USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 783 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 66 SER OG : rot -103:sc= -0.0297 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 34 MET CE :methyl 163:sc= -0.0492 (180deg=-0.367) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 38 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.81) USER MOD Single : A 40 THR OG1 : rot -67:sc= 0.246 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.12) USER MOD Single : A 45 TYR OH : rot 13:sc= 0.724 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -39:sc= 0.554 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0098) USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0147 (180deg=-0.246) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.55 USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= -0.0108 (180deg=-0.111) USER MOD Single : A 81 HIS : no HD1:sc= -0.22 X(o=-0.22,f=-0.00045) USER MOD Single : A 82 ASN : amide:sc= 0.161 K(o=0.16,f=-7!) USER MOD Single : A 84 THR OG1 : rot 24:sc= 0.406 USER MOD Single : A 86 ASN : amide:sc= -1.7 K(o=-1.7,f=-5.1!) USER MOD Single : A 88 THR OG1 : rot 73:sc= 0.0568 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 74:sc= 0.748 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -31:sc= 1.16 USER MOD Single : A 112 LYS NZ :NH3+ 169:sc=-0.00319 (180deg=-0.101) USER MOD Single : A 122 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.8) USER MOD Single : A 123 SER OG : rot 180:sc= 0.131 USER MOD Single : A 130 HIS : no HD1:sc= -2.2! K(o=-2.2!,f=-0.94) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.74) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HE2:sc= -0.588 K(o=-0.59,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -25.219 8.400 -8.277 1.00 73.14 N ATOM 2 CA MET A 34 -25.218 7.942 -9.696 1.00 62.51 C ATOM 3 C MET A 34 -24.725 6.491 -9.811 1.00 52.34 C ATOM 4 O MET A 34 -23.565 6.247 -10.145 1.00 51.21 O ATOM 5 CB MET A 34 -24.354 8.875 -10.562 1.00 62.00 C ATOM 6 CG MET A 34 -24.799 10.332 -10.513 1.00 13.45 C ATOM 7 SD MET A 34 -23.757 11.427 -11.500 1.00 31.23 S ATOM 8 CE MET A 34 -24.071 10.813 -13.150 1.00 52.23 C ATOM 0 HA MET A 34 -26.244 7.978 -10.061 1.00 62.51 H new ATOM 0 HB2 MET A 34 -23.317 8.808 -10.232 1.00 62.00 H new ATOM 0 HB3 MET A 34 -24.382 8.529 -11.595 1.00 62.00 H new ATOM 0 HG2 MET A 34 -25.827 10.403 -10.867 1.00 13.45 H new ATOM 0 HG3 MET A 34 -24.794 10.672 -9.477 1.00 13.45 H new ATOM 0 HE1 MET A 34 -23.751 11.555 -13.881 1.00 52.23 H new ATOM 0 HE2 MET A 34 -23.516 9.888 -13.306 1.00 52.23 H new ATOM 0 HE3 MET A 34 -25.137 10.621 -13.270 1.00 52.23 H new ATOM 20 N ASP A 35 -25.616 5.538 -9.508 1.00 43.50 N ATOM 21 CA ASP A 35 -25.292 4.102 -9.532 1.00 14.32 C ATOM 22 C ASP A 35 -24.062 3.765 -8.665 1.00 20.11 C ATOM 23 O ASP A 35 -23.757 4.470 -7.701 1.00 13.14 O ATOM 24 CB ASP A 35 -25.093 3.634 -10.982 1.00 22.23 C ATOM 25 CG ASP A 35 -26.368 3.758 -11.795 1.00 15.12 C ATOM 26 OD1 ASP A 35 -27.368 3.090 -11.446 1.00 3.50 O ATOM 27 OD2 ASP A 35 -26.390 4.533 -12.772 1.00 71.44 O ATOM 0 H ASP A 35 -26.580 5.738 -9.240 1.00 43.50 H new ATOM 0 HA ASP A 35 -26.134 3.563 -9.097 1.00 14.32 H new ATOM 0 HB2 ASP A 35 -24.305 4.225 -11.449 1.00 22.23 H new ATOM 0 HB3 ASP A 35 -24.759 2.597 -10.986 1.00 22.23 H new ATOM 32 N THR A 36 -23.388 2.659 -8.980 1.00 4.40 N ATOM 33 CA THR A 36 -22.176 2.268 -8.245 1.00 12.22 C ATOM 34 C THR A 36 -20.989 3.181 -8.600 1.00 14.05 C ATOM 35 O THR A 36 -20.606 3.305 -9.766 1.00 22.51 O ATOM 36 CB THR A 36 -21.788 0.786 -8.498 1.00 2.01 C ATOM 37 OG1 THR A 36 -20.575 0.463 -7.796 1.00 4.11 O ATOM 38 CG2 THR A 36 -21.618 0.491 -9.988 1.00 22.23 C ATOM 0 H THR A 36 -23.654 2.021 -9.730 1.00 4.40 H new ATOM 0 HA THR A 36 -22.409 2.381 -7.186 1.00 12.22 H new ATOM 0 HB THR A 36 -22.602 0.166 -8.124 1.00 2.01 H new ATOM 0 HG1 THR A 36 -20.341 -0.474 -7.961 1.00 4.11 H new ATOM 0 HG21 THR A 36 -21.347 -0.556 -10.123 1.00 22.23 H new ATOM 0 HG22 THR A 36 -22.554 0.693 -10.508 1.00 22.23 H new ATOM 0 HG23 THR A 36 -20.832 1.125 -10.397 1.00 22.23 H new ATOM 46 N ASN A 37 -20.411 3.817 -7.584 1.00 2.13 N ATOM 47 CA ASN A 37 -19.329 4.797 -7.776 1.00 2.03 C ATOM 48 C ASN A 37 -17.954 4.130 -7.972 1.00 22.20 C ATOM 49 O ASN A 37 -16.936 4.647 -7.508 1.00 74.23 O ATOM 50 CB ASN A 37 -19.280 5.744 -6.571 1.00 32.22 C ATOM 51 CG ASN A 37 -20.546 6.575 -6.424 1.00 65.33 C ATOM 52 OD1 ASN A 37 -21.641 6.141 -6.769 1.00 24.34 O ATOM 53 ND2 ASN A 37 -20.406 7.778 -5.909 1.00 34.41 N ATOM 0 H ASN A 37 -20.672 3.674 -6.609 1.00 2.13 H new ATOM 0 HA ASN A 37 -19.548 5.353 -8.688 1.00 2.03 H new ATOM 0 HB2 ASN A 37 -19.125 5.162 -5.663 1.00 32.22 H new ATOM 0 HB3 ASN A 37 -18.423 6.410 -6.672 1.00 32.22 H new ATOM 0 HD21 ASN A 37 -21.221 8.379 -5.787 1.00 34.41 H new ATOM 0 HD22 ASN A 37 -19.482 8.110 -5.632 1.00 34.41 H new ATOM 60 N ASN A 38 -17.929 3.002 -8.686 1.00 63.41 N ATOM 61 CA ASN A 38 -16.692 2.252 -8.938 1.00 34.42 C ATOM 62 C ASN A 38 -15.913 2.007 -7.630 1.00 13.22 C ATOM 63 O ASN A 38 -14.785 2.481 -7.461 1.00 51.52 O ATOM 64 CB ASN A 38 -15.813 2.994 -9.960 1.00 24.12 C ATOM 65 CG ASN A 38 -14.656 2.142 -10.458 1.00 13.13 C ATOM 66 OD1 ASN A 38 -14.773 0.929 -10.588 1.00 21.30 O ATOM 67 ND2 ASN A 38 -13.533 2.769 -10.743 1.00 60.12 N ATOM 0 H ASN A 38 -18.760 2.583 -9.104 1.00 63.41 H new ATOM 0 HA ASN A 38 -16.964 1.281 -9.352 1.00 34.42 H new ATOM 0 HB2 ASN A 38 -16.426 3.300 -10.808 1.00 24.12 H new ATOM 0 HB3 ASN A 38 -15.421 3.904 -9.505 1.00 24.12 H new ATOM 0 HD21 ASN A 38 -12.728 2.244 -11.083 1.00 60.12 H new ATOM 0 HD22 ASN A 38 -13.469 3.780 -10.624 1.00 60.12 H new ATOM 74 N PHE A 39 -16.539 1.291 -6.696 1.00 72.22 N ATOM 75 CA PHE A 39 -15.906 0.971 -5.410 1.00 55.35 C ATOM 76 C PHE A 39 -14.610 0.171 -5.603 1.00 52.43 C ATOM 77 O PHE A 39 -14.631 -1.034 -5.850 1.00 33.01 O ATOM 78 CB PHE A 39 -16.885 0.213 -4.498 1.00 4.21 C ATOM 79 CG PHE A 39 -17.959 1.098 -3.925 1.00 40.40 C ATOM 80 CD1 PHE A 39 -18.981 1.582 -4.729 1.00 15.13 C ATOM 81 CD2 PHE A 39 -17.935 1.460 -2.586 1.00 53.13 C ATOM 82 CE1 PHE A 39 -19.954 2.411 -4.210 1.00 5.53 C ATOM 83 CE2 PHE A 39 -18.908 2.284 -2.061 1.00 33.40 C ATOM 84 CZ PHE A 39 -19.917 2.763 -2.876 1.00 42.51 C ATOM 0 H PHE A 39 -17.483 0.920 -6.803 1.00 72.22 H new ATOM 0 HA PHE A 39 -15.642 1.912 -4.927 1.00 55.35 H new ATOM 0 HB2 PHE A 39 -17.350 -0.594 -5.064 1.00 4.21 H new ATOM 0 HB3 PHE A 39 -16.329 -0.250 -3.682 