB ILE A 39 14.533 -18.998 -5.607 1.00 22.15 C ATOM 541 CG1 ILE A 39 13.726 -18.485 -4.413 1.00 14.24 C ATOM 542 CG2 ILE A 39 15.431 -17.900 -6.157 1.00 70.20 C ATOM 543 CD1 ILE A 39 12.888 -17.266 -4.729 1.00 52.21 C ATOM 0 H ILE A 39 14.573 -21.073 -7.715 1.00 61.05 H new ATOM 0 HA ILE A 39 12.562 -19.463 -6.350 1.00 13.21 H new ATOM 0 HB ILE A 39 15.163 -19.821 -5.269 1.00 22.15 H new ATOM 0 HG12 ILE A 39 13.073 -19.282 -4.056 1.00 14.24 H new ATOM 0 HG13 ILE A 39 14.410 -18.245 -3.599 1.00 14.24 H new ATOM 0 HG21 ILE A 39 16.092 -17.541 -5.368 1.00 70.20 H new ATOM 0 HG22 ILE A 39 16.028 -18.296 -6.978 1.00 70.20 H new ATOM 0 HG23 ILE A 39 14.817 -17.075 -6.520 1.00 70.20 H new ATOM 0 HD11 ILE A 39 12.343 -16.958 -3.837 1.00 52.21 H new ATOM 0 HD12 ILE A 39 13.537 -16.454 -5.057 1.00 52.21 H new ATOM 0 HD13 ILE A 39 12.180 -17.507 -5.521 1.00 52.21 H new ATOM 555 N LYS A 40 12.841 -17.688 -8.106 1.00 34.34 N ATOM 556 CA LYS A 40 12.876 -16.784 -9.249 1.00 23.10 C ATOM 557 C LYS A 40 12.535 -15.359 -8.826 1.00 42.23 C ATOM 558 O LYS A 40 11.446 -15.095 -8.317 1.00 32.50 O ATOM 559 CB LYS A 40 11.899 -17.255 -10.328 1.00 71.13 C ATOM 560 CG LYS A 40 12.385 -16.996 -11.744 1.00 21.22 C ATOM 561 CD LYS A 40 11.401 -16.140 -12.523 1.00 44.14 C ATOM 562 CE LYS A 40 12.042 -15.551 -13.771 1.00 72.01 C ATOM 563 NZ LYS A 40 11.074 -15.454 -14.898 1.00 54.24 N ATOM 0 H LYS A 40 12.075 -17.514 -7.455 1.00 34.34 H new ATOM 0 HA LYS A 40 13.887 -16.791 -9.655 1.00 23.10 H new ATOM 0 HB2 LYS A 40 11.721 -18.323 -10.204 1.00 71.13 H new ATOM 0 HB3 LYS A 40 10.942 -16.753 -10.184 1.00 71.13 H new ATOM 0 HG2 LYS A 40 13.355 -16.499 -11.712 1.00 21.22 H new ATOM 0 HG3 LYS A 40 12.530 -17.945 -12.259 1.00 21.22 H new ATOM 0 HD2 LYS A 40 10.537 -16.742 -12.806 1.00 44.14 H new ATOM 0 HD3 LYS A 40 11.034 -15.335 -11.887 1.00 44.14 H new ATOM 0 HE2 LYS A 40 12.436 -14.560 -13.544 1.00 72.01 H new ATOM 0 HE3 LYS A 40 12.888 -16.169 -14.071 1.00 72.01 H new ATOM 0 HZ1 LYS A 40 11.549 -15.048 -15.730 1.00 54.24 H new ATOM 0 HZ2 LYS A 40 10.717 -16.402 -15.132 1.00 54.24 H new ATOM 0 HZ3 LYS A 40 10.279 -14.843 -14.621 1.00 54.24 H new ATOM 577 N VAL A 41 13.473 -14.442 -9.042 1.00 40.23 N ATOM 578 CA VAL A 41 13.270 -13.043 -8.686 1.00 45.51 C ATOM 579 C VAL A 41 13.226 -12.160 -9.929 1.00 21.15 C ATOM 580 O VAL A 41 14.003 -12.347 -10.865 1.00 24.02 O ATOM 581 CB VAL A 41 14.383 -12.535 -7.749 1.00 34.20 C ATOM 582 CG1 VAL A 41 15.753 -12.887 -8.307 1.00 21.41 C ATOM 583 CG2 VAL A 41 14.255 -11.035 -7.535 1.00 13.44 C ATOM 0 H VAL A 41 14.381 -14.643 -9.462 1.00 40.23 H new ATOM 0 HA VAL A 41 12.313 -12.984 -8.168 1.00 45.51 H new ATOM 0 HB VAL A 41 14.273 -13.028 -6.783 1.00 34.20 H new ATOM 0 HG11 VAL A 41 16.526 -12.520 -7.632 1.00 21.41 H new ATOM 0 HG12 VAL A 41 15.839 -13.969 -8.404 1.00 21.41 H new ATOM 0 HG13 VAL A 41 15.877 -12.424 -9.286 1.00 21.41 H new ATOM 0 HG21 VAL A 41 15.049 -10.693 -6.871 1.00 13.44 H new ATOM 0 HG22 VAL A 41 14.338 -10.522 -8.493 1.00 13.44 H new ATOM 0 HG23 VAL A 41 13.286 -10.813 -7.087 1.00 13.44 H new ATOM 593 N LYS A 42 12.311 -11.197 -9.931 1.00 2.54 N ATOM 594 CA LYS A 42 12.165 -10.282 -11.057 1.00 31.11 C ATOM 595 C LYS A 42 11.944 -8.853 -10.572 1.00 52.12 C ATOM 596 O LYS A 42 11.072 -8.144 -11.076 1.00 65.31 O ATOM 597 CB LYS A 42 10.997 -10.717 -11.945 1.00 62.12 C ATOM 598 CG LYS A 42 11.002 -10.066 -13.318 1.00 33.43 C ATOM 599 CD LYS A 42 12.261 -10.413 -14.095 1.00 12.43 C ATOM 600 CE LYS A 42 12.428 -11.917 -14.243 1.00 62.02 C ATOM 601 NZ LYS A 42 13.427 -12.263 -15.293 1.00 35.25 N ATOM 0 H LYS A 42 11.659 -11.030 -9.165 1.00 2.54 H new ATOM 0 HA LYS A 42 13.086 -10.311 -11.639 1.00 31.11 H new ATOM 0 HB2 LYS A 42 11.027 -11.800 -12.065 1.00 62.12 H new ATOM 0 HB3 LYS A 42 10.060 -10.478 -11.442 1.00 62.12 H new ATOM 0 HG2 LYS A 42 10.126 -10.391 -13.879 1.00 33.43 H new ATOM 0 HG3 LYS A 42 10.927 -8.984 -13.209 1.00 33.43 H new ATOM 0 HD2 LYS A 42 12.220 -9.952 -15.082 1.00 12.43 H new ATOM 0 HD3 LYS A 42 13.130 -9.998 -13.585 1.00 12.43 H new ATOM 0 HE2 LYS A 42 12.740 -12.343 -13.290 1.00 62.02 H new ATOM 0 HE3 LYS A 42 11.467 -12.366 -14.494 1.00 62.02 H new ATOM 0 HZ1 LYS A 42 13.512 -13.297 -15.364 1.00 35.25 H new ATOM 0 HZ2 LYS A 42 13.117 -11.878 -16.208 1.00 35.25 H new ATOM 0 HZ3 LYS A 42 14.350 -11.856 -15.041 1.00 35.25 H new ATOM 615 N SER A 43 12.739 -8.435 -9.592 1.00 62.34 N ATOM 616 CA SER A 43 12.628 -7.091 -9.038 1.00 64.04 C ATOM 617 C SER A 43 13.659 -6.871 -7.936 1.00 25.35 C ATOM 618 O SER A 43 13.598 -7.499 -6.879 1.00 2.50 O ATOM 619 CB SER A 43 11.220 -6.857 -8.489 1.00 73.50 C ATOM 620 OG SER A 43 10.623 -8.076 -8.082 1.00 34.34 O ATOM 0 H SER A 43 13.467 -9.008 -9.165 1.00 62.34 H new ATOM 0 HA SER A 43 12.820 -6.378 -9.839 1.00 64.04 H new ATOM 0 HB2 SER A 43 11.265 -6.170 -7.644 1.00 73.50 H new ATOM 0 HB3 SER A 43 10.603 -6.383 -9.252 1.00 73.50 H new ATOM 0 HG SER A 43 9.724 -7.900 -7.733 1.00 34.34 H new ATOM 626 N GLY A 44 14.608 -5.975 -8.191 1.00 12.35 N ATOM 627 CA GLY A 44 15.639 -5.687 -7.211 1.00 65.32 C ATOM 628 C GLY A 44 16.336 -6.940 -6.718 1.00 34.13 C ATOM 629 O GLY A 44 16.684 -7.819 -7.507 1.00 51.32 O ATOM 0 H GLY A 44 14.681 -5.444 -9.059 1.00 12.35 H new