1.00 4.21 H new ATOM 0 HD1 PHE A 39 -19.015 1.307 -5.773 1.00 15.13 H new ATOM 0 HD2 PHE A 39 -17.145 1.092 -1.948 1.00 53.13 H new ATOM 0 HE1 PHE A 39 -20.743 2.784 -4.846 1.00 5.53 H new ATOM 0 HE2 PHE A 39 -18.882 2.555 -1.016 1.00 33.40 H new ATOM 0 HZ PHE A 39 -20.677 3.413 -2.468 1.00 42.51 H new ATOM 94 N THR A 40 -13.486 0.875 -5.506 1.00 24.32 N ATOM 95 CA THR A 40 -12.157 0.288 -5.706 1.00 71.13 C ATOM 96 C THR A 40 -11.158 0.838 -4.683 1.00 35.13 C ATOM 97 O THR A 40 -11.324 1.946 -4.163 1.00 15.22 O ATOM 98 CB THR A 40 -11.618 0.570 -7.134 1.00 22.50 C ATOM 99 OG1 THR A 40 -11.724 1.972 -7.439 1.00 32.21 O ATOM 100 CG2 THR A 40 -12.374 -0.240 -8.185 1.00 43.51 C ATOM 0 H THR A 40 -13.467 1.871 -5.286 1.00 24.32 H new ATOM 0 HA THR A 40 -12.264 -0.789 -5.573 1.00 71.13 H new ATOM 0 HB THR A 40 -10.570 0.270 -7.157 1.00 22.50 H new ATOM 0 HG1 THR A 40 -12.669 2.223 -7.501 1.00 32.21 H new ATOM 0 HG21 THR A 40 -11.972 -0.019 -9.174 1.00 43.51 H new ATOM 0 HG22 THR A 40 -12.260 -1.304 -7.976 1.00 43.51 H new ATOM 0 HG23 THR A 40 -13.431 0.024 -8.156 1.00 43.51 H new ATOM 108 N VAL A 41 -10.126 0.056 -4.389 1.00 64.32 N ATOM 109 CA VAL A 41 -9.108 0.449 -3.409 1.00 63.14 C ATOM 110 C VAL A 41 -7.719 0.560 -4.048 1.00 43.43 C ATOM 111 O VAL A 41 -7.158 -0.430 -4.515 1.00 35.42 O ATOM 112 CB VAL A 41 -9.050 -0.560 -2.236 1.00 32.43 C ATOM 113 CG1 VAL A 41 -7.923 -0.208 -1.260 1.00 1.01 C ATOM 114 CG2 VAL A 41 -10.400 -0.619 -1.521 1.00 74.43 C ATOM 0 H VAL A 41 -9.968 -0.858 -4.814 1.00 64.32 H new ATOM 0 HA VAL A 41 -9.397 1.429 -3.030 1.00 63.14 H new ATOM 0 HB VAL A 41 -8.833 -1.548 -2.643 1.00 32.43 H new ATOM 0 HG11 VAL A 41 -7.906 -0.933 -0.447 1.00 1.01 H new ATOM 0 HG12 VAL A 41 -6.968 -0.229 -1.785 1.00 1.01 H new ATOM 0 HG13 VAL A 41 -8.092 0.789 -0.853 1.00 1.01 H new ATOM 0 HG21 VAL A 41 -10.345 -1.332 -0.699 1.00 74.43 H new ATOM 0 HG22 VAL A 41 -10.648 0.368 -1.130 1.00 74.43 H new ATOM 0 HG23 VAL A 41 -11.171 -0.935 -2.224 1.00 74.43 H new ATOM 124 N LYS A 42 -7.162 1.764 -4.063 1.00 3.24 N ATOM 125 CA LYS A 42 -5.818 1.972 -4.603 1.00 41.12 C ATOM 126 C LYS A 42 -4.751 1.634 -3.561 1.00 13.33 C ATOM 127 O LYS A 42 -4.841 2.054 -2.409 1.00 10.31 O ATOM 128 CB LYS A 42 -5.613 3.424 -5.042 1.00 3.11 C ATOM 129 CG LYS A 42 -4.289 3.638 -5.781 1.00 71.12 C ATOM 130 CD LYS A 42 -3.751 5.058 -5.616 1.00 44.35 C ATOM 131 CE LYS A 42 -2.663 5.367 -6.638 1.00 14.23 C ATOM 132 NZ LYS A 42 -2.309 6.811 -6.674 1.00 74.44 N ATOM 0 H LYS A 42 -7.613 2.608 -3.711 1.00 3.24 H new ATOM 0 HA LYS A 42 -5.720 1.312 -5.465 1.00 41.12 H new ATOM 0 HB2 LYS A 42 -6.438 3.723 -5.689 1.00 3.11 H new ATOM 0 HB3 LYS A 42 -5.644 4.072 -4.166 1.00 3.11 H new ATOM 0 HG2 LYS A 42 -3.550 2.927 -5.410 1.00 71.12 H new ATOM 0 HG3 LYS A 42 -4.430 3.427 -6.841 1.00 71.12 H new ATOM 0 HD2 LYS A 42 -4.567 5.772 -5.725 1.00 44.35 H new ATOM 0 HD3 LYS A 42 -3.352 5.182 -4.609 1.00 44.35 H new ATOM 0 HE2 LYS A 42 -1.773 4.784 -6.404 1.00 14.23 H new ATOM 0 HE3 LYS A 42 -2.998 5.054 -7.627 1.00 14.23 H new ATOM 0 HZ1 LYS A 42 -1.795 7.021 -7.554 1.00 74.44 H new ATOM 0 HZ2 LYS A 42 -3.177 7.382 -6.636 1.00 74.44 H new ATOM 0 HZ3 LYS A 42 -1.707 7.041 -5.858 1.00 74.44 H new ATOM 146 N VAL A 43 -3.735 0.893 -3.969 1.00 40.33 N ATOM 147 CA VAL A 43 -2.609 0.597 -3.092 1.00 3.41 C ATOM 148 C VAL A 43 -1.353 1.348 -3.554 1.00 14.33 C ATOM 149 O VAL A 43 -0.810 1.074 -4.627 1.00 1.15 O ATOM 150 CB VAL A 43 -2.313 -0.920 -3.042 1.00 24.21 C ATOM 151 CG1 VAL A 43 -1.291 -1.229 -1.952 1.00 75.12 C ATOM 152 CG2 VAL A 43 -3.598 -1.717 -2.830 1.00 34.03 C ATOM 0 H VAL A 43 -3.664 0.484 -4.901 1.00 40.33 H new ATOM 0 HA VAL A 43 -2.882 0.929 -2.090 1.00 3.41 H new ATOM 0 HB VAL A 43 -1.889 -1.219 -4.000 1.00 24.21 H new ATOM 0 HG11 VAL A 43 -1.094 -2.301 -1.931 1.00 75.12 H new ATOM 0 HG12 VAL A 43 -0.364 -0.694 -2.160 1.00 75.12 H new ATOM 0 HG13 VAL A 43 -1.683 -0.913 -0.985 1.00 75.12 H new ATOM 0 HG21 VAL A 43 -3.365 -2.781 -2.798 1.00 34.03 H new ATOM 0 HG22 VAL A 43 -4.060 -1.418 -1.889 1.00 34.03 H new ATOM 0 HG23 VAL A 43 -4.287 -1.521 -3.651 1.00 34.03 H new ATOM 162 N GLU A 44 -0.907 2.302 -2.743 1.00 71.53 N ATOM 163 CA GLU A 44 0.323 3.050 -3.025 1.00 55.31 C ATOM 164 C GLU A 44 1.500 2.546 -2.169 1.00 32.00 C ATOM 165 O GLU A 44 1.352 2.265 -0.980 1.00 71.50 O ATOM 166 CB GLU A 44 0.102 4.542 -2.740 1.00 53.10 C ATOM 167 CG GLU A 44 -1.180 5.102 -3.336 1.00 40.14 C ATOM 168 CD GLU A 44 -1.302 6.606 -3.148 1.00 34.35 C ATOM 169 OE1 GLU A 44 -1.288 7.072 -1.988 1.00 55.21 O ATOM 170 OE2 GLU A 44 -1.416 7.329 -4.158 1.00 1.53 O ATOM 0 H GLU A 44 -1.377 2.579 -1.882 1.00 71.53 H new ATOM 0 HA GLU A 44 0.569 2.898 -4.076 1.00 55.31 H new ATOM 0 HB2 GLU A 44 0.087 4.697 -1.661 1.00 53.10 H new ATOM 0 HB3 GLU A 44 0.949 5.106 -3.131 1.00 53.10 H new ATOM 0 HG2 GLU A 44 -1.214 4.868 -4.400 1.00 40.14 H new ATOM 0 HG3 GLU A 44 -2.036 4.611 -2.874 1.00 40.14 H new ATOM 177 N TYR A 45 2.673 2.442 -2.789 1.00 51.14 N ATOM 178 CA TYR A 45 3.887 2.010 -2.094 1.00 5.45 C ATOM 179 C TYR A 45 4.884 3.169 -2.043 1.00 61.11 C ATOM 180 O TYR A 45 5.517 3.496 -3.049 1.00 74.14 O ATOM 181 CB TYR A 45 4.508 0.803 -2.809 1.00 40.50 C ATOM 182 CG TYR A 45 3.535 -0.343 -3.017 1.00 44.03 C ATOM 183 CD1 TYR A 45 2.714 -0.385 -4.141 1.00 75.22 C ATOM 184 CD2 TYR A 45 3.434 -1.379 -2.095 1.00 22.33 C ATOM 185 CE1 TYR A 45 1.824 -1.421 -4.337 1.00 65.42 C ATOM 186 CE2 TYR A 45 2.543 -2.421 -2.286 1.00 65.42 C ATOM 187 CZ TYR A 45 1.741 -2.436 -3.409 1.00 43.33 C ATOM 188 OH TYR A 45 0.854 -3.472 -3.608 1.00 21.51 O ATOM 0 H TYR A 45 2.811 2.652 -3.778 1.00 51.14 H new ATOM 0 HA TYR A 45 3.632 1.712 -1.077 1.00 5.45 H new ATOM 0 HB2 TYR A 45 4.893 1.123 -3.777 1.00 40.50 H new ATOM 0 HB3 TYR A 45 5.359 0.446 -2.230 1.00 40.50 H new ATOM 0 HD1 TYR A 45 2.775 0.407 -4.872 1.00 75.22 H new ATOM 0 HD2 TYR A 45 4.061 -1.371 -1.216 1.00 22.33 H new ATOM 0 HE1 TYR A 45 1.195 -1.436 -5.215 1.00 65.42 H new ATOM 0 HE2 TYR A 45 2.476 -3.218 -1.560 1.00 65.42 H new ATOM 0 HH TYR A 45 0.521 -3.445 -4.529 1.00 21.51 H new ATOM 198 N VAL A 46 5.018 3.790 -0.876 1.00 32.13 N ATOM 199 CA VAL A 46 5.768 5.043 -0.749 1.00 22.41 C ATOM 200 C VAL A 46 6.955 4.906 0.217 1.00 63.45 C ATOM 201 O VAL A 46 7.019 3.969 1.013 1.00 33.21 O ATOM 202 CB VAL A 46 4.837 6.186 -0.261 1.00 33.43 C ATOM 203 CG1 VAL A 46 3.653 6.378 -1.217 1.00 50.34 C ATOM 204 CG2 VAL A 46 4.340 5.906 1.154 1.00 24.21 C ATOM 0 H VAL A 46 4.618 3.449 -0.002 1.00 32.13 H new ATOM 0 HA VAL A 46 6.159 5.283 -1.738 1.00 22.41 H new ATOM 0 HB VAL A 46 5.416 7.109 -0.249 1.00 33.43 H new ATOM 0 HG11 VAL A 46 3.017 7.184 -0.851 1.00 50.34 H new ATOM 0 HG12 VAL A 46 4.024 6.631 -2.210 1.00 50.34 H new ATOM 0 HG13 VAL A 46 3.075 5.456 -1.270 1.00 50.34 H new ATOM 0 HG21 VAL A 46 3.689 6.718 1.478 1.00 24.21 H new ATOM 0 HG22 VAL A 46 3.784 4.969 1.165 1.00 24.21 H new ATOM 0 HG23 VAL A 46 5.191 5.831 1.831 1.00 24.21 H new ATOM 214 N ASP A 47 7.897 5.840 0.136 1.00 22.32 N ATOM 215 CA ASP A 47 9.079 5.821 1.000 1.00 65.55 C ATOM 216 C ASP A 47 8.822 6.542 2.336 1.00 74.11 C ATOM 217 O ASP A 47 7.693 6.931 2.645 1.00 53.20 O ATOM 218 CB ASP A 47 10.286 6.446 0.272 1.00 73.23 C ATOM 219 CG ASP A 47 10.057 7.878 -0.203 1.00 33.40 C ATOM 220 OD1 ASP A 47 9.159 8.562 0.333 1.00 34.41 O ATOM 221 OD2 ASP A 47 10.806 8.332 -1.094 1.00 62.24 O ATOM 0 H ASP A 47 7.868 6.622 -0.519 1.00 22.32 H new ATOM 0 HA ASP A 47 9.304 4.779 1.229 1.00 65.55 H new ATOM 0 HB2 ASP A 47 11.147 6.430 0.940 1.00 73.23 H new ATOM 0 HB3 ASP A 47 10.538 5.826 -0.588 1.00 73.23 H new ATOM 226 N ALA A 48 9.881 6.724 3.119 1.00 73.42 N ATOM 227 CA ALA A 48 9.782 7.398 4.413 1.00 33.25 C ATOM 228 C ALA A 48 9.663 8.928 4.276 1.00 3.45 C ATOM 229 O ALA A 48 9.580 9.642 5.279 1.00 25.42 O ATOM 230 CB ALA A 48 10.984 7.034 5.276 1.00 40.05 C ATOM 0 H ALA A 48 10.823 6.413 2.880 1.00 73.42 H new ATOM 0 HA ALA A 48 8.866 7.053 4.892 1.00 33.25 H new ATOM 0 HB1 ALA A 48 10.906 7.538 6.239 1.00 40.05 H new ATOM 0 HB2 ALA A 48 11.007 5.955 5.432 1.00 40.05 H new ATOM 0 HB3 ALA A 48 11.900 7.348 4.775 1.00 40.05 H new ATOM 236 N ASP A 49 9.662 9.427 3.040 1.00 42.04 N ATOM 237 CA ASP A 49 9.500 10.861 2.776 1.00 4.22 C ATOM 238 C ASP A 49 8.089 11.176 2.244 1.00 3.22 C ATOM 239 O ASP A 49 7.696 12.342 2.141 1.00 23.22 O ATOM 240 CB ASP A 49 10.570 11.341 1.786 1.00 14.32 C ATOM 241 CG ASP A 49 11.973 11.224 2.361 1.00 43.43 C ATOM 242 OD1 ASP A 49 12.270 11.925 3.354 1.00 3.35 O ATOM 243 OD2 ASP A 49 12.785 10.437 1.830 1.00 64.54 O ATOM 0 H ASP A 49 9.772 8.858 2.201 1.00 42.04 H new ATOM 0 HA ASP A 49 9.626 11.396 3.718 1.00 4.22 H new ATOM 0 HB2 ASP A 49 10.504 10.755 0.869 1.00 14.32 H new ATOM 0 HB3 ASP A 49 10.374 12.379 1.516 1.00 14.32 H new ATOM 248 N GLY A 50 7.331 10.136 1.905 1.00 4.03 N ATOM 249 CA GLY A 50 5.946 10.317 1.476 1.00 25.22 C ATOM 250 C GLY A 50 5.762 10.269 -0.039 1.00 25.35 C ATOM 251 O GLY A 50 4.707 10.645 -0.551 1.00 3.13 O ATOM 0 H GLY A 50 7.649 9.167 1.918 1.00 4.03 H new ATOM 0 HA2 GLY A 50 5.329 9.543 1.933 1.00 25.22 H new ATOM 0 HA3 GLY A 50 5.582 11.275 1.847 1.00 25.22 H new ATOM 255 N ALA A 51 6.781 9.805 -0.755 1.00 31.34 N ATOM 256 CA ALA A 51 6.706 9.677 -2.219 1.00 24.23 C ATOM 257 C ALA A 51 6.663 8.211 -2.638 1.00 21.23 C ATOM 258 O ALA A 51 7.429 7.384 -2.147 1.00 5.50 O ATOM 259 CB ALA A 51 7.882 10.381 -2.885 1.00 24.34 C ATOM 0 H ALA A 51 7.671 9.510 -0.352 1.00 31.34 H new ATOM 0 HA ALA A 51 5.784 10.156 -2.548 1.00 24.23 H new ATOM 0 HB1 ALA A 51 7.805 10.273 -3.967 1.00 24.34 H new ATOM 0 HB2 ALA A 51 7.868 11.439 -2.624 1.00 24.34 H new ATOM 0 HB3 ALA A 51 8.815 9.935 -2.541 1.00 24.34 H new ATOM 265 N GLU A 52 5.760 7.895 -3.549 1.00 64.13 N ATOM 266 CA GLU A 52 5.581 6.524 -4.007 1.00 22.05 C ATOM 267 C GLU A 52 6.754 6.061 -4.871 1.00 12.34 C ATOM 268 O GLU A 52 7.103 6.683 -5.874 1.00 12.05 O ATOM 269 CB GLU A 52 4.275 6.380 -4.767 1.00 64.05 C ATOM 270 CG GLU A 52 4.142 7.350 -5.919 1.00 42.35 C ATOM 271 CD GLU A 52 3.489 8.675 -5.539 1.00 42.32 C ATOM 272 OE1 GLU A 52 2.242 8.728 -5.459 1.00 42.13 O ATOM 273 OE2 GLU A 52 4.216 9.666 -5.323 1.00 3.22 O ATOM 0 H GLU A 52 5.136 8.571 -3.989 1.00 64.13 H new ATOM 0 HA GLU A 52 5.546 5.886 -3.124 1.00 22.05 H new ATOM 0 HB2 GLU A 52 4.195 5.362 -5.148 1.00 64.05 H new ATOM 0 HB3 GLU A 52 3.444 6.529 -4.078 1.00 64.05 H new ATOM 0 HG2 GLU A 52 5.132 7.549 -6.330 1.00 42.35 H new ATOM 0 HG3 GLU A 52 3.557 6.881 -6.710 1.00 42.35 H new ATOM 280 N ILE A 53 7.343 4.952 -4.470 1.00 54.00 N ATOM 281 CA ILE A 53 8.548 4.432 -5.106 1.00 25.13 C ATOM 282 C ILE A 53 8.265 3.196 -5.970 1.00 64.11 C ATOM 283 O ILE A 53 9.139 2.715 -6.692 1.00 15.51 O ATOM 284 CB ILE A 53 9.589 4.075 -4.019 1.00 42.31 C ATOM 285 CG1 ILE A 53 8.932 3.164 -2.960 1.00 0.34 C ATOM 286 CG2 ILE A 53 10.155 5.344 -3.381 1.00 14.23 C ATOM 287 CD1 ILE A 53 9.797 2.868 -1.754 1.00 3.23 C ATOM 0 H ILE A 53 7.004 4.382 -3.695 1.00 54.00 H new ATOM 0 HA ILE A 53 8.934 5.210 -5.765 1.00 25.13 H new ATOM 0 HB ILE A 53 10.420 3.538 -4.476 1.00 42.31 H new ATOM 0 HG12 ILE A 53 8.008 3.632 -2.621 1.00 0.34 H new ATOM 0 HG13 ILE A 53 8.657 2.221 -3.432 1.00 0.34 H new ATOM 0 HG21 ILE A 53 10.886 5.073 -2.619 1.00 14.23 H new ATOM 0 HG22 ILE A 53 10.637 5.952 -4.146 1.00 14.23 H new ATOM 0 HG23 ILE A 53 9.346 5.913 -2.922 1.00 14.23 H new ATOM 0 HD11 ILE A 53 9.252 2.222 -1.065 1.00 3.23 H new ATOM 0 HD12 ILE A 53 10.711 2.368 -2.075 1.00 3.23 H new ATOM 0 HD13 ILE A 53 10.052 3.801 -1.251 1.00 3.23 H new ATOM 299 N ALA A 54 7.042 2.682 -5.893 1.00 54.24 N ATOM 300 CA ALA A 54 6.657 1.490 -6.655 1.00 54.42 C ATOM 301 C ALA A 54 5.289 1.676 -7.329 1.00 2.20 C ATOM 302 O ALA A 54 4.431 2.390 -6.805 1.00 41.15 O ATOM 303 CB ALA A 54 6.645 0.268 -5.742 1.00 45.22 C ATOM 0 H ALA A 54 6.298 3.069 -5.312 1.00 54.24 H new ATOM 0 HA ALA A 54 7.394 1.336 -7.443 1.00 54.42 H new ATOM 0 HB1 ALA A 54 6.358 -0.613 -6.317 1.00 45.22 H new ATOM 0 HB2 ALA A 54 7.639 0.118 -5.321 1.00 45.22 H new ATOM 0 HB3 ALA A 54 5.929 0.424 -4.935 1.00 45.22 H new ATOM 309 N PRO A 55 5.071 1.050 -8.506 1.00 23.12 N ATOM 310 CA PRO A 55 3.785 1.127 -9.224 1.00 53.14 C ATOM 311 C PRO A 55 2.572 0.835 -8.326 1.00 44.40 C ATOM 312 O PRO A 55 2.610 -0.063 -7.480 1.00 30.15 O ATOM 313 CB PRO A 55 3.922 0.049 -10.300 1.00 71.24 C ATOM 314 CG PRO A 55 5.388 -0.028 -10.564 1.00 43.15 C ATOM 315 CD PRO A 55 6.058 0.227 -9.237 1.00 2.03 C ATOM 0 HA PRO A 55 3.603 2.129 -9.613 1.00 53.14 H new ATOM 0 HB2 PRO A 55 3.530 -0.908 -9.956 1.00 71.24 H new ATOM 0 HB3 PRO A 55 3.369 0.315 -11.201 1.00 71.24 H new ATOM 0 HG2 PRO A 55 5.663 -1.006 -10.960 1.00 43.15 H new ATOM 0 HG3 PRO A 55 5.692 0.712 -11.304 1.00 43.15 H new ATOM 0 HD2 PRO A 55 6.274 -0.703 -8.711 1.00 2.03 H new ATOM 0 HD3 PRO A 55 7.006 0.751 -9.360 1.00 2.03 H new ATOM 323 N SER A 56 1.497 1.589 -8.522 1.00 53.52 