ATOM 0 HA2 GLY A 44 16.376 -5.014 -7.650 1.00 65.32 H new ATOM 0 HA3 GLY A 44 15.195 -5.165 -6.364 1.00 65.32 H new ATOM 633 N THR A 45 16.541 -7.024 -5.407 1.00 3.32 N ATOM 634 CA THR A 45 17.203 -8.176 -4.809 1.00 60.40 C ATOM 635 C THR A 45 16.703 -8.423 -3.390 1.00 41.32 C ATOM 636 O THR A 45 16.312 -7.489 -2.689 1.00 64.31 O ATOM 637 CB THR A 45 18.732 -7.993 -4.778 1.00 1.32 C ATOM 638 OG1 THR A 45 19.075 -6.876 -3.950 1.00 55.41 O ATOM 639 CG2 THR A 45 19.280 -7.778 -6.181 1.00 0.24 C ATOM 0 H THR A 45 16.258 -6.307 -4.739 1.00 3.32 H new ATOM 0 HA THR A 45 16.961 -9.037 -5.432 1.00 60.40 H new ATOM 0 HB THR A 45 19.176 -8.900 -4.367 1.00 1.32 H new ATOM 0 HG1 THR A 45 20.049 -6.767 -3.934 1.00 55.41 H new ATOM 0 HG21 THR A 45 20.362 -7.651 -6.134 1.00 0.24 H new ATOM 0 HG22 THR A 45 19.043 -8.643 -6.801 1.00 0.24 H new ATOM 0 HG23 THR A 45 18.829 -6.886 -6.615 1.00 0.24 H new ATOM 647 N TRP A 46 16.719 -9.683 -2.973 1.00 71.41 N ATOM 648 CA TRP A 46 16.267 -10.052 -1.636 1.00 42.41 C ATOM 649 C TRP A 46 17.405 -10.665 -0.827 1.00 75.41 C ATOM 650 O TRP A 46 18.479 -10.941 -1.360 1.00 44.14 O ATOM 651 CB TRP A 46 15.098 -11.034 -1.723 1.00 24.41 C ATOM 652 CG TRP A 46 14.125 -10.705 -2.814 1.00 12.54 C ATOM 653 CD1 TRP A 46 13.697 -9.461 -3.182 1.00 0.11 C ATOM 654 CD2 TRP A 46 13.457 -11.632 -3.675 1.00 73.34 C ATOM 655 NE1 TRP A 46 12.803 -9.560 -4.221 1.00 2.22 N ATOM 656 CE2 TRP A 46 12.639 -10.881 -4.543 1.00 25.13 C ATOM 657 CE3 TRP A 46 13.471 -13.024 -3.800 1.00 72.14 C ATOM 658 CZ2 TRP A 46 11.845 -11.477 -5.518 1.00 51.15 C ATOM 659 CZ3 TRP A 46 12.681 -13.614 -4.769 1.00 44.22 C ATOM 660 CH2 TRP A 46 11.878 -12.841 -5.618 1.00 61.34 C ATOM 0 H TRP A 46 17.040 -10.467 -3.541 1.00 71.41 H new ATOM 0 HA TRP A 46 15.933 -9.147 -1.129 1.00 42.41 H new ATOM 0 HB2 TRP A 46 15.488 -12.039 -1.885 1.00 24.41 H new ATOM 0 HB3 TRP A 46 14.572 -11.047 -0.769 1.00 24.41 H new ATOM 0 HD1 TRP A 46 14.014 -8.536 -2.724 1.00 0.11 H new ATOM 0 HE1 TRP A 46 12.337 -8.776 -4.678 1.00 2.22 H new ATOM 0 HE3 TRP A 46 14.088 -13.628 -3.151 1.00 72.14 H new ATOM 0 HZ2 TRP A 46 11.224 -10.883 -6.173 1.00 51.15 H new ATOM 0 HZ3 TRP A 46 12.683 -14.689 -4.873 1.00 44.22 H new ATOM 0 HH2 TRP A 46 11.273 -13.332 -6.366 1.00 61.34 H new ATOM 671 N ARG A 47 17.161 -10.877 0.462 1.00 32.31 N ATOM 672 CA ARG A 47 18.166 -11.458 1.344 1.00 11.02 C ATOM 673 C ARG A 47 17.729 -12.835 1.835 1.00 74.25 C ATOM 674 O ARG A 47 16.693 -12.974 2.485 1.00 15.00 O ATOM 675 CB ARG A 47 18.420 -10.537 2.539 1.00 43.33 C ATOM 676 CG ARG A 47 19.110 -9.234 2.167 1.00 15.11 C ATOM 677 CD ARG A 47 18.145 -8.059 2.219 1.00 64.11 C ATOM 678 NE ARG A 47 18.279 -7.295 3.456 1.00 24.23 N ATOM 679 CZ ARG A 47 17.333 -6.493 3.931 1.00 31.10 C ATOM 680 NH1 ARG A 47 16.189 -6.351 3.275 1.00 23.34 N ATOM 681 NH2 ARG A 47 17.529 -5.831 5.064 1.00 23.22 N ATOM 0 H ARG A 47 16.276 -10.655 0.919 1.00 32.31 H new ATOM 0 HA ARG A 47 19.090 -11.570 0.776 1.00 11.02 H new ATOM 0 HB2 ARG A 47 17.469 -10.310 3.021 1.00 43.33 H new ATOM 0 HB3 ARG A 47 19.030 -11.066 3.271 1.00 43.33 H new ATOM 0 HG2 ARG A 47 19.942 -9.054 2.848 1.00 15.11 H new ATOM 0 HG3 ARG A 47 19.531 -9.317 1.165 1.00 15.11 H new ATOM 0 HD2 ARG A 47 18.326 -7.404 1.367 1.00 64.11 H new ATOM 0 HD3 ARG A 47 17.122 -8.425 2.128 1.00 64.11 H new ATOM 0 HE ARG A 47 19.147 -7.382 3.984 1.00 24.23 H new ATOM 0 HH11 ARG A 47 16.034 -6.858 2.404 1.00 23.34 H new ATOM 0 HH12 ARG A 47 15.464 -5.734 3.642 1.00 23.34 H new ATOM 0 HH21 ARG A 47 18.407 -5.938 5.572 1.00 23.22 H new ATOM 0 HH22 ARG A 47 16.801 -5.215 5.427 1.00 23.22 H new ATOM 695 N PHE A 48 18.525 -13.851 1.518 1.00 51.35 N ATOM 696 CA PHE A 48 18.220 -15.217 1.924 1.00 35.52 C ATOM 697 C PHE A 48 19.177 -15.687 3.015 1.00 23.13 C ATOM 698 O PHE A 48 20.397 -15.615 2.859 1.00 35.53 O ATOM 699 CB PHE A 48 18.298 -16.160 0.721 1.00 13.42 C ATOM 700 CG PHE A 48 16.957 -16.489 0.129 1.00 0.33 C ATOM 701 CD1 PHE A 48 16.184 -17.511 0.657 1.00 42.42 C ATOM 702 CD2 PHE A 48 16.469 -15.776 -0.954 1.00 3.20 C ATOM 703 CE1 PHE A 48 14.951 -17.816 0.114 1.00 54.15 C ATOM 704 CE2 PHE A 48 15.236 -16.076 -1.501 1.00 61.23 C ATOM 705 CZ PHE A 48 14.475 -17.097 -0.966 1.00 24.00 C ATOM 0 H PHE A 48 19.387 -13.753 0.981 1.00 51.35 H new ATOM 0 HA PHE A 48 17.206 -15.232 2.323 1.00 35.52 H new ATOM 0 HB2 PHE A 48 18.924 -15.705 -0.047 1.00 13.42 H new ATOM 0 HB3 PHE A 48 18.789 -17.085 1.025 1.00 13.42 H new ATOM 0 HD1 PHE A 48 16.550 -18.075 1.502 1.00 42.42 H new ATOM 0 HD2 PHE A 48 17.059 -14.976 -1.376 1.00 3.20 H new ATOM 0 HE1 PHE A 48 14.359 -18.616 0.533 1.00 54.15 H new ATOM 0 HE2 PHE A 48 14.868 -15.513 -2.346 1.00 61.23 H new ATOM 0 HZ PHE A 48 13.510 -17.333 -1.391 1.00 24.00 H new ATOM 715 N TYR A 49 18.617 -16.167 4.120 1.00 55.32 N ATOM 716 CA TYR A 49 19.419 -16.645 5.239 1.00 65.42 C ATOM 717 C TYR A 49 18.809 -17.904 5.848 1.00 64.10 C ATOM 718 O TYR A 49 17.635 -17.922 6.216 1.00 42.23 O ATOM 719 CB TYR A 49 19.544 -15.557 6.307 1.00 61.44 C ATOM 720 CG TYR A 49 18.487 -14.481 6.201 1.00 20.51 C ATOM 721 CD1 TYR A 49 17.227 -14.661 6.760 1.00 44.32 C ATOM 722 CD2 TYR A 49 18.747 -13.286 5.542 1.00 21.40 C ATOM 723 CE1 TYR A 49 16.258 -13.681 6.665 1.00 1.14 C ATOM 724 