N ATOM 324 CA SER A 56 0.301 1.459 -7.683 1.00 4.12 C ATOM 325 C SER A 56 -0.655 0.381 -8.210 1.00 13.40 C ATOM 326 O SER A 56 -0.730 0.132 -9.414 1.00 44.21 O ATOM 327 CB SER A 56 -0.435 2.800 -7.601 1.00 35.24 C ATOM 328 OG SER A 56 -0.970 3.183 -8.863 1.00 44.32 O ATOM 0 H SER A 56 1.424 2.297 -9.252 1.00 53.52 H new ATOM 0 HA SER A 56 0.633 1.158 -6.689 1.00 4.12 H new ATOM 0 HB2 SER A 56 -1.241 2.729 -6.870 1.00 35.24 H new ATOM 0 HB3 SER A 56 0.250 3.570 -7.247 1.00 35.24 H new ATOM 0 HG SER A 56 -1.434 4.042 -8.775 1.00 44.32 H new ATOM 334 N ASP A 57 -1.382 -0.254 -7.297 1.00 42.11 N ATOM 335 CA ASP A 57 -2.382 -1.266 -7.659 1.00 4.43 C ATOM 336 C ASP A 57 -3.806 -0.748 -7.423 1.00 32.44 C ATOM 337 O ASP A 57 -4.025 0.141 -6.604 1.00 32.44 O ATOM 338 CB ASP A 57 -2.160 -2.551 -6.847 1.00 11.01 C ATOM 339 CG ASP A 57 -0.861 -3.251 -7.207 1.00 73.52 C ATOM 340 OD1 ASP A 57 -0.781 -3.827 -8.309 1.00 45.42 O ATOM 341 OD2 ASP A 57 0.088 -3.228 -6.396 1.00 51.01 O ATOM 0 H ASP A 57 -1.300 -0.088 -6.294 1.00 42.11 H new ATOM 0 HA ASP A 57 -2.264 -1.484 -8.721 1.00 4.43 H new ATOM 0 HB2 ASP A 57 -2.156 -2.309 -5.784 1.00 11.01 H new ATOM 0 HB3 ASP A 57 -2.994 -3.232 -7.015 1.00 11.01 H new ATOM 346 N THR A 58 -4.770 -1.297 -8.153 1.00 50.32 N ATOM 347 CA THR A 58 -6.185 -0.963 -7.937 1.00 55.33 C ATOM 348 C THR A 58 -7.002 -2.227 -7.656 1.00 13.43 C ATOM 349 O THR A 58 -7.288 -3.014 -8.560 1.00 65.14 O ATOM 350 CB THR A 58 -6.784 -0.209 -9.152 1.00 24.03 C ATOM 351 OG1 THR A 58 -6.104 1.047 -9.334 1.00 12.32 O ATOM 352 CG2 THR A 58 -8.281 0.048 -8.970 1.00 5.42 C ATOM 0 H THR A 58 -4.605 -1.974 -8.898 1.00 50.32 H new ATOM 0 HA THR A 58 -6.235 -0.305 -7.069 1.00 55.33 H new ATOM 0 HB THR A 58 -6.648 -0.837 -10.032 1.00 24.03 H new ATOM 0 HG1 THR A 58 -6.486 1.517 -10.104 1.00 12.32 H new ATOM 0 HG21 THR A 58 -8.668 0.578 -9.840 1.00 5.42 H new ATOM 0 HG22 THR A 58 -8.803 -0.903 -8.863 1.00 5.42 H new ATOM 0 HG23 THR A 58 -8.441 0.652 -8.077 1.00 5.42 H new ATOM 360 N LEU A 59 -7.362 -2.424 -6.390 1.00 11.24 N ATOM 361 CA LEU A 59 -8.096 -3.620 -5.961 1.00 73.44 C ATOM 362 C LEU A 59 -9.602 -3.499 -6.236 1.00 2.23 C ATOM 363 O LEU A 59 -10.234 -2.509 -5.867 1.00 71.13 O ATOM 364 CB LEU A 59 -7.856 -3.872 -4.465 1.00 5.44 C ATOM 365 CG LEU A 59 -6.385 -4.080 -4.065 1.00 34.23 C ATOM 366 CD1 LEU A 59 -6.260 -4.321 -2.562 1.00 62.53 C ATOM 367 CD2 LEU A 59 -5.769 -5.238 -4.846 1.00 21.12 C ATOM 0 H LEU A 59 -7.157 -1.768 -5.636 1.00 11.24 H new ATOM 0 HA LEU A 59 -7.721 -4.463 -6.542 1.00 73.44 H new ATOM 0 HB2 LEU A 59 -8.253 -3.027 -3.902 1.00 5.44 H new ATOM 0 HB3 LEU A 59 -8.426 -4.751 -4.165 1.00 5.44 H new ATOM 0 HG LEU A 59 -5.837 -3.171 -4.312 1.00 34.23 H new ATOM 0 HD11 LEU A 59 -5.211 -4.465 -2.303 1.00 62.53 H new ATOM 0 HD12 LEU A 59 -6.652 -3.460 -2.022 1.00 62.53 H new ATOM 0 HD13 LEU A 59 -6.827 -5.210 -2.288 1.00 62.53 H new ATOM 0 HD21 LEU A 59 -4.729 -5.366 -4.547 1.00 21.12 H new ATOM 0 HD22 LEU A 59 -6.322 -6.153 -4.636 1.00 21.12 H new ATOM 0 HD23 LEU A 59 -5.815 -5.022 -5.913 1.00 21.12 H new ATOM 379 N THR A 60 -10.166 -4.521 -6.882 1.00 3.42 N ATOM 380 CA THR A 60 -11.604 -4.555 -7.203 1.00 14.14 C ATOM 381 C THR A 60 -12.332 -5.637 -6.391 1.00 65.11 C ATOM 382 O THR A 60 -13.526 -5.875 -6.573 1.00 64.10 O ATOM 383 CB THR A 60 -11.833 -4.812 -8.718 1.00 71.44 C ATOM 384 OG1 THR A 60 -13.226 -4.679 -9.057 1.00 43.15 O ATOM 385 CG2 THR A 60 -11.338 -6.199 -9.127 1.00 60.25 C ATOM 0 H THR A 60 -9.650 -5.343 -7.197 1.00 3.42 H new ATOM 0 HA THR A 60 -12.012 -3.579 -6.939 1.00 14.14 H new ATOM 0 HB THR A 60 -11.260 -4.062 -9.263 1.00 71.44 H new ATOM 0 HG1 THR A 60 -13.775 -5.069 -8.345 1.00 43.15 H new ATOM 0 HG21 THR A 60 -11.513 -6.348 -10.193 1.00 60.25 H new ATOM 0 HG22 THR A 60 -10.271 -6.280 -8.919 1.00 60.25 H new ATOM 0 HG23 THR A 60 -11.877 -6.959 -8.561 1.00 60.25 H new ATOM 393 N ASP A 61 -11.596 -6.297 -5.500 1.00 62.44 N ATOM 394 CA ASP A 61 -12.159 -7.337 -4.636 1.00 10.43 C ATOM 395 C ASP A 61 -12.943 -6.707 -3.473 1.00 70.52 C ATOM 396 O ASP A 61 -12.491 -5.723 -2.884 1.00 61.22 O ATOM 397 CB ASP A 61 -11.023 -8.208 -4.077 1.00 72.22 C ATOM 398 CG ASP A 61 -11.496 -9.567 -3.587 1.00 2.32 C ATOM 399 OD1 ASP A 61 -12.304 -9.623 -2.635 1.00 51.44 O ATOM 400 OD2 ASP A 61 -11.055 -10.591 -4.150 1.00 63.40 O ATOM 0 H ASP A 61 -10.600 -6.130 -5.355 1.00 62.44 H new ATOM 0 HA ASP A 61 -12.840 -7.951 -5.225 1.00 10.43 H new ATOM 0 HB2 ASP A 61 -10.269 -8.350 -4.851 1.00 72.22 H new ATOM 0 HB3 ASP A 61 -10.540 -7.680 -3.254 1.00 72.22 H new ATOM 405 N TYR A 62 -14.105 -7.274 -3.133 1.00 13.45 N ATOM 406 CA TYR A 62 -14.882 -6.786 -1.985 1.00 45.05 C ATOM 407 C TYR A 62 -14.025 -6.781 -0.709 1.00 44.14 C ATOM 408 O TYR A 62 -14.183 -5.925 0.159 1.00 0.43 O ATOM 409 CB TYR A 62 -16.143 -7.634 -1.761 1.00 73.54 C ATOM 410 CG TYR A 62 -16.883 -7.266 -0.484 1.00 3.21 C ATOM 411 CD1 TYR A 62 -17.612 -6.084 -0.392 1.00 74.15 C ATOM 412 CD2 TYR A 62 -16.835 -8.093 0.636 1.00 60.00 C ATOM 413 CE1 TYR A 62 -18.268 -5.741 0.773 1.00 14.00 C ATOM 414 CE2 TYR A 62 -17.492 -7.755 1.803 1.00 61.02 C ATOM 415 CZ TYR A 62 -18.206 -6.577 1.867 1.00 21.05 C ATOM 416 OH TYR A 62 -18.859 -6.228 3.029 1.00 5.31 O ATOM 0 H TYR A 62 -14.525 -8.061 -3.628 1.00 13.45 H new ATOM 0 HA TYR A 62 -15.190 -5.765 -2.211 1.00 45.05 H new ATOM 0 HB2 TYR A 62 -16.813 -7.512 -2.612 1.00 73.54 H new ATOM 0 HB3 TYR A 62 -15.865 -8.687 -1.723 1.00 73.54 H new ATOM 0 HD1 TYR A 62 -17.665 -5.425 -1.246 1.00 74.15 H new ATOM 0 HD2 TYR A 62 -16.274 -9.015 0.591 1.00 60.00 H new ATOM 0 HE1 TYR A 62 -18.829 -4.820 0.827 1.00 14.00 H new ATOM 0 HE2 TYR A 62 -17.447 -8.410 2.661 1.00 61.02 H new ATOM 0 HH TYR A 62 -18.718 -6.923 3.705 1.00 5.31 H new ATOM 426 N HIS A 63 -13.128 -7.750 -0.595 1.00 31.13 N ATOM 427 CA HIS A 63 -12.147 -7.769 0.487 1.00 21.33 C ATOM 428 C HIS A 63 -10.786 -7.280 -0.014 1.00 24.14 C ATOM 429 O HIS A 63 -9.992 -8.060 -0.547 1.00 32.34 O ATOM 430 CB HIS A 63 -12.011 -9.172 1.090 1.00 70.22 C ATOM 431 CG HIS A 63 -13.154 -9.563 1.968 1.00 0.21 C ATOM 432 ND1 HIS A 63 -13.829 -10.755 1.842 1.00 3.20 N ATOM 433 CD2 HIS A 63 -13.707 -8.932 3.030 1.00 4.21 C ATOM 434 CE1 HIS A 63 -14.746 -10.840 2.778 1.00 44.34 C ATOM 435 NE2 HIS A 63 -14.698 -9.750 3.519 1.00 45.10 N ATOM 0 H HIS A 63 -13.057 -8.537 -1.240 1.00 31.13 H new ATOM 0 HA HIS A 63 -12.501 -7.095 1.267 1.00 21.33 H new ATOM 0 HB2 HIS A 63 -11.921 -9.898 0.282 1.00 70.22 H new ATOM 0 HB3 HIS A 63 -11.088 -9.221 1.667 1.00 70.22 H new ATOM 0 HD2 HIS A 63 -13.423 -7.966 3.421 1.00 4.21 H new ATOM 0 HE1 HIS A 63 -15.427 -11.666 2.918 1.00 44.34 H new ATOM 0 HE2 HIS A 63 -15.296 -9.548 4.320 1.00 45.10 H new ATOM 444 N TYR A 64 -10.523 -5.987 0.139 1.00 2.22 N ATOM 445 CA TYR A 64 -9.240 -5.431 -0.271 1.00 63.45 C ATOM 446 C TYR A 64 -8.122 -5.889 0.674 1.00 74.21 C ATOM 447 O TYR A 64 -7.798 -5.235 1.663 1.00 70.00 O ATOM 448 CB TYR A 64 -9.294 -3.893 -0.385 1.00 62.11 C ATOM 449 CG TYR A 64 -9.654 -3.138 0.891 1.00 61.34 C ATOM 450 CD1 TYR A 64 -10.976 -3.017 1.307 1.00 4.53 C ATOM 451 CD2 TYR A 64 -8.672 -2.520 1.664 1.00 72.42 C ATOM 452 CE1 TYR A 64 -11.305 -2.313 2.450 1.00 33.10 C ATOM 453 CE2 TYR A 64 -9.000 -1.812 2.806 1.00 1.13 C ATOM 454 CZ TYR A 64 -10.317 -1.712 3.194 1.00 55.04 C ATOM 455 OH TYR A 64 -10.649 -1.004 4.332 1.00 3.42 O ATOM 0 H TYR A 64 -11.173 -5.311 0.539 1.00 2.22 H new ATOM 0 HA TYR A 64 -9.014 -5.814 -1.266 1.00 63.45 H new ATOM 0 HB2 TYR A 64 -8.322 -3.540 -0.730 1.00 62.11 H new ATOM 0 HB3 TYR A 64 -10.020 -3.631 -1.155 1.00 62.11 H new ATOM 0 HD1 TYR A 64 -11.759 -3.482 0.726 1.00 4.53 H new ATOM 0 HD2 TYR A 64 -7.637 -2.595 1.366 1.00 72.42 H new ATOM 0 HE1 TYR A 64 -12.337 -2.235 2.759 1.00 33.10 H new ATOM 0 HE2 TYR A 64 -8.225 -1.339 3.391 1.00 1.13 H new ATOM 0 HH TYR A 64 -9.843 -0.847 4.866 1.00 3.42 H new ATOM 465 N VAL A 65 -7.568 -7.056 0.380 1.00 74.23 N ATOM 466 CA VAL A 65 -6.471 -7.608 1.169 1.00 13.11 C ATOM 467 C VAL A 65 -5.152 -7.458 0.402 1.00 23.54 C ATOM 468 O VAL A 65 -4.917 -8.138 -0.598 1.00 2.44 O ATOM 469 CB VAL A 65 -6.731 -9.102 1.503 1.00 34.21 C ATOM 470 CG1 VAL A 65 -5.613 -9.676 2.371 1.00 53.24 C ATOM 471 CG2 VAL A 65 -8.097 -9.275 2.179 1.00 44.33 C ATOM 0 H VAL A 65 -7.860 -7.643 -0.402 1.00 74.23 H new ATOM 0 HA VAL A 65 -6.404 -7.056 2.107 1.00 13.11 H new ATOM 0 HB VAL A 65 -6.741 -9.660 0.567 1.00 34.21 H new ATOM 0 HG11 VAL A 65 -5.823 -10.723 2.589 1.00 53.24 H new ATOM 0 HG12 VAL A 65 -4.664 -9.598 1.840 1.00 53.24 H new ATOM 0 HG13 VAL A 65 -5.553 -9.116 3.304 1.00 53.24 H new ATOM 0 HG21 VAL A 65 -8.260 -10.329 2.405 1.00 44.33 H new ATOM 0 HG22 VAL A 65 -8.121 -8.698 3.103 1.00 44.33 H new ATOM 0 HG23 VAL A 65 -8.881 -8.922 1.510 1.00 44.33 H new ATOM 481 N SER A 66 -4.295 -6.558 0.872 1.00 52.12 N ATOM 482 CA SER A 66 -3.053 -6.223 0.159 1.00 14.13 C ATOM 483 C SER A 66 -1.820 -6.857 0.809 1.00 63.41 C ATOM 484 O SER A 66 -1.874 -7.360 1.932 1.00 34.31 O ATOM 485 CB SER A 66 -2.875 -4.700 0.094 1.00 60.41 C ATOM 486 OG SER A 66 -1.688 -4.352 -0.603 1.00 2.21 O ATOM 0 H SER A 66 -4.431 -6.044 1.742 1.00 52.12 H new ATOM 0 HA SER A 66 -3.142 -6.630 -0.848 1.00 14.13 H new ATOM 0 HB2 SER A 66 -3.736 -4.251 -0.402 1.00 60.41 H new ATOM 0 HB3 SER A 66 -2.840 -4.292 1.104 1.00 60.41 H new ATOM 0 HG SER A 66 -0.995 -4.094 0.040 1.00 2.21 H new ATOM 492 N THR A 67 -0.698 -6.809 0.092 1.00 45.23 N ATOM 493 CA THR A 67 0.569 -7.387 0.561 1.00 31.22 C ATOM 494 C THR A 67 1.750 -6.459 0.239 1.00 24.55 C ATOM 495 O THR A 67 1.768 -5.818 -0.811 1.00 14.03 O ATOM 496 CB THR A 67 0.853 -8.760 -0.099 1.00 14.32 C ATOM 497 OG1 THR A 67 0.897 -8.624 -1.536 1.00 24.15 O ATOM 498 CG2 THR A 67 -0.202 -9.796 0.280 1.00 50.12 C ATOM 0 H THR A 67 -0.637 -6.371 -0.827 1.00 45.23 H new ATOM 0 HA THR A 67 0.468 -7.513 1.639 1.00 31.22 H new ATOM 0 HB THR A 67 1.819 -9.105 0.268 1.00 14.32 H new ATOM 0 HG1 THR A 67 1.079 -9.497 -1.942 1.00 24.15 H new ATOM 0 HG21 THR A 67 0.031 -10.746 -0.202 1.00 50.12 H new ATOM 0 HG22 THR A 67 -0.208 -9.930 1.362 1.00 50.12 H new ATOM 0 HG23 THR A 67 -1.183 -9.453 -0.049 1.00 50.12 H new ATOM 506 N PRO A 68 2.754 -6.376 1.131 1.00 51.13 N ATOM 507 CA PRO A 68 3.970 -5.576 0.883 1.00 50.40 C ATOM 508 C PRO A 68 4.875 -6.185 -0.207 1.00 1.02 C ATOM 509 O PRO A 68 4.714 -7.346 -0.594 1.00 41.14 O ATOM 510 CB PRO A 68 4.676 -5.587 2.244 1.00 32.33 C ATOM 511 CG PRO A 68 4.212 -6.845 2.896 1.00 30.22 C ATOM 512 CD PRO A 68 2.788 -7.040 2.449 1.00 2.30 C ATOM 0 HA PRO A 68 3.733 -4.578 0.514 1.00 50.40 H new ATOM 0 HB2 PRO A 68 5.760 -5.576 2.129 1.00 32.33 H new ATOM 0 HB3 PRO A 68 4.410 -4.712 2.836 1.00 32.33 H new ATOM 0 HG2 PRO A 68 4.833 -7.690 2.600 1.00 30.22 H new ATOM 0 HG3 PRO A 68 4.274 -6.768 3.982 1.00 30.22 H new ATOM 0 HD2 PRO A 68 2.531 -8.097 2.374 1.00 2.30 H new ATOM 0 HD3 PRO A 68 2.082 -6.588 3.146 1.00 2.30 H new ATOM 520 N LYS A 69 5.833 -5.395 -0.690 1.00 74.41 N ATOM 521 CA LYS A 69 6.736 -5.832 -1.766 1.00 11.04 C ATOM 522 C LYS A 69 8.215 -5.623 -1.392 1.00 12.24 C ATOM 523 O LYS A 69 8.551 -4.725 -0.615 1.00 71.33 O ATOM 524 CB LYS A 69 6.431 -5.059 -3.059 1.00 62.24 C ATOM 525 CG LYS A 69 5.050 -5.337 -3.652 1.00 11.15 C ATOM 526 CD LYS A 69 4.804 -4.511 -4.913 1.00 53.43 C ATOM 527 CE LYS A 69 3.487 -4.874 -5.587 1.00 42.40 C ATOM 528 NZ LYS A 69 3.466 -6.287 -6.054 1.00 62.25 N ATOM 0 H LYS A 69 6.008 -4.447 -0.356 1.00 74.41 H new ATOM 0 HA LYS A 69 6.567 -6.898 -1.918 1.00 11.04 H new ATOM 0 HB2 LYS A 69 6.518 -3.991 -2.858 1.00 62.24 H new ATOM 0 HB3 LYS A 69 7.188 -5.306 -3.803 1.00 62.24 H new ATOM 0 HG2 LYS A 69 4.961 -6.397 -3.888 1.00 11.15 H new ATOM 0 HG3 LYS A 69 4.283 -5.110 -2.912 1.00 11.15 H new ATOM 0 HD2 LYS A 69 4.800 -3.452 -4.657 1.00 53.43 H new ATOM 0 HD3 LYS A 69 5.624 -4.666 -5.614 1.00 53.43 H new ATOM 0 HE2 LYS A 69 2.666 -4.712 -4.888 1.00 42.40 H new ATOM 0 HE3 LYS A 69 3.320 -4.210 -6.435 1.00 42.40 H new ATOM 0 HZ1 LYS A 69 2.667 -6.426 -6.705 1.00 62.25 H new ATOM 0 HZ2 LYS A 69 4.356 -6.503 -6.547 1.00 62.25 H new ATOM 0 HZ3 LYS A 69 3.360 -6.921 -5.237 1.00 62.25 H new ATOM 542 N ASP A 70 9.096 -6.454 -1.946 1.00 64.25 N ATOM 543 CA ASP A 70 10.539 -6.261 -1.776 1.00 2.23 C ATOM 544 C ASP A 70 11.075 -5.304 -2.850 1.00 52.31 C ATOM 545 O ASP A 70 11.366 -5.711 -3.977 1.00 12.23 O ATOM 546 CB ASP A 70 11.285 -7.600 -1.834 1.00 3.41 C ATOM 547 CG ASP A 70 12.787 -7.432 -1.647 1.00 13.22 C ATOM 548 OD1 ASP A 70 13.217 -7.085 -0.525 1.00 55.03 O ATOM 549 OD2 ASP A 70 13.548 -7.639 -2.617 1.00 62.13 O ATOM 0 H ASP A 70 8.841 -7.263 -2.513 1.00 64.25 H new ATOM 0 HA ASP A 70 10.711 -5.822 -0.793 1.00 2.23 H new ATOM 0 HB2 ASP A 70 10.897 -8.264 -1.061 1.00 3.41 H new ATOM 0 HB3 ASP A 70 11.092 -8.080 -2.793 1.00 3.41 H new ATOM 554 N ILE A 71 11.154 -4.025 -2.505 1.00 74.10 N ATOM 555 CA ILE A 71 11.663 -3.000 -3.418 1.00 41.44 C