CE2 TYR A 49 17.784 -12.301 5.444 1.00 4.50 C ATOM 725 CZ TYR A 49 16.542 -12.502 6.007 1.00 34.50 C ATOM 726 OH TYR A 49 15.579 -11.523 5.910 1.00 24.43 O ATOM 0 H TYR A 49 17.610 -16.235 4.264 1.00 55.32 H new ATOM 0 HA TYR A 49 20.412 -16.890 4.862 1.00 65.42 H new ATOM 0 HB2 TYR A 49 19.483 -16.018 7.293 1.00 61.44 H new ATOM 0 HB3 TYR A 49 20.529 -15.096 6.231 1.00 61.44 H new ATOM 0 HD1 TYR A 49 17.002 -15.582 7.277 1.00 44.32 H new ATOM 0 HD2 TYR A 49 19.719 -13.125 5.099 1.00 21.40 H new ATOM 0 HE1 TYR A 49 15.283 -13.837 7.103 1.00 1.14 H new ATOM 0 HE2 TYR A 49 18.003 -11.378 4.929 1.00 4.50 H new ATOM 0 HH TYR A 49 15.940 -10.757 5.417 1.00 24.43 H new ATOM 736 N GLU A 50 19.617 -18.955 5.952 1.00 40.15 N ATOM 737 CA GLU A 50 19.157 -20.218 6.516 1.00 61.31 C ATOM 738 C GLU A 50 19.569 -20.342 7.980 1.00 13.02 C ATOM 739 O GLU A 50 20.641 -20.861 8.293 1.00 14.43 O ATOM 740 CB GLU A 50 19.720 -21.395 5.716 1.00 53.24 C ATOM 741 CG GLU A 50 19.397 -22.751 6.319 1.00 30.42 C ATOM 742 CD GLU A 50 20.641 -23.539 6.682 1.00 73.44 C ATOM 743 OE1 GLU A 50 21.644 -23.437 5.946 1.00 42.13 O ATOM 744 OE2 GLU A 50 20.610 -24.259 7.702 1.00 1.32 O ATOM 0 H GLU A 50 20.592 -18.956 5.653 1.00 40.15 H new ATOM 0 HA GLU A 50 18.069 -20.236 6.459 1.00 61.31 H new ATOM 0 HB2 GLU A 50 19.325 -21.355 4.701 1.00 53.24 H new ATOM 0 HB3 GLU A 50 20.802 -21.288 5.642 1.00 53.24 H new ATOM 0 HG2 GLU A 50 18.786 -22.612 7.211 1.00 30.42 H new ATOM 0 HG3 GLU A 50 18.800 -23.327 5.611 1.00 30.42 H new ATOM 751 N TYR A 51 18.710 -19.861 8.872 1.00 31.43 N ATOM 752 CA TYR A 51 18.984 -19.915 10.303 1.00 5.23 C ATOM 753 C TYR A 51 17.933 -19.137 11.089 1.00 20.42 C ATOM 754 O TYR A 51 16.900 -18.745 10.545 1.00 4.23 O ATOM 755 CB TYR A 51 20.376 -19.353 10.598 1.00 23.02 C ATOM 756 CG TYR A 51 21.336 -20.377 11.160 1.00 63.32 C ATOM 757 CD1 TYR A 51 21.076 -21.014 12.367 1.00 4.31 C ATOM 758 CD2 TYR A 51 22.503 -20.709 10.482 1.00 21.41 C ATOM 759 CE1 TYR A 51 21.951 -21.949 12.884 1.00 21.51 C ATOM 760 CE2 TYR A 51 23.383 -21.645 10.991 1.00 71.21 C ATOM 761 CZ TYR A 51 23.103 -22.262 12.192 1.00 32.03 C ATOM 762 OH TYR A 51 23.976 -23.195 12.703 1.00 10.23 O ATOM 0 H TYR A 51 17.818 -19.429 8.629 1.00 31.43 H new ATOM 0 HA TYR A 51 18.946 -20.959 10.615 1.00 5.23 H new ATOM 0 HB2 TYR A 51 20.794 -18.941 9.680 1.00 23.02 H new ATOM 0 HB3 TYR A 51 20.283 -18.528 11.304 1.00 23.02 H new ATOM 0 HD1 TYR A 51 20.174 -20.774 12.910 1.00 4.31 H new ATOM 0 HD2 TYR A 51 22.726 -20.227 9.541 1.00 21.41 H new ATOM 0 HE1 TYR A 51 21.735 -22.433 13.825 1.00 21.51 H new ATOM 0 HE2 TYR A 51 24.285 -21.892 10.451 1.00 71.21 H new ATOM 0 HH TYR A 51 24.736 -23.300 12.093 1.00 10.23 H new ATOM 772 N ILE A 52 18.204 -18.919 12.371 1.00 2.34 N ATOM 773 CA ILE A 52 17.283 -18.187 13.232 1.00 25.05 C ATOM 774 C ILE A 52 17.235 -16.710 12.856 1.00 31.11 C ATOM 775 O ILE A 52 18.088 -16.219 12.118 1.00 0.13 O ATOM 776 CB ILE A 52 17.678 -18.315 14.716 1.00 50.43 C ATOM 777 CG1 ILE A 52 18.171 -19.732 15.015 1.00 44.33 C ATOM 778 CG2 ILE A 52 16.500 -17.959 15.610 1.00 54.53 C ATOM 779 CD1 ILE A 52 17.225 -20.813 14.542 1.00 22.24 C ATOM 0 H ILE A 52 19.053 -19.239 12.837 1.00 2.34 H new ATOM 0 HA ILE A 52 16.297 -18.628 13.087 1.00 25.05 H new ATOM 0 HB ILE A 52 18.490 -17.617 14.922 1.00 50.43 H new ATOM 0 HG12 ILE A 52 19.142 -19.878 14.542 1.00 44.33 H new ATOM 0 HG13 ILE A 52 18.321 -19.837 16.090 1.00 44.33 H new ATOM 0 HG21 ILE A 52 16.795 -18.054 16.655 1.00 54.53 H new ATOM 0 HG22 ILE A 52 16.190 -16.933 15.412 1.00 54.53 H new ATOM 0 HG23 ILE A 52 15.670 -18.635 15.404 1.00 54.53 H new ATOM 0 HD11 ILE A 52 17.639 -21.791 14.787 1.00 22.24 H new ATOM 0 HD12 ILE A 52 16.260 -20.693 15.035 1.00 22.24 H new ATOM 0 HD13 ILE A 52 17.094 -20.735 13.463 1.00 22.24 H new ATOM 791 N ASN A 53 16.231 -16.007 13.370 1.00 2.33 N ATOM 792 CA ASN A 53 16.072 -14.585 13.089 1.00 12.42 C ATOM 793 C ASN A 53 17.092 -13.759 13.867 1.00 50.31 C ATOM 794 O ASN A 53 16.729 -12.861 14.627 1.00 4.14 O ATOM 795 CB ASN A 53 14.654 -14.129 13.443 1.00 65.43 C ATOM 796 CG ASN A 53 13.632 -14.569 12.412 1.00 22.04 C ATOM 797 OD1 ASN A 53 13.477 -15.878 12.255 1.00 53.05 O flip ATOM 798 ND2 ASN A 53 12.990 -13.741 11.767 1.00 70.44 N flip ATOM 0 H ASN A 53 15.516 -16.399 13.983 1.00 2.33 H new ATOM 0 HA ASN A 53 16.242 -14.430 12.024 1.00 12.42 H new ATOM 0 HB2 ASN A 53 14.379 -14.531 14.418 1.00 65.43 H new ATOM 0 HB3 ASN A 53 14.635 -13.043 13.529 1.00 65.43 H new ATOM 0 HD21 ASN A 53 13.143 -12.744 11.921 1.00 70.44 H new ATOM 0 HD22 ASN A 53 12.305 -14.051 11.078 1.00 70.44 H new ATOM 805 N TYR A 54 18.369 -14.068 13.670 1.00 33.24 N ATOM 806 CA TYR A 54 19.442 -13.356 14.354 1.00 32.42 C ATOM 807 C TYR A 54 20.729 -13.395 13.536 1.00 11.20 C ATOM 808 O TYR A 54 21.464 -12.411 13.468 1.00 64.00 O ATOM 809 CB TYR A 54 19.685 -13.964 15.737 1.00 51.41 C ATOM 810 CG TYR A 54 18.507 -13.826 16.675 1.00 52.55 C ATOM 811 CD1 TYR A 54 18.209 -12.608 17.274 1.00 43.24 C ATOM 812 CD2 TYR A 54 17.690 -14.913 16.961 1.00 65.15 C ATOM 813 CE1 TYR A 54 17.134 -12.478 18.131 1.00 4.54 C ATOM 814 CE2 TYR A 54 16.613 -14.792 17.816 1.00 14.41 C ATOM 815 CZ TYR A 54 16.339 -13.572 18.399 1.00 30.14 C ATOM 816 OH TYR A 