ATOM 556 C ILE A 71 13.193 -2.868 -3.299 1.00 62.41 C ATOM 557 O ILE A 71 13.721 -2.702 -2.198 1.00 22.00 O ATOM 558 CB ILE A 71 10.989 -1.632 -3.125 1.00 4.44 C ATOM 559 CG1 ILE A 71 9.456 -1.778 -3.184 1.00 44.32 C ATOM 560 CG2 ILE A 71 11.474 -0.556 -4.102 1.00 43.32 C ATOM 561 CD1 ILE A 71 8.705 -0.511 -2.840 1.00 24.03 C ATOM 0 H ILE A 71 10.870 -3.667 -1.593 1.00 74.10 H new ATOM 0 HA ILE A 71 11.421 -3.305 -4.436 1.00 41.44 H new ATOM 0 HB ILE A 71 11.272 -1.315 -2.121 1.00 4.44 H new ATOM 0 HG12 ILE A 71 9.170 -2.097 -4.186 1.00 44.32 H new ATOM 0 HG13 ILE A 71 9.150 -2.568 -2.498 1.00 44.32 H new ATOM 0 HG21 ILE A 71 10.985 0.391 -3.873 1.00 43.32 H new ATOM 0 HG22 ILE A 71 12.554 -0.439 -4.008 1.00 43.32 H new ATOM 0 HG23 ILE A 71 11.229 -0.853 -5.122 1.00 43.32 H new ATOM 0 HD11 ILE A 71 7.633 -0.695 -2.904 1.00 24.03 H new ATOM 0 HD12 ILE A 71 8.960 -0.201 -1.827 1.00 24.03 H new ATOM 0 HD13 ILE A 71 8.980 0.277 -3.541 1.00 24.03 H new ATOM 573 N PRO A 72 13.927 -2.944 -4.429 1.00 33.20 N ATOM 574 CA PRO A 72 15.401 -2.873 -4.427 1.00 50.33 C ATOM 575 C PRO A 72 15.938 -1.574 -3.797 1.00 70.02 C ATOM 576 O PRO A 72 15.857 -0.495 -4.393 1.00 22.11 O ATOM 577 CB PRO A 72 15.776 -2.958 -5.919 1.00 10.43 C ATOM 578 CG PRO A 72 14.524 -2.604 -6.652 1.00 14.42 C ATOM 579 CD PRO A 72 13.393 -3.102 -5.795 1.00 14.20 C ATOM 0 HA PRO A 72 15.838 -3.669 -3.824 1.00 50.33 H new ATOM 0 HB2 PRO A 72 16.585 -2.269 -6.163 1.00 10.43 H new ATOM 0 HB3 PRO A 72 16.119 -3.958 -6.184 1.00 10.43 H new ATOM 0 HG2 PRO A 72 14.453 -1.527 -6.807 1.00 14.42 H new ATOM 0 HG3 PRO A 72 14.503 -3.070 -7.637 1.00 14.42 H new ATOM 0 HD2 PRO A 72 12.484 -2.519 -5.945 1.00 14.20 H new ATOM 0 HD3 PRO A 72 13.145 -4.140 -6.015 1.00 14.20 H new ATOM 587 N GLY A 73 16.481 -1.688 -2.584 1.00 62.33 N ATOM 588 CA GLY A 73 16.996 -0.521 -1.870 1.00 53.22 C ATOM 589 C GLY A 73 16.007 0.050 -0.852 1.00 75.11 C ATOM 590 O GLY A 73 16.248 1.109 -0.270 1.00 10.41 O ATOM 0 H GLY A 73 16.575 -2.570 -2.079 1.00 62.33 H new ATOM 0 HA2 GLY A 73 17.918 -0.795 -1.357 1.00 53.22 H new ATOM 0 HA3 GLY A 73 17.252 0.254 -2.592 1.00 53.22 H new ATOM 594 N TYR A 74 14.883 -0.641 -0.643 1.00 72.40 N ATOM 595 CA TYR A 74 13.863 -0.198 0.320 1.00 11.14 C ATOM 596 C TYR A 74 13.396 -1.324 1.257 1.00 24.42 C ATOM 597 O TYR A 74 13.329 -2.497 0.879 1.00 35.25 O ATOM 598 CB TYR A 74 12.660 0.399 -0.414 1.00 33.01 C ATOM 599 CG TYR A 74 12.916 1.794 -0.954 1.00 0.34 C ATOM 600 CD1 TYR A 74 12.720 2.912 -0.149 1.00 21.12 C ATOM 601 CD2 TYR A 74 13.357 1.996 -2.258 1.00 14.25 C ATOM 602 CE1 TYR A 74 12.949 4.184 -0.628 1.00 33.54 C ATOM 603 CE2 TYR A 74 13.589 3.269 -2.743 1.00 54.33 C ATOM 604 CZ TYR A 74 13.383 4.360 -1.925 1.00 52.34 C ATOM 605 OH TYR A 74 13.610 5.630 -2.408 1.00 2.24 O ATOM 0 H TYR A 74 14.654 -1.510 -1.126 1.00 72.40 H new ATOM 0 HA TYR A 74 14.333 0.564 0.942 1.00 11.14 H new ATOM 0 HB2 TYR A 74 12.385 -0.257 -1.240 1.00 33.01 H new ATOM 0 HB3 TYR A 74 11.808 0.431 0.265 1.00 33.01 H new ATOM 0 HD1 TYR A 74 12.383 2.781 0.869 1.00 21.12 H new ATOM 0 HD2 TYR A 74 13.521 1.144 -2.902 1.00 14.25 H new ATOM 0 HE1 TYR A 74 12.789 5.040 0.011 1.00 33.54 H new ATOM 0 HE2 TYR A 74 13.930 3.409 -3.758 1.00 54.33 H new ATOM 0 HH TYR A 74 13.913 5.577 -3.339 1.00 2.24 H new ATOM 615 N LYS A 75 13.076 -0.931 2.487 1.00 13.32 N ATOM 616 CA LYS A 75 12.662 -1.851 3.552 1.00 40.22 C ATOM 617 C LYS A 75 11.316 -1.419 4.166 1.00 13.45 C ATOM 618 O LYS A 75 11.133 -0.254 4.505 1.00 32.34 O ATOM 619 CB LYS A 75 13.755 -1.854 4.625 1.00 1.35 C ATOM 620 CG LYS A 75 13.474 -2.733 5.833 1.00 51.34 C ATOM 621 CD LYS A 75 14.673 -2.751 6.779 1.00 5.44 C ATOM 622 CE LYS A 75 14.393 -3.543 8.046 1.00 71.13 C ATOM 623 NZ LYS A 75 13.982 -4.942 7.755 1.00 34.40 N ATOM 0 H LYS A 75 13.096 0.046 2.779 1.00 13.32 H new ATOM 0 HA LYS A 75 12.527 -2.851 3.140 1.00 40.22 H new ATOM 0 HB2 LYS A 75 14.689 -2.180 4.168 1.00 1.35 H new ATOM 0 HB3 LYS A 75 13.908 -0.831 4.968 1.00 1.35 H new ATOM 0 HG2 LYS A 75 12.594 -2.364 6.360 1.00 51.34 H new ATOM 0 HG3 LYS A 75 13.248 -3.748 5.506 1.00 51.34 H new ATOM 0 HD2 LYS A 75 15.532 -3.182 6.265 1.00 5.44 H new ATOM 0 HD3 LYS A 75 14.940 -1.728 7.044 1.00 5.44 H new ATOM 0 HE2 LYS A 75 15.285 -3.551 8.672 1.00 71.13 H new ATOM 0 HE3 LYS A 75 13.608 -3.047 8.617 1.00 71.13 H new ATOM 0 HZ1 LYS A 75 13.933 -5.481 8.643 1.00 34.40 H new ATOM 0 HZ2 LYS A 75 13.048 -4.941 7.298 1.00 34.40 H new ATOM 0 HZ3 LYS A 75 14.677 -5.383 7.120 1.00 34.40 H new ATOM 637 N LEU A 76 10.377 -2.357 4.308 1.00 32.01 N ATOM 638 CA LEU A 76 9.048 -2.041 4.854 1.00 32.42 C ATOM 639 C LEU A 76 9.123 -1.569 6.316 1.00 14.55 C ATOM 640 O LEU A 76 9.616 -2.287 7.192 1.00 72.51 O ATOM 641 CB LEU A 76 8.126 -3.262 4.754 1.00 41.41 C ATOM 642 CG LEU A 76 6.687 -3.042 5.264 1.00 2.43 C ATOM 643 CD1 LEU A 76 5.934 -2.057 4.370 1.00 1.31 C ATOM 644 CD2 LEU A 76 5.940 -4.366 5.362 1.00 62.20 C ATOM 0 H LEU A 76 10.507 -3.337 4.055 1.00 32.01 H new ATOM 0 HA LEU A 76 8.641 -1.224 4.258 1.00 32.42 H new ATOM 0 HB2 LEU A 76 8.081 -3.579 3.712 1.00 41.41 H new ATOM 0 HB3 LEU A 76 8.573 -4.082 5.317 1.00 41.41 H new ATOM 0 HG LEU A 76 6.746 -2.611 6.263 1.00 2.43 H new ATOM 0 HD11 LEU A 76 4.922 -1.920 4.752 1.00 1.31 H new ATOM 0 HD12 LEU A 76 6.454 -1.099 4.366 1.00 1.31 H new ATOM 0 HD13 LEU A 76 5.888 -2.449 3.354 1.00 1.31 H new ATOM 0 HD21 LEU A 76 4.928 -4.187 5.724 1.00 62.20 H new ATOM 0 HD22 LEU A 76 5.896 -4.833 4.378 1.00 62.20 H new ATOM 0 HD23 LEU A 76 6.461 -5.027 6.055 1.00 62.20 H new ATOM 656 N ARG A 77 8.632 -0.358 6.570 1.00 51.55 N ATOM 657 CA ARG A 77 8.578 0.194 7.927 1.00 44.30 C ATOM 658 C ARG A 77 7.364 -0.331 8.709 1.00 4.23 C ATOM 659 O ARG A 77 7.507 -0.939 9.770 1.00 53.43 O ATOM 660 CB ARG A 77 8.515 1.728 7.872 1.00 13.12 C ATOM 661 CG ARG A 77 8.389 2.387 9.247 1.00 22.33 C ATOM 662 CD ARG A 77 8.340 3.910 9.154 1.00 30.12 C ATOM 663 NE ARG A 77 9.601 4.484 8.683 1.00 72.44 N ATOM 664 CZ ARG A 77 9.883 5.761 8.727 1.00 51.15 C ATOM 665 NH1 ARG A 77 9.026 6.615 9.183 1.00 4.34 N ATOM 666 NH2 ARG A 77 11.032 6.183 8.318 1.00 24.42 N ATOM 0 H ARG A 77 8.263 0.265 5.851 1.00 51.55 H new ATOM 0 HA ARG A 77 9.483 -0.126 8.443 1.00 44.30 H new ATOM 0 HB2 ARG A 77 9.413 2.102 7.380 1.00 13.12 H new ATOM 0 HB3 ARG A 77 7.666 2.026 7.257 1.00 13.12 H new ATOM 0 HG2 ARG A 77 7.487 2.026 9.740 1.00 22.33 H new ATOM 0 HG3 ARG A 77 9.233 2.090 9.869 1.00 22.33 H new ATOM 0 HD2 ARG A 77 7.536 4.204 8.479 1.00 30.12 H new ATOM 0 HD3 ARG A 77 8.100 4.323 10.134 1.00 30.12 H new ATOM 0 HE ARG A 77 10.302 3.851 8.297 1.00 72.44 H new ATOM 0 HH11 ARG A 77 8.116 6.296 9.515 1.00 4.34 H new ATOM 0 HH12 ARG A 77 9.260 7.607 9.211 1.00 4.34 H new ATOM 0 HH21 ARG A 77 11.721 5.521 7.960 1.00 24.42 H new ATOM 0 HH22 ARG A 77 11.251 7.179 8.352 1.00 24.42 H new ATOM 680 N GLU A 78 6.167 -0.089 8.175 1.00 75.53 N ATOM 681 CA GLU A 78 4.921 -0.426 8.875 1.00 60.22 C ATOM 682 C GLU A 78 3.768 -0.688 7.894 1.00 42.22 C ATOM 683 O GLU A 78 3.847 -0.338 6.713 1.00 35.10 O ATOM 684 CB GLU A 78 4.540 0.712 9.833 1.00 23.23 C ATOM 685 CG GLU A 78 4.336 2.061 9.145 1.00 22.31 C ATOM 686 CD GLU A 78 4.056 3.190 10.127 1.00 64.41 C ATOM 687 OE1 GLU A 78 2.874 3.421 10.462 1.00 74.41 O ATOM 688 OE2 GLU A 78 5.015 3.855 10.567 1.00 41.23 O ATOM 0 H GLU A 78 6.031 0.339 7.259 1.00 75.53 H new ATOM 0 HA GLU A 78 5.093 -1.343 9.438 1.00 60.22 H new ATOM 0 HB2 GLU A 78 3.624 0.441 10.357 1.00 23.23 H new ATOM 0 HB3 GLU A 78 5.320 0.815 10.587 1.00 23.23 H new ATOM 0 HG2 GLU A 78 5.225 2.304 8.563 1.00 22.31 H new ATOM 0 HG3 GLU A 78 3.506 1.983 8.442 1.00 22.31 H new ATOM 695 N ILE A 79 2.699 -1.299 8.399 1.00 21.41 N ATOM 696 CA ILE A 79 1.518 -1.614 7.589 1.00 54.44 C ATOM 697 C ILE A 79 0.330 -0.696 7.950 1.00 10.42 C ATOM 698 O ILE A 79 -0.043 -0.580 9.122 1.00 52.21 O ATOM 699 CB ILE A 79 1.112 -3.101 7.769 1.00 50.00 C ATOM 700 CG1 ILE A 79 2.227 -4.020 7.239 1.00 35.35 C ATOM 701 CG2 ILE A 79 -0.213 -3.401 7.066 1.00 31.15 C ATOM 702 CD1 ILE A 79 1.918 -5.499 7.347 1.00 44.45 C ATOM 0 H ILE A 79 2.624 -1.589 9.374 1.00 21.41 H new ATOM 0 HA ILE A 79 1.779 -1.442 6.545 1.00 54.44 H new ATOM 0 HB ILE A 79 0.973 -3.292 8.833 1.00 50.00 H new ATOM 0 HG12 ILE A 79 2.417 -3.776 6.194 1.00 35.35 H new ATOM 0 HG13 ILE A 79 3.145 -3.811 7.788 1.00 35.35 H new ATOM 0 HG21 ILE A 79 -0.472 -4.450 7.209 1.00 31.15 H new ATOM 0 HG22 ILE A 79 -0.998 -2.773 7.486 1.00 31.15 H new ATOM 0 HG23 ILE A 79 -0.114 -3.194 6.000 1.00 31.15 H new ATOM 0 HD11 ILE A 79 2.755 -6.075 6.952 1.00 44.45 H new ATOM 0 HD12 ILE A 79 1.758 -5.762 8.393 1.00 44.45 H new ATOM 0 HD13 ILE A 79 1.019 -5.726 6.774 1.00 44.45 H new ATOM 714 N PRO A 80 -0.277 -0.030 6.941 1.00 70.33 N ATOM 715 CA PRO A 80 -1.411 0.897 7.147 1.00 20.22 C ATOM 716 C PRO A 80 -2.612 0.260 7.875 1.00 2.31 C ATOM 717 O PRO A 80 -2.813 -0.958 7.843 1.00 13.05 O ATOM 718 CB PRO A 80 -1.802 1.320 5.714 1.00 11.14 C ATOM 719 CG PRO A 80 -1.164 0.308 4.822 1.00 33.21 C ATOM 720 CD PRO A 80 0.102 -0.105 5.519 1.00 13.11 C ATOM 0 HA PRO A 80 -1.123 1.727 7.792 1.00 20.22 H new ATOM 0 HB2 PRO A 80 -2.885 1.330 5.588 1.00 11.14 H new ATOM 0 HB3 PRO A 80 -1.445 2.325 5.488 1.00 11.14 H new ATOM 0 HG2 PRO A 80 -1.822 -0.547 4.666 1.00 33.21 H new ATOM 0 HG3 PRO A 80 -0.951 0.730 3.840 1.00 33.21 H new ATOM 0 HD2 PRO A 80 0.412 -1.110 5.234 1.00 13.11 H new ATOM 0 HD3 PRO A 80 0.931 0.563 5.284 1.00 13.11 H new ATOM 728 N HIS A 81 -3.419 1.107 8.519 1.00 13.54 N ATOM 729 CA HIS A 81 -4.586 0.661 9.296 1.00 22.14 C ATOM 730 C HIS A 81 -5.666 -0.001 8.417 1.00 11.03 C ATOM 731 O HIS A 81 -6.626 -0.576 8.929 1.00 15.31 O ATOM 732 CB HIS A 81 -5.198 1.856 10.050 1.00 52.41 C ATOM 733 CG HIS A 81 -5.843 2.884 9.159 1.00 71.31 C ATOM 734 ND1 HIS A 81 -7.132 3.335 9.343 1.00 30.41 N ATOM 735 CD2 HIS A 81 -5.371 3.556 8.078 1.00 12.21 C ATOM 736 CE1 HIS A 81 -7.425 4.232 8.424 1.00 2.34 C ATOM 737 NE2 HIS A 81 -6.376 4.388 7.643 1.00 2.32 N ATOM 0 H HIS A 81 -3.286 2.118 8.519 1.00 13.54 H new ATOM 0 HA HIS A 81 -4.233 -0.092 10.001 1.00 22.14 H new ATOM 0 HB2 HIS A 81 -5.942 1.484 10.754 1.00 52.41 H new ATOM 0 HB3 HIS A 81 -4.417 2.339 10.637 1.00 52.41 H new ATOM 0 HD2 HIS A 81 -4.389 3.456 7.641 1.00 12.21 H new ATOM 0 HE1 HIS A 81 -8.367 4.752 8.327 1.00 2.34 H new ATOM 0 HE2 HIS A 81 -6.318 5.022 6.846 1.00 2.32 H new ATOM 746 N ASN A 82 -5.510 0.094 7.101 1.00 41.13 N ATOM 747 CA ASN A 82 -6.514 -0.417 6.160 1.00 13.11 C ATOM 748 C ASN A 82 -5.879 -1.281 5.055 1.00 25.11 C ATOM 749 O ASN A 82 -6.263 -1.196 3.894 1.00 43.55 O ATOM 750 CB ASN A 82 -7.274 0.761 5.534 1.00 41.33 C ATOM 751 CG ASN A 82 -6.346 1.756 4.855 1.00 44.25 C ATOM 752 OD1 ASN A 82 -5.212 1.959 5.281 1.00 62.13 O ATOM 753 ND2 ASN A 82 -6.815 2.383 3.798 1.00 63.51 N ATOM 0 H ASN A 82 -4.697 0.520 6.656 1.00 41.13 H new ATOM 0 HA ASN A 82 -7.204 -1.053 6.715 1.00 13.11 H new ATOM 0 HB2 ASN A 82 -7.990 0.381 4.806 1.00 41.33 H new ATOM 0 HB3 ASN A 82 -7.847 1.272 6.308 1.00 41.33 H new ATOM 0 HD21 ASN A 82 -6.232 3.061 3.307 1.00 63.51 H new ATOM 0 HD22 ASN A 82 -7.762 2.191 3.470 1.00 63.51 H new ATOM 760 N ALA A 83 -4.919 -2.125 5.423 1.00 14.24 N ATOM 761 CA ALA A 83 -4.271 -3.018 4.454 1.00 70.22 C ATOM 762 C ALA A 83 -5.153 -4.234 4.123 1.00 30.43 C ATOM 763 O ALA A 83 -5.032 -4.828 3.047 1.00 55.34 O ATOM 764 CB ALA A 83 -2.918 -3.470 4.984 1.00 33.43 C ATOM 0 H ALA A 83 -4.571 -2.213 6.378 1.00 14.24 H new ATOM 0 HA ALA A 83 -4.125 -2.459 3.530 1.00 70.22 H new ATOM 0 HB1 ALA A 83 -2.446 -4.132 4.258 1.00 33.43 H new ATOM 0 HB2 ALA A 83 -2.283 -2.600 5.149 1.00 33.43 H new ATOM 0 HB3 ALA A 83 -3.055 -4.003 5.925 1.00 33.43 H new ATOM 770 N THR A 84 -6.027 -4.609 5.061 1.00 74.14 N ATOM 771 CA THR A 84 -6.943 -5.748 4.878 1.00 45.23 C ATOM 772 C THR A 84 -8.354 -5.413 5.378 1.00 42.44 C ATOM 773 O THR A 84 -8.519 -4.937 6.506 1.00 45.25 O ATOM 774 CB THR A 84 -6.453 -7.009 5.644 1.00 4.41 C ATOM 775 OG1 THR A 84 -6.457 -6.766 7.063 1.00 20.14 O ATOM 776 CG2 THR A 84 -5.050 -7.414 5.206 1.00 21.25 C ATOM 0 H THR A 84 -6.123 -4.140 5.962 1.00 74.14 H new ATOM 0 HA THR A 84 -6.963 -5.953 3.808 1.00 45.23 H new ATOM 0 HB THR A 84 -7.139 -7.823 5.410 1.00 4.41 H new ATOM 0 HG1 THR A 84 -7.091 -6.048 7.270 1.00 20.14 H new ATOM 0 HG21 THR A 84 -4.737 -8.299 5.760 1.00 21.25 H new ATOM 0 HG22 THR A 84 -5.052 -7.636 4.139 1.00 21.25 H new ATOM 0 HG23 THR A 84 -4.357 -6.597 5.405 1.00 21.25 H new ATOM 784 N GLY A 85 -9.370 -5.663 4.554 1.00 72.05 N ATOM 785 CA GLY A 85 -10.749 -5.427 4.979 1.00 22.00 C ATOM 786 C GLY A 85 -11.761 -5.468 3.839 1.00 21.31 C ATOM 787 O GLY A 85 -11.435 -5.849 2.717 1.00 64.45 O ATOM 0 H GLY A 85 -9.269 -6.023 3.605 1.00 72.05 H new ATOM 0 HA2 GLY A 85 -11.023 -6.175 5.723 1.00 22.00 H new ATOM 0 HA3 GLY A 85 -10.807 -4.455 5.469 1.00 22.00 H new ATOM 791 N ASN A 86 -12.993 -5.063 