54 15.266 -13.446 19.252 1.00 5.02 O ATOM 0 H TYR A 54 18.686 -14.807 13.042 1.00 33.24 H new ATOM 0 HA TYR A 54 19.138 -12.316 14.470 1.00 32.42 H new ATOM 0 HB2 TYR A 54 19.926 -15.021 15.623 1.00 51.41 H new ATOM 0 HB3 TYR A 54 20.555 -13.486 16.187 1.00 51.41 H new ATOM 0 HD1 TYR A 54 18.829 -11.748 17.066 1.00 43.24 H new ATOM 0 HD2 TYR A 54 17.901 -15.870 16.506 1.00 65.15 H new ATOM 0 HE1 TYR A 54 16.917 -11.524 18.589 1.00 4.54 H new ATOM 0 HE2 TYR A 54 15.989 -15.647 18.027 1.00 14.41 H new ATOM 0 HH TYR A 54 14.809 -14.309 19.333 1.00 5.02 H new ATOM 826 N GLY A 55 20.994 -14.540 12.915 1.00 72.30 N ATOM 827 CA GLY A 55 22.191 -14.687 12.109 1.00 65.32 C ATOM 828 C GLY A 55 21.990 -15.627 10.937 1.00 54.14 C ATOM 829 O GLY A 55 20.926 -15.640 10.319 1.00 71.33 O ATOM 0 H GLY A 55 20.401 -15.369 12.956 1.00 72.30 H new ATOM 0 HA2 GLY A 55 22.497 -13.709 11.738 1.00 65.32 H new ATOM 0 HA3 GLY A 55 23.003 -15.059 12.734 1.00 65.32 H new ATOM 833 N GLY A 56 23.015 -16.415 10.628 1.00 2.00 N ATOM 834 CA GLY A 56 22.926 -17.350 9.522 1.00 51.24 C ATOM 835 C GLY A 56 23.735 -16.905 8.320 1.00 51.54 C ATOM 836 O GLY A 56 24.403 -15.871 8.361 1.00 71.32 O ATOM 0 H GLY A 56 23.906 -16.422 11.124 1.00 2.00 H new ATOM 0 HA2 GLY A 56 23.276 -18.329 9.849 1.00 51.24 H new ATOM 0 HA3 GLY A 56 21.882 -17.465 9.231 1.00 51.24 H new ATOM 840 N ARG A 57 23.677 -17.686 7.247 1.00 74.55 N ATOM 841 CA ARG A 57 24.412 -17.368 6.029 1.00 61.44 C ATOM 842 C ARG A 57 23.717 -16.256 5.249 1.00 61.35 C ATOM 843 O ARG A 57 22.654 -16.466 4.663 1.00 44.41 O ATOM 844 CB ARG A 57 24.549 -18.613 5.150 1.00 20.42 C ATOM 845 CG ARG A 57 25.169 -18.335 3.791 1.00 42.51 C ATOM 846 CD ARG A 57 24.204 -18.659 2.661 1.00 3.12 C ATOM 847 NE ARG A 57 24.877 -18.714 1.366 1.00 54.52 N ATOM 848 CZ ARG A 57 24.340 -19.263 0.282 1.00 51.51 C ATOM 849 NH1 ARG A 57 23.129 -19.801 0.337 1.00 4.33 N ATOM 850 NH2 ARG A 57 25.014 -19.273 -0.861 1.00 21.51 N ATOM 0 H ARG A 57 23.128 -18.544 7.196 1.00 74.55 H new ATOM 0 HA ARG A 57 25.405 -17.022 6.315 1.00 61.44 H new ATOM 0 HB2 ARG A 57 25.157 -19.351 5.673 1.00 20.42 H new ATOM 0 HB3 ARG A 57 23.563 -19.056 5.006 1.00 20.42 H new ATOM 0 HG2 ARG A 57 25.462 -17.287 3.731 1.00 42.51 H new ATOM 0 HG3 ARG A 57 26.077 -18.927 3.676 1.00 42.51 H new ATOM 0 HD2 ARG A 57 23.721 -19.616 2.860 1.00 3.12 H new ATOM 0 HD3 ARG A 57 23.417 -17.905 2.629 1.00 3.12 H new ATOM 0 HE ARG A 57 25.810 -18.309 1.290 1.00 54.52 H new ATOM 0 HH11 ARG A 57 22.607 -19.794 1.213 1.00 4.33 H new ATOM 0 HH12 ARG A 57 22.719 -20.222 -0.497 1.00 4.33 H new ATOM 0 HH21 ARG A 57 25.945 -18.859 -0.908 1.00 21.51 H new ATOM 0 HH22 ARG A 57 24.601 -19.695 -1.693 1.00 21.51 H new ATOM 864 N TYR A 58 24.324 -15.075 5.246 1.00 53.42 N ATOM 865 CA TYR A 58 23.762 -13.929 4.541 1.00 50.34 C ATOM 866 C TYR A 58 24.030 -14.027 3.042 1.00 54.32 C ATOM 867 O TYR A 58 25.124 -13.713 2.574 1.00 63.52 O ATOM 868 CB TYR A 58 24.348 -12.627 5.091 1.00 62.44 C ATOM 869 CG TYR A 58 24.070 -11.423 4.220 1.00 4.42 C ATOM 870 CD1 TYR A 58 22.827 -11.240 3.629 1.00 74.03 C ATOM 871 CD2 TYR A 58 25.052 -10.466 3.990 1.00 31.31 C ATOM 872 CE1 TYR A 58 22.569 -10.141 2.832 1.00 31.21 C ATOM 873 CE2 TYR A 58 24.803 -9.364 3.196 1.00 14.42 C ATOM 874 CZ TYR A 58 23.560 -9.206 2.619 1.00 12.20 C ATOM 875 OH TYR A 58 23.307 -8.109 1.827 1.00 34.13 O ATOM 0 H TYR A 58 25.205 -14.886 5.724 1.00 53.42 H new ATOM 0 HA TYR A 58 22.684 -13.930 4.700 1.00 50.34 H new ATOM 0 HB2 TYR A 58 23.941 -12.447 6.086 1.00 62.44 H new ATOM 0 HB3 TYR A 58 25.426 -12.742 5.204 1.00 62.44 H new ATOM 0 HD1 TYR A 58 22.048 -11.969 3.795 1.00 74.03 H new ATOM 0 HD2 TYR A 58 26.026 -10.587 4.440 1.00 31.31 H new ATOM 0 HE1 TYR A 58 21.597 -10.015 2.379 1.00 31.21 H new ATOM 0 HE2 TYR A 58 25.577 -8.630 3.028 1.00 14.42 H new ATOM 0 HH TYR A 58 23.315 -8.377 0.884 1.00 34.13 H new ATOM 885 N TRP A 59 23.022 -14.463 2.295 1.00 32.02 N ATOM 886 CA TRP A 59 23.147 -14.602 0.849 1.00 72.23 C ATOM 887 C TRP A 59 21.940 -14.001 0.138 1.00 54.44 C ATOM 888 O TRP A 59 20.845 -14.563 0.170 1.00 51.11 O ATOM 889 CB TRP A 59 23.296 -16.076 0.468 1.00 31.25 C ATOM 890 CG TRP A 59 22.774 -16.392 -0.900 1.00 70.35 C ATOM 891 CD1 TRP A 59 23.295 -15.976 -2.092 1.00 71.44 C ATOM 892 CD2 TRP A 59 21.628 -17.189 -1.218 1.00 32.54 C ATOM 893 NE1 TRP A 59 22.541 -16.467 -3.132 1.00 25.15 N ATOM 894 CE2 TRP A 59 21.514 -17.215 -2.621 1.00 74.04 C ATOM 895 CE3 TRP A 59 20.688 -17.886 -0.453 1.00 2.13 C ATOM 896 CZ2 TRP A 59 20.497 -17.908 -3.273 1.00 30.53 C ATOM 897 CZ3 TRP A 59 19.680 -18.573 -1.101 1.00 33.43 C ATOM 898 CH2 TRP A 59 19.591 -18.581 -2.499 1.00 73.40 C ATOM 0 H TRP A 59 22.109 -14.726 2.667 1.00 32.02 H new ATOM 0 HA TRP A 59 24.039 -14.060 0.533 1.00 72.23 H new ATOM 0 HB2 TRP A 59 24.349 -16.352 0.520 1.00 31.25 H new ATOM 0 HB3 TRP A 59 22.769 -16.688 1.200 1.00 31.25 H new ATOM 0 HD1 TRP A 59 24.170 -15.353 -2.202 1.00 71.44 H new ATOM 0 HE1 TRP A 59 22.718 -16.301 -4.123 1.00 25.15 H new ATOM 0 HE3 TRP A 59 20.749 -17.887 0.625 1.00 2.13 H new ATOM 0 HZ2 TRP A 59 20.426 -17.914 -4.351 1.00 30.53 H new ATOM 0 HZ3 TRP A 59 18.948 -19.113 -0.520 1.00 33.43 H new ATOM 0 HH2 TRP A 59 18.792 -19.129 -2.975 1.00 73.40 H new ATOM 909 N ASP A 60 22.146 -12.856 -0.504 1.00 1.23 N ATOM 910 CA ASP A 60 21.074 -12.179 -1.224 1.00 41.32 C ATOM 911 C ASP A 60 20.913 -12.756 -2.627 1.00 42.10 C ATOM 912 O ASP A 60 21.884 -13.199 -3.243 1.00 13.02 O ATOM 913 CB ASP A 60 21.355 -10.677 -1.306 1.00 35.40 C ATOM 914 CG ASP A 60 22.800 -10.376 -1.651 1.00 33.30 C ATOM 915 OD1 ASP A 60 23.195 -10.614 -2.812 1.00 30.13 O ATOM 916 OD2 ASP A 60 23.535 -9.902 -0.760 1.00 64.25 O ATOM 0 H ASP A 60 23.046 -12.377 -0.540 1.00 1.23 H new ATOM 0 HA ASP A 60 20.145 -12.338 -0.676 1.00 41.32 H new ATOM 0 HB2 ASP A 60 20.704 -10.229 -2.057 1.00 35.40 H new ATOM 0 HB3 ASP A 60 21.108 -10.212 -0.352 1.00 35.40 H new ATOM 921 N LEU A 61 19.682 -12.749 -3.126 1.00 43.35 N ATOM 922 CA LEU A 61 19.393 -13.273 -4.457 1.00 3.40 C ATOM 923 C LEU A 61 19.288 -12.143 -5.476 1.00 41.51 C ATOM 924 O LEU A 61 18.673 -11.110 -5.212 1.00 72.44 O ATOM 925 CB LEU A 61 18.094 -14.080 -4.438 1.00 2.13 C ATOM 926 CG LEU A 61 17.359 -14.201 -5.773 1.00 42.21 C ATOM 927 CD1 LEU A 61 18.190 -14.993 -6.770 1.00 64.30 C ATOM 928 CD2 LEU A 61 15.997 -14.851 -5.575 1.00 45.45 C ATOM 0 H LEU A 61 18.868 -12.387 -2.630 1.00 43.35 H new ATOM 0 HA LEU A 61 20.215 -13.926 -4.750 1.00 3.40 H new ATOM 0 HB2 LEU A 61 18.319 -15.084 -4.078 1.00 2.13 H new ATOM 0 HB3 LEU A 61 17.418 -13.625 -3.714 1.00 2.13 H new ATOM 0 HG LEU A 61 17.206 -13.199 -6.174 1.00 42.21 H new ATOM 0 HD11 LEU A 61 17.651 -15.069 -7.714 1.00 64.30 H new ATOM 0 HD12 LEU A 61 19.141 -14.486 -6.935 1.00 64.30 H new ATOM 0 HD13 LEU A 61 18.375 -15.993 -6.377 1.00 64.30 H new ATOM 0 HD21 LEU A 61 15.488 -14.929 -6.536 1.00 45.45 H new ATOM 0 HD22 LEU A 61 16.127 -15.847 -5.151 1.00 45.45 H new ATOM 0 HD23 LEU A 61 15.399 -14.243 -4.896 1.00 45.45 H new ATOM 940 N GLY A 62 19.892 -12.347 -6.643 1.00 52.51 N ATOM 941 CA GLY A 62 19.852 -11.337 -7.685 1.00 64.32 C ATOM 942 C GLY A 62 19.052 -11.782 -8.893 1.00 63.33 C ATOM 943 O GLY A 62 18.571 -12.913 -8.963 1.00 74.24 O ATOM 0 H GLY A 62 20.408 -13.193 -6.885 1.00 52.51 H new ATOM 0 HA2 GLY A 62 19.418 -10.421 -7.283 1.00 64.32 H new ATOM 0 HA3 GLY A 62 20.869 -11.098 -7.995 1.00 64.32 H new ATOM 947 N PRO A 63 18.900 -10.879 -9.873 1.00 11.54 N ATOM 948 CA PRO A 63 18.152 -11.161 -11.101 1.00 73.01 C ATOM 949 C PRO A 63 18.530 -12.505 -11.714 1.00 41.12 C ATOM 950 O PRO A 63 19.560 -12.628 -12.376 1.00 74.33 O ATOM 951 CB PRO A 63 18.555 -10.016 -12.033 1.00 54.42 C ATOM 952 CG PRO A 63 18.928 -8.899 -11.121 1.00 41.50 C ATOM 953 CD PRO A 63 19.447 -9.511 -9.856 1.00 72.42 C ATOM 0 HA PRO A 63 17.079 -11.223 -10.919 1.00 73.01 H new ATOM 0 HB2 PRO A 63 19.391 -10.301 -12.672 1.00 54.42 H new ATOM 0 HB3 PRO A 63 17.733 -9.733 -12.690 1.00 54.42 H new ATOM 0 HG2 PRO A 63 19.686 -8.265 -11.580 1.00 41.50 H new ATOM 0 HG3 PRO A 63 18.065 -8.266 -10.916 1.00 41.50 H new ATOM 0 HD2 PRO A 63 20.537 -9.517 -9.833 1.00 72.42 H new ATOM 0 HD3 PRO A 63 19.113 -8.958 -8.978 1.00 72.42 H new ATOM 961 N GLY A 64 17.690 -13.511 -11.489 1.00 52.44 N ATOM 962 CA GLY A 64 17.954 -14.832 -12.027 1.00 70.42 C ATOM 963 C GLY A 64 17.202 -15.921 -11.287 1.00 3.55 C ATOM 964 O GLY A 64 16.697 -15.696 -10.188 1.00 15.24 O ATOM 0 H GLY A 64 16.831 -13.434 -10.944 1.00 52.44 H new ATOM 0 HA2 GLY A 64 17.675 -14.854 -13.081 1.00 70.42 H new ATOM 0 HA3 GLY A 64 19.024 -15.035 -11.976 1.00 70.42 H new ATOM 968 N GLU A 65 17.128 -17.102 -11.891 1.00 33.55 N ATOM 969 CA GLU A 65 16.430 -18.228 -11.281 1.00 74.31 C ATOM 970 C GLU A 65 17.387 -19.390 -11.029 1.00 55.10 C ATOM 971 O GLU A 65 18.331 -19.606 -11.789 1.00 31.53 O ATOM 972 CB GLU A 65 15.277 -18.688 -12.177 1.00 1.33 C ATOM 973 CG GLU A 65 14.321 -19.650 -11.492 1.00 54.43 C ATOM 974 CD GLU A 65 13.509 -20.466 -12.479 1.00 70.21 C ATOM 975 OE1 GLU A 65 13.397 -20.042 -13.648 1.00 54.24 O ATOM 976 OE2 GLU A 65 12.986 -21.529 -12.083 1.00 3.43 O ATOM 0 H GLU A 65 17.542 -17.304 -12.801 1.00 33.55 H new ATOM 0 HA GLU A 65 16.028 -17.897 -10.324 1.00 74.31 H new ATOM 0 HB2 GLU A 65 14.720 -17.814 -12.515 1.00 1.33 H new ATOM 0 HB3 GLU A 65 15.687 -19.168 -13.066 1.00 1.33 H new ATOM 0 HG2 GLU A 65 14.888 -20.323 -10.849 1.00 54.43 H new ATOM 0 HG3 GLU A 65 13.645 -19.088 -10.848 1.00 54.43 H new ATOM 983 N TYR A 66 17.135 -20.133 -9.957 1.00 64.32 N ATOM 984 CA TYR A 66 17.976 -21.271 -9.602 1.00 55.13 C ATOM 985 C TYR A 66 17.147 -22.381 -8.963 1.00 23.23 C ATOM 986 O TYR A 66 16.245 -22.119 -8.168 1.00 11.41 O ATOM 987 CB TYR A 66 19.086 -20.833 -8.646 1.00 44.13 C ATOM 988 CG TYR A 66 18.696 -20.911 -7.188 1.00 14.42 C ATOM 989 CD1 TYR A 66 18.107 -19.828 -6.547 1.00 53.51 C ATOM 990 CD2 TYR A 66 18.915 -22.068 -6.451 1.00 14.15 C ATOM 991 CE1 TYR A 66 17.749 -19.894 -5.215 1.00 31.15 C ATOM 992 CE2 TYR A 66 18.559 -22.144 -5.118 1.00 14.12 C ATOM 993 CZ TYR A 66 17.977 -21.054 -4.504 1.00 74.33 C ATOM 994 OH TYR A 66 17.620 -21.125 -3.177 1.00 43.00 O ATOM 0 H TYR A 66 16.356 -19.968 -9.319 1.00 64.32 H new ATOM 0 HA TYR A 66 18.426 -21.658 -10.516 1.00 55.13 H new ATOM 0 HB2 TYR A 66 19.964 -21.457 -8.812 1.00 44.13 H new ATOM 0 HB3 TYR A 66 19.374 -19.808 -8.882 1.00 44.13 H new ATOM 0 HD1 TYR A 66 17.926 -18.918 -7.100 1.00 53.51 H new ATOM 0 HD2 TYR A 66 19.371 -22.923 -6.928 1.00 14.15 H new ATOM 0 HE1 TYR A 66 17.293 -19.042 -4.732 1.00 31.15 H new ATOM 0 HE2 TYR A 66 18.735 -23.052 -4.560 1.00 14.12 H new ATOM 0 HH TYR A 66 17.848 -22.010 -2.824 1.00 43.00 H new ATOM 1004 N SER A 67 17.462 -23.623 -9.316 1.00 21.43 N ATOM 1005 CA SER A 67 16.746 -24.775 -8.780 1.00 20.14 C ATOM 1006 C SER A 67 17.714 -25.769 -8.145 1.00 33.13 C ATOM 1007 O SER A 67 17.986 -26.831 -8.704 1.00 71.23 O ATOM 1008 CB SER A 67 15.943 -25.463 -9.885 1.00 40.03 C ATOM 1009 OG SER A 67 16.515 -25.218 -11.159 1.00 31.14 O ATOM 0 H SER A 67 18.208 -23.857 -9.971 1.00 21.43 H new ATOM 0 HA SER A 67 16.061 -24.419 -8.011 1.00 20.14 H new ATOM 0 HB2 SER A 67 15.908 -26.536 -9.699 1.00 40.03 H new ATOM 0 HB3 SER A 67 14.914 -25.103 -9.869 1.00 40.03 H new ATOM 0 HG SER A 67 15.985 -25.670 -11.848 1.00 31.14 H new ATOM 1015 N SER A 68 18.230 -25.416 -6.972 1.00 44.21 N ATOM 1016 CA SER A 68 19.171 -26.274 -6.261 1.00 40.05 C ATOM 1017 C SER A 68 18.432 -27.310 -5.420 1.00 61.43 C ATOM 1018 O SER A 68 17.277 -27.112 -5.044 1.00 31.30 O ATOM 1019 CB SER A 68 20.086 -25.434 -5.368 1.00 51.12 C ATOM 1020 OG SER A 68 21.017 -26.251 -4.680 1.00 11.01 O ATOM 0 H SER A 68 18.012 -24.542 -6.494 1.00 44.21 H new ATOM 0 HA SER A 68 19.778 -26.797 -7.000 1.00 40.05 H new ATOM 0 HB2 SER A 68 20.619 -24.702 -5.974 1.00 51.12 H new ATOM 0 HB3 SER A 68 19.486 -24.876 -4.649 1.00 51.12 H new ATOM 0 HG SER A 68 20.635 -26.530 -3.822 1.00 11.01 H new ATOM 1026 N VAL A 69 19.108 -28.418 -5.129 1.00 12.51 N ATOM 1027 CA VAL A 69 18.517 -29.486 -4.332 1.00 4.14 C ATOM 1028 C VAL A 69 19.583 -30.231 -3.536 1.00 62.10 C ATOM 1029 O VAL A 69 19.414 -31.402 -3.198 1.00 74.15 O ATOM 1030 CB VAL A 69 17.756 -30.491 -5.216 1.00 30.11 C ATOM 1031 CG1 VAL A 69 16.658 -29.788 -6.000 1.00 23.30 C ATOM 1032 CG2 VAL A 69 18.715 -31.209 -6.153 1.00 25.32 C ATOM 0 H VAL A 69 20.065 -28.599 -5.433 1.00 12.51 H new ATOM 0 HA VAL A 69 17.815 -29.016 -3.643 1.00 4.14 H new ATOM 0 HB VAL A 69 17.289 -31.235 -4.571 1.00 30.11 H new ATOM 0 HG11 VAL A 69 16.131 -30.514 -6.619 1.00 23.30 H new ATOM 0 HG12 VAL A 69 15.956 -29.324 -5.307 1.00 23.30 H new ATOM 0 HG13 VAL A 69 17.099 -29.021 -6.636 1.00 23.30 H new ATOM 0 HG21 VAL A 69 18.160 -31.915 -6.770 1.00 25.32 H new ATOM 0 HG22 VAL A 69 19.212 -30.480 -6.793 1.00 25.32 H new ATOM 0 HG23 VAL A 69 19.461 -31.747 -5.568 1.00 25.32 H new ATOM 1042 N GLU A 70 20.682 -29.543 -3.239 1.00 75.35 N ATOM 1043 CA GLU A 70 21.776 -30.141 -2.483 1.00 74.23 C ATOM 1044 C GLU A 70 22.976 -29.200 -2.426 1.00 74.22 C ATOM 1045 O GLU A 70 23.878 -29.377 -1.608 1.00 12.44 O ATOM 1046 CB GLU A 70 22.189 -31.475 -3.109 1.00 53.14 C ATOM 1047 CG GLU A 70 22.213 -31.452 -4.628 1.00 60.55 C ATOM 1048 CD GLU A 70 23.450 -32.116 -5.202 1.00 1.11 C ATOM 1049 OE1 GLU A 70 24.569 -31.708 -4.827 1.00 3.14 O ATOM 1050 OE2 GLU A 70 23.300 -33.042 -6.026 1.00 35.24 O ATOM 0 H GLU A 70 20.838 -28.572 -3.510 1.00 75.35 H new ATOM 0 HA GLU A 70 21.426 -30.318 -1.466 1.00 74.23 H new ATOM 0 HB2 GLU A 70 23.178 -31.748 -2.742 1.00 53.14 H new ATOM 0 HB3 GLU A 70 21.500 -32.252 -2.776 1.00 53.14 H new ATOM 0 HG2 GLU A 70 21.325 -31.956 -5.009 1.00 60.55 H new ATOM 0 HG3 GLU A 70 22.167 -30.419 -4.973 1.00 60.55 H new ATOM 1057 N SER A 71 22.978 -28.201 -3.302 1.00 44.43 N ATOM 1058 CA SER A 71 24.069 -27.234 -3.355 1.00 52.23 C ATOM 1059 C SER A 71 23.913 -26.179 -2.264 1.00 24.32 C ATOM 1060 O SER A 71 24.888 -25.557 -1.844 1.00 3.42 O ATOM 1061 CB SER A 71 24.115 -26.560 -4.728 1.00 71.22 C ATOM 1062 OG SER A 71 23.548 -25.262 -4.679 1.00 31.52 O ATOM 0 H SER A 71 22.237 -28.040 -3.984 1.00 44.43 H new ATOM 0 HA SER A 71 25.004 -27.769 -3.189 1.00 52.23 H new ATOM 0 HB2 SER A 71 25.148 -26.496 -5.071 1.00 71.22 H new ATOM 0 HB3 SER A 71 23.575 -27.169 -5.454 1.00 71.22 H new ATOM 0 HG SER A 71 22.571 -25.333 -4.655 1.00 31.52 H new ATOM 1068 N ALA A 72 22.680 -25.985 -1.809 1.00 51.21 N ATOM 1069 CA ALA A 72 22.396 -25.008 -0.765 1.00 53.34 C ATOM 1070 C ALA A 72 22.622 -25.603 0.620 1.00 5.22 C ATOM 1071 O ALA A 72 23.576 -25.246 1.311 1.00 32.31 O ATOM 1072 CB ALA A 72 20.968 -24.497 -0.895 1.00 44.23 C ATOM 0 H ALA A 72 21.862 -26.491 -2.147 1.00 51.21 H new ATOM 0 HA ALA A 72 23.083 -24.171 -0.889 1.00 53.34 H new ATOM 0 HB1 ALA A 72 20.769 -23.768 -0.109 1.00 44.23 H new ATOM 0 HB2 ALA A 72 20.838 -24.025 -1.869 1.00 44.23 H new ATOM 0 HB3 ALA A 72 20.273 -25.331 -0.800 1.00 44.23 H new ATOM 1078 N GLY A 73 21.739 -26.512 1.021 1.00 53.02 N ATOM 1079 CA GLY A 73 21.860 -27.141 2.323 1.00 61.11 C ATOM 1080 C GLY A 73 20.607 -27.894 2.722 1.00 33.41 C ATOM 1081 O GLY A 73 19.514 -27.326 2.746 1.00 65.32 O ATOM 0 H GLY A 73 20.941 -26.824 0.467 1.00 53.02 H new ATOM 0 HA2 GLY A 73 22.706 -27.829 2.314 1.00 61.11 H new ATOM 0 HA3 GLY A 73 22.077 -26.379 3.072 1.00 61.11 H new ATOM 1085 N ILE A 74 20.763 -29.176 3.035 1.00 61.34 N ATOM 1086 CA ILE A 74 19.634 -30.008 3.434 1.00 45.12 C ATOM 1087 C ILE A 74 19.873 -30.639 4.801 1.00 23.31 C ATOM 1088 O ILE A 74 20.040 -31.852 4.932 1.00 73.11 O ATOM 1089 CB ILE A 74 19.365 -31.123 2.406 1.00 44.21 C ATOM 1090 CG1 ILE A 74 19.655 -30.621 0.990 1.00 70.54 C ATOM 1091 CG2 ILE A 74 17.929 -31.611 2.518 1.00 53.44 C ATOM 1092 CD1 ILE A 74 18.866 -29.387 0.612 1.00 22.15 C ATOM 0 H ILE A 74 21.660 -29.661 3.020 1.00 61.34 H new ATOM 0 HA ILE A 74 18.763 -29.355 3.485 1.00 45.12 H new ATOM 0 HB ILE A 74 20.030 -31.961 2.617 1.00 44.21 H new ATOM 0 HG12 ILE A 74 20.719 -30.403 0.902 1.00 70.54 H new ATOM 0 HG13 ILE A 74 19.433 -31.416 0.279 1.00 70.54 H new ATOM 0 HG21 ILE A 74 17.754 -32.399 1.785 1.00 53.44 H new ATOM 0 HG22 ILE A 74 17.755 -32.003 3.520 1.00 53.44 H new ATOM 0 HG23 ILE A 74 17.247 -30.782 2.329 1.00 53.44 H new ATOM 0 HD11 ILE A 74 19.123 -29.088 -0.404 1.00 22.15 H new ATOM 0 HD12 ILE A 74 17.800 -29.606 0.668 1.00 22.15 H new ATOM 0 HD13 ILE A 74 19.106 -28.577 1.300 1.00 22.15 H new ATOM 1104 N PRO A 75 19.889 -29.799 5.846 1.00 2.23 N ATOM 1105 CA PRO A 75 20.104 -30.252 7.224 1.00 63.34 C ATOM 1106 C PRO A 75 18.843 -30.846 7.842 1.00 1.52 C ATOM 1107 O PRO A 75 17.875 -31.140 7.140 1.00 3.24 O ATOM 1108 CB PRO A 75 20.510 -28.973 7.959 1.00 13.42 C ATOM 1109 CG PRO A 75 19.852 -27.874 7.198 1.00 12.33 C ATOM 1110 CD PRO A 75 19.698 -28.341 5.764 1.00 32.11 C ATOM 0 HA PRO A 75 20.849 -31.046 7.281 1.00 63.34 H new ATOM 0 HB2 PRO A 75 20.177 -28.990 8.997 1.00 13.42 H new ATOM 0 HB3 PRO A 75 21.593 -28.851 7.973 1.00 13.42 H new ATOM 0 HG2 PRO A 75 18.880 -27.637 7.630 1.00 12.33 H new ATOM 0 HG3 PRO A 75 20.451 -26.965 7.243 1.00 12.33 H new ATOM 0 HD2 PRO A 75 18.716 -28.088 5.364 1.00 32.11 H new ATOM 0 HD3 PRO A 75 20.437 -27.877 5.111 1.00 32.11 H new ATOM 1118 N ASP A 76 18.861 -31.018 9.159 1.00 33.12 N ATOM 1119 CA ASP A 76 17.717 -31.575 9.873 1.00 63.03 C ATOM 1120 C ASP A 76 16.784 -30.468 10.352 1.00 2.45 C ATOM 1121 O ASP A 76 15.918 -30.694 11.196 1.00 23.43 O ATOM 1122 CB ASP A 76 18.190 -32.412 11.063 1.00 53.05 C ATOM 1123 CG ASP A 76 17.811 -33.874 10.929 1.00 52.20 C ATOM 1124 OD1 ASP A 76 16.625 -34.201 11.143 1.00 52.33 O ATOM 1125 OD2 ASP A 76 18.700 -34.691 10.612 1.00 64.13 O ATOM 0 H ASP A 76 19.655 -30.780 9.754 1.00 33.12 H new ATOM 0 HA ASP A 76 17.167 -32.216 9.184 1.00 63.03 H new ATOM 0 HB2 ASP A 76 19.273 -32.327 11.156 1.00 53.05 H new ATOM 0 HB3 ASP A 76 17.759 -32.010 11.980 1.00 53.05 H new ATOM 1130 N ASN A 77 16.968 -29.269 9.809 1.00 44.20 N ATOM 1131 CA ASN A 77 16.144 -28.125 10.183 1.00 61.21 C ATOM 1132 C ASN A 77 16.153 -27.066 9.085 1.00 70.02 C ATOM 1133 O ASN A 77 17.185 -26.455 8.806 1.00 74.23 O ATOM 1134 CB ASN A 77 16.642 -27.519 11.496 1.00 3.32 C ATOM 1135 CG ASN A 77 18.152 -27.577 11.624 1.00 63.11 C ATOM 1136 OD1 ASN A 77 18.699 -28.488 12.246 1.00 70.24 O ATOM 1137 ND2 ASN A 77 18.834 -26.602 11.034 1.00 11.33 N ATOM 0 H ASN A 77 17.680 -29.064 9.108 1.00 44.20 H new ATOM 0 HA ASN A 77 15.120 -28.475 10.317 1.00 61.21 H new ATOM 0 HB2 ASN A 77 16.314 -26.482 11.561 1.00 3.32 H new ATOM 0 HB3 ASN A 77 16.189 -28.050 12.333 1.00 3.32 H new ATOM 0 HD21 ASN A 77 19.853 -26.588 11.086 1.00 11.33 H new ATOM 0 HD22 ASN A 77 18.339 -25.867 10.529 1.00 11.33 H new ATOM 1144 N SER A 78 14.996 -26.854 8.466 1.00 41.53 N ATOM 1145 CA SER A 78 14.871 -25.870 7.396 1.00 71.50 C ATOM 1146 C SER A 78 14.440 -24.516 7.951 1.00 44.04 C ATOM 1147 O SER A 78 13.558 -23.859 7.397 1.00 1.25 O ATOM 1148 CB SER A 78 13.863 -26.350 6.350 1.00 52.33 C ATOM 1149 OG SER A 78 14.049 -27.723 6.054 1.00 35.11 O ATOM 0 H SER A 78 14.132 -27.350 8.686 1.00 41.53 H new ATOM 0 HA SER A 78 15.847 -25.755 6.924 1.00 71.50 H new ATOM 0 HB2 SER A 78 12.849 -26.188 6.716 1.00 52.33 H new ATOM 0 HB3 SER A 78 13.971 -25.761 5.439 1.00 52.33 H new ATOM 0 HG SER A 78 14.953 -27.862 5.702 1.00 35.11 H new ATOM 1155 N ILE A 79 15.070 -24.105 9.046 1.00 34.55 N ATOM 1156 CA ILE A 79 14.753 -22.829 9.676 1.00 61.42 C ATOM 1157 C ILE A 79 15.359 -21.667 8.897 1.00 43.00 C ATOM 1158 O ILE A 79 16.250 -20.974 9.389 1.00 61.32 O ATOM 1159 CB ILE A 79 15.259 -22.778 11.130 1.00 51.14 C ATOM 1160 CG1 ILE A 79 14.804 -24.022 11.895 1.00 22.22 C ATOM 1161 CG2 ILE A 79 14.763 -21.515 11.818 1.00 24.03 C ATOM 1162 CD1 ILE A 79 13.305 -24.106 12.075 1.00 33.43 C ATOM 0 H ILE A 79 15.803 -24.637 9.515 1.00 34.55 H new ATOM 0 HA ILE A 79 13.667 -22.737 9.675 1.00 61.42 H new ATOM 0 HB ILE A 79 16.349 -22.759 11.120 1.00 51.14 H new ATOM 0 HG12 ILE A 79 15.149 -24.910 11.366 1.00 22.22 H new ATOM 0 HG13 ILE A 79 15.281 -24.030 12.875 1.00 22.22 H new ATOM 0 HG21 ILE A 79 15.128 -21.493 12.845 1.00 24.03 H new ATOM 0 HG22 ILE A 79 15.132 -20.640 11.282 1.00 24.03 H new ATOM 0 HG23 ILE A 79 13.673 -21.506 11.820 1.00 24.03 H new ATOM 0 HD11 ILE A 79 13.055 -25.013 12.626 1.00 33.43 H new ATOM 0 HD12 ILE A 79 12.956 -23.236 12.631 1.00 33.43 H new ATOM 0 HD13 ILE A 79 12.822 -24.130 11.098 1.00 33.43 H new ATOM 1174 N SER A 80 14.869 -21.458 7.679 1.00 11.14 N ATOM 1175 CA SER A 80 15.364 -20.380 6.831 1.00 75.12 C ATOM 1176 C SER A 80 14.295 -19.309 6.636 1.00 42.53 C ATOM 1177 O SER A 80 13.132 -19.506 6.985 1.00 15.53 O ATOM 1178 CB SER A 80 15.802 -20.932 5.473 1.00 4.01 C ATOM 1179 OG SER A 80 16.303 -22.252 5.597 1.00 73.03 O ATOM 0 H SER A 80 14.130 -22.021 7.258 1.00 11.14 H new ATOM 0 HA SER A 80 16.223 -19.926 7.325 1.00 75.12 H new ATOM 0 HB2 SER A 80 14.958 -20.923 4.784 1.00 4.01 H new ATOM 0 HB3 SER A 80 16.569 -20.287 5.045 1.00 4.01 H new ATOM 0 HG SER A 80 16.575 -22.583 4.715 1.00 73.03 H new ATOM 1185 N SER A 81 14.700 -18.174 6.075 1.00 40.53 N ATOM 1186 CA SER A 81 13.780 -17.068 5.836 1.00 75.12 C ATOM 1187 C SER A 81 14.393 -16.046 4.883 1.00 20.52 C ATOM 1188 O SER A 81 15.614 -15.940 4.772 1.00 45.52 O ATOM 1189 CB SER A 81 13.408 -16.392 7.157 1.00 51.42 C ATOM 1190 OG SER A 81 12.037 -16.035 7.179 1.00 35.21 O ATOM 0 H SER A 81 15.659 -17.996 5.777 1.00 40.53 H new ATOM 0 HA SER A 81 12.878 -17.472 5.376 1.00 75.12 H new ATOM 0 HB2 SER A 81 13.625 -17.064 7.987 1.00 51.42 H new ATOM 0 HB3 SER A 81 14.021 -15.502 7.299 1.00 51.42 H new ATOM 0 HG SER A 81 11.824 -15.606 8.034 1.00 35.21 H new ATOM 1196 N PHE A 82 13.536 -15.297 4.197 1.00 21.25 N ATOM 1197 CA PHE A 82 13.992 -14.284 3.253 1.00 62.11 C ATOM 1198 C PHE A 82 12.982 -13.146 3.146 1.00 11.44 C ATOM 1199 O PHE A 82 11.776 -13.378 3.065 1.00 54.45 O ATOM 1200 CB PHE A 82 14.222 -14.908 1.875 1.00 53.13 C ATOM 1201 CG PHE A 82 12.952 -15.166 1.115 1.00 42.15 C ATOM 1202 CD1 PHE A 82 11.959 -15.969 1.651 1.00 12.13 C ATOM 1203 CD2 PHE A 82 12.752 -14.605 -0.136 1.00 61.05 C ATOM 1204 CE1 PHE A 82 10.790 -16.208 0.953 1.00 21.45 C ATOM 1205 CE2 PHE A 82 11.585 -14.841 -0.839 1.00 2.31 C ATOM 1206 CZ PHE A 82 10.603 -15.643 -0.293 1.00 15.45 C ATOM 0 H PHE A 82 12.522 -15.373 4.277 1.00 21.25 H new ATOM 0 HA PHE A 82 14.933 -13.877 3.622 1.00 62.11 H new ATOM 0 HB2 PHE A 82 14.860 -14.248 1.288 1.00 53.13 H new ATOM 0 HB3 PHE A 82 14.761 -15.848 1.996 1.00 53.13 H new ATOM 0 HD1 PHE A 82 12.100 -16.413 2.625 1.00 12.13 H new ATOM 0 HD2 PHE A 82 13.517 -13.976 -0.567 1.00 61.05 H new ATOM 0 HE1 PHE A 82 10.023 -16.836 1.382 1.00 21.45 H new ATOM 0 HE2 PHE A 82 11.442 -14.399 -1.814 1.00 2.31 H new ATOM 0 HZ PHE A 82 9.690 -15.828 -0.839 1.00 15.45 H new ATOM 1216 N ARG A 83 13.484 -11.915 3.149 1.00 73.02 N ATOM 1217 CA ARG A 83 12.626 -10.740 3.054 1.00 10.14 C ATOM 1218 C ARG A 83 12.525 -10.255 1.611 1.00 1.02 C ATOM 1219 O ARG A 83 13.538 -10.013 0.956 1.00 63.20 O ATOM 1220 CB ARG A 83 13.163 -9.617 3.944 1.00 32.55 C ATOM 1221 CG ARG A 83 13.103 -9.936 5.429 1.00 33.14 C ATOM 1222 CD ARG A 83 11.740 -9.602 6.016 1.00 3.32 C ATOM 1223 NE ARG A 83 11.810 -8.495 6.966 1.00 3.14 N ATOM 1224 CZ ARG A 83 12.319 -8.607 8.189 1.00 55.44 C ATOM 1225 NH1 ARG A 83 12.799 -9.769 8.607 1.00 62.44 N ATOM 1226 NH2 ARG A 83 12.347 -7.553 8.995 1.00 22.54 N ATOM 0 H ARG A 83 14.480 -11.706 3.216 1.00 73.02 H new ATOM 0 HA ARG A 83 11.630 -11.021 3.395 1.00 10.14 H new ATOM 0 HB2 ARG A 83 14.196 -9.408 3.667 1.00 32.55 H new ATOM 0 HB3 ARG A 83 12.592 -8.709 3.753 1.00 32.55 H new ATOM 0 HG2 ARG A 83 13.318 -10.993 5.584 1.00 33.14 H new ATOM 0 HG3 ARG A 83 13.875 -9.373 5.955 1.00 33.14 H new ATOM 0 HD2 ARG A 83 11.051 -9.346 5.211 1.00 3.32 H new ATOM 0 HD3 ARG A 83 11.334 -10.482 6.514 1.00 3.32 H new ATOM 0 HE ARG A 83 11.449 -7.586 6.675 1.00 3.14 H new ATOM 0 HH11 ARG A 83 12.779 -10.581 7.990 1.00 62.44 H new ATOM 0 HH12 ARG A 83 13.189 -9.852 9.546 1.00 62.44 H new ATOM 0 HH21 ARG A 83 11.978 -6.657 8.676 1.00 22.54 H new ATOM 0 HH22 ARG A 83 12.737 -7.639 9.933 1.00 22.54 H new ATOM 1240 N GLN A 84 11.296 -10.116 1.124 1.00 65.25 N ATOM 1241 CA GLN A 84 11.064 -9.662 -0.242 1.00 41.53 C ATOM 1242 C GLN A 84 11.213 -8.147 -0.345 1.00 22.23 C ATOM 1243 O GLN A 84 10.280 -7.401 -0.048 1.00 1.44 O ATOM 1244 CB GLN A 84 9.670 -10.082 -0.712 1.00 2.41 C ATOM 1245 CG GLN A 84 9.556 -11.564 -1.028 1.00 71.03 C ATOM 1246 CD GLN A 84 8.190 -12.129 -0.692 1.00 11.11 C ATOM 1247 OE1 GLN A 84 8.066 -13.036 0.132 1.00 50.40 O ATOM 1248 NE2 GLN A 84 7.155 -11.595 -1.329 1.00 53.43 N ATOM 0 H GLN A 84 10.447 -10.311 1.654 1.00 65.25 H new ATOM 0 HA GLN A 84 11.812 -10.127 -0.884 1.00 41.53 H new ATOM 0 HB2 GLN A 84 8.943 -9.826 0.059 1.00 2.41 H new ATOM 0 HB3 GLN A 84 9.407 -9.508 -1.601 1.00 2.41 H new ATOM 0 HG2 GLN A 84 9.760 -11.723 -2.087 1.00 71.03 H new ATOM 0 HG3 GLN A 84 10.318 -12.110 -0.471 1.00 71.03 H new ATOM 0 HE21 GLN A 84 7.303 -10.845 -2.004 1.00 53.43 H new ATOM 0 HE22 GLN A 84 6.211 -11.935 -1.143 1.00 53.43 H new ATOM 1257 N ILE A 85 12.392 -7.701 -0.766 1.00 54.12 N ATOM 1258 CA ILE A 85 12.662 -6.276 -0.908 1.00 52.41 C ATOM 1259 C ILE A 85 12.971 -5.916 -2.358 1.00 32.34 C ATOM 1260 O ILE A 85 14.111 -5.604 -2.702 1.00 31.34 O ATOM 1261 CB ILE A 85 13.840 -5.835 -0.019 1.00 52.44 C ATOM 1262 CG1 ILE A 85 14.949 -6.888 -0.046 1.00 43.11 C ATOM 1263 CG2 ILE A 85 13.366 -5.592 1.406 1.00 62.31 C ATOM 1264 CD1 ILE A 85 16.342 -6.298 -0.049 1.00 63.14 C ATOM 0 H ILE A 85 13.175 -8.306 -1.014 1.00 54.12 H new ATOM 0 HA ILE A 85 11.761 -5.751 -0.590 1.00 52.41 H new ATOM 0 HB ILE A 85 14.243 -4.901 -0.411 1.00 52.44 H new ATOM 0 HG12 ILE A 85 14.841 -7.540 0.821 1.00 43.11 H new ATOM 0 HG13 ILE A 85 14.825 -7.512 -0.931 1.00 43.11 H new ATOM 0 HG21 ILE A 85 14.210 -5.281 2.022 1.00 62.31 H new ATOM 0 HG22 ILE A 85 12.607 -4.810 1.409 1.00 62.31 H new ATOM 0 HG23 ILE A 85 12.941 -6.511 1.810 1.00 62.31 H new ATOM 0 HD11 ILE A 85 17.078 -7.102 -0.069 1.00 63.14 H new ATOM 0 HD12 ILE A 85 16.469 -5.669 -0.930 1.00 63.14 H new ATOM 0 HD13 ILE A 85 16.485 -5.698 0.849 1.00 63.14 H new TER 1276 ILE A 85