4.134 1.00 3.41 N ATOM 792 CA ASN A 86 -14.078 -5.042 3.145 1.00 64.11 C ATOM 793 C ASN A 86 -14.358 -3.612 2.636 1.00 44.33 C ATOM 794 O ASN A 86 -14.407 -2.663 3.421 1.00 63.43 O ATOM 795 CB ASN A 86 -15.348 -5.660 3.750 1.00 4.31 C ATOM 796 CG ASN A 86 -15.613 -5.187 5.167 1.00 52.13 C ATOM 797 OD1 ASN A 86 -16.333 -4.232 5.396 1.00 11.41 O ATOM 798 ND2 ASN A 86 -15.026 -5.857 6.133 1.00 40.42 N ATOM 0 H ASN A 86 -13.272 -4.740 5.061 1.00 3.41 H new ATOM 0 HA ASN A 86 -13.765 -5.636 2.286 1.00 64.11 H new ATOM 0 HB2 ASN A 86 -16.203 -5.410 3.122 1.00 4.31 H new ATOM 0 HB3 ASN A 86 -15.256 -6.746 3.745 1.00 4.31 H new ATOM 0 HD21 ASN A 86 -15.168 -5.581 7.105 1.00 40.42 H new ATOM 0 HD22 ASN A 86 -14.428 -6.653 5.911 1.00 40.42 H new ATOM 805 N ILE A 87 -14.524 -3.461 1.317 1.00 3.23 N ATOM 806 CA ILE A 87 -14.792 -2.150 0.711 1.00 34.53 C ATOM 807 C ILE A 87 -16.166 -1.620 1.139 1.00 30.21 C ATOM 808 O ILE A 87 -17.197 -1.990 0.575 1.00 75.53 O ATOM 809 CB ILE A 87 -14.733 -2.199 -0.842 1.00 13.13 C ATOM 810 CG1 ILE A 87 -13.375 -2.737 -1.325 1.00 21.21 C ATOM 811 CG2 ILE A 87 -14.998 -0.809 -1.432 1.00 61.41 C ATOM 812 CD1 ILE A 87 -13.227 -2.764 -2.834 1.00 54.41 C ATOM 0 H ILE A 87 -14.478 -4.230 0.648 1.00 3.23 H new ATOM 0 HA ILE A 87 -14.009 -1.480 1.067 1.00 34.53 H new ATOM 0 HB ILE A 87 -15.510 -2.880 -1.189 1.00 13.13 H new ATOM 0 HG12 ILE A 87 -12.580 -2.122 -0.903 1.00 21.21 H new ATOM 0 HG13 ILE A 87 -13.237 -3.746 -0.938 1.00 21.21 H new ATOM 0 HG21 ILE A 87 -14.953 -0.861 -2.520 1.00 61.41 H new ATOM 0 HG22 ILE A 87 -15.986 -0.466 -1.126 1.00 61.41 H new ATOM 0 HG23 ILE A 87 -14.243 -0.110 -1.071 1.00 61.41 H new ATOM 0 HD11 ILE A 87 -12.244 -3.155 -3.096 1.00 54.41 H new ATOM 0 HD12 ILE A 87 -13.998 -3.403 -3.264 1.00 54.41 H new ATOM 0 HD13 ILE A 87 -13.332 -1.753 -3.228 1.00 54.41 H new ATOM 824 N THR A 88 -16.174 -0.779 2.162 1.00 45.35 N ATOM 825 CA THR A 88 -17.417 -0.201 2.679 1.00 20.12 C ATOM 826 C THR A 88 -17.601 1.264 2.245 1.00 10.42 C ATOM 827 O THR A 88 -18.683 1.833 2.406 1.00 45.44 O ATOM 828 CB THR A 88 -17.451 -0.269 4.221 1.00 23.32 C ATOM 829 OG1 THR A 88 -16.287 0.378 4.760 1.00 3.02 O ATOM 830 CG2 THR A 88 -17.504 -1.719 4.703 1.00 60.44 C ATOM 0 H THR A 88 -15.334 -0.477 2.656 1.00 45.35 H new ATOM 0 HA THR A 88 -18.231 -0.792 2.260 1.00 20.12 H new ATOM 0 HB THR A 88 -18.349 0.242 4.568 1.00 23.32 H new ATOM 0 HG1 THR A 88 -16.376 1.349 4.658 1.00 3.02 H new ATOM 0 HG21 THR A 88 -17.527 -1.740 5.793 1.00 60.44 H new ATOM 0 HG22 THR A 88 -18.401 -2.200 4.312 1.00 60.44 H new ATOM 0 HG23 THR A 88 -16.622 -2.253 4.349 1.00 60.44 H new ATOM 838 N ASP A 89 -16.544 1.871 1.705 1.00 75.43 N ATOM 839 CA ASP A 89 -16.593 3.265 1.237 1.00 42.22 C ATOM 840 C ASP A 89 -15.879 3.434 -0.115 1.00 24.13 C ATOM 841 O ASP A 89 -15.179 2.532 -0.579 1.00 14.20 O ATOM 842 CB ASP A 89 -15.964 4.200 2.278 1.00 5.32 C ATOM 843 CG ASP A 89 -16.744 4.219 3.581 1.00 33.05 C ATOM 844 OD1 ASP A 89 -17.833 4.829 3.616 1.00 31.43 O ATOM 845 OD2 ASP A 89 -16.285 3.619 4.575 1.00 3.34 O ATOM 0 H ASP A 89 -15.638 1.421 1.579 1.00 75.43 H new ATOM 0 HA ASP A 89 -17.642 3.529 1.101 1.00 42.22 H new ATOM 0 HB2 ASP A 89 -14.940 3.884 2.475 1.00 5.32 H new ATOM 0 HB3 ASP A 89 -15.914 5.210 1.872 1.00 5.32 H new ATOM 850 N THR A 90 -16.059 4.603 -0.734 1.00 53.33 N ATOM 851 CA THR A 90 -15.453 4.905 -2.045 1.00 22.41 C ATOM 852 C THR A 90 -14.082 5.576 -1.905 1.00 61.13 C ATOM 853 O THR A 90 -13.887 6.423 -1.033 1.00 71.10 O ATOM 854 CB THR A 90 -16.347 5.849 -2.884 1.00 62.12 C ATOM 855 OG1 THR A 90 -16.512 7.118 -2.221 1.00 43.21 O ATOM 856 CG2 THR A 90 -17.705 5.232 -3.139 1.00 35.35 C ATOM 0 H THR A 90 -16.621 5.363 -0.351 1.00 53.33 H new ATOM 0 HA THR A 90 -15.346 3.942 -2.545 1.00 22.41 H new ATOM 0 HB THR A 90 -15.849 6.007 -3.841 1.00 62.12 H new ATOM 0 HG1 THR A 90 -17.079 7.701 -2.768 1.00 43.21 H new ATOM 0 HG21 THR A 90 -18.311 5.918 -3.731 1.00 35.35 H new ATOM 0 HG22 THR A 90 -17.583 4.295 -3.682 1.00 35.35 H new ATOM 0 HG23 THR A 90 -18.201 5.038 -2.188 1.00 35.35 H new ATOM 864 N GLY A 91 -13.149 5.212 -2.781 1.00 54.54 N ATOM 865 CA GLY A 91 -11.845 5.868 -2.820 1.00 33.32 C ATOM 866 C GLY A 91 -10.956 5.560 -1.615 1.00 10.15 C ATOM 867 O GLY A 91 -10.528 6.468 -0.896 1.00 42.44 O ATOM 0 H GLY A 91 -13.271 4.470 -3.470 1.00 54.54 H new ATOM 0 HA2 GLY A 91 -11.325 5.565 -3.729 1.00 33.32 H new ATOM 0 HA3 GLY A 91 -11.994 6.946 -2.882 1.00 33.32 H new ATOM 871 N ILE A 92 -10.662 4.283 -1.398 1.00 3.23 N ATOM 872 CA ILE A 92 -9.807 3.864 -0.281 1.00 22.12 C ATOM 873 C ILE A 92 -8.345 3.713 -0.734 1.00 54.44 C ATOM 874 O ILE A 92 -8.071 3.139 -1.787 1.00 43.42 O ATOM 875 CB ILE A 92 -10.301 2.527 0.328 1.00 31.11 C ATOM 876 CG1 ILE A 92 -11.765 2.657 0.784 1.00 11.24 C ATOM 877 CG2 ILE A 92 -9.407 2.097 1.494 1.00 73.34 C ATOM 878 CD1 ILE A 92 -12.356 1.376 1.343 1.00 20.22 C ATOM 0 H ILE A 92 -11.001 3.516 -1.978 1.00 3.23 H new ATOM 0 HA ILE A 92 -9.864 4.641 0.481 1.00 22.12 H new ATOM 0 HB ILE A 92 -10.245 1.757 -0.441 1.00 31.11 H new ATOM 0 HG12 ILE A 92 -11.830 3.436 1.544 1.00 11.24 H new ATOM 0 HG13 ILE A 92 -12.370 2.985 -0.061 1.00 11.24 H new ATOM 0 HG21 ILE A 92 -9.773 1.156 1.905 1.00 73.34 H new ATOM 0 HG22 ILE A 92 -8.385 1.965 1.139 1.00 73.34 H new ATOM 0 HG23 ILE A 92 -9.426 2.864 2.269 1.00 73.34 H new ATOM 0 HD11 ILE A 92 -13.390 1.552 1.641 1.00 20.22 H new ATOM 0 HD12 ILE A 92 -12.326 0.598 0.580 1.00 20.22 H new ATOM 0 HD13 ILE A 92 -11.778 1.056 2.210 1.00 20.22 H new ATOM 890 N ILE A 93 -7.410 4.240 0.060 1.00 45.14 N ATOM 891 CA ILE A 93 -5.980 4.173 -0.272 1.00 55.22 C ATOM 892 C ILE A 93 -5.183 3.364 0.763 1.00 5.52 C ATOM 893 O ILE A 93 -5.082 3.748 1.932 1.00 24.54 O ATOM 894 CB ILE A 93 -5.356 5.589 -0.384 1.00 52.51 C ATOM 895 CG1 ILE A 93 -6.098 6.413 -1.453 1.00 44.44 C ATOM 896 CG2 ILE A 93 -3.855 5.498 -0.701 1.00 32.01 C ATOM 897 CD1 ILE A 93 -5.560 7.817 -1.641 1.00 1.43 C ATOM 0 H ILE A 93 -7.615 4.718 0.937 1.00 45.14 H new ATOM 0 HA ILE A 93 -5.919 3.669 -1.237 1.00 55.22 H new ATOM 0 HB ILE A 93 -5.463 6.095 0.575 1.00 52.51 H new ATOM 0 HG12 ILE A 93 -6.043 5.885 -2.405 1.00 44.44 H new ATOM 0 HG13 ILE A 93 -7.152 6.473 -1.182 1.00 44.44 H new ATOM 0 HG21 ILE A 93 -3.437 6.502 -0.775 1.00 32.01 H new ATOM 0 HG22 ILE A 93 -3.348 4.952 0.094 1.00 32.01 H new ATOM 0 HG23 ILE A 93 -3.714 4.976 -1.647 1.00 32.01 H new ATOM 0 HD11 ILE A 93 -6.138 8.328 -2.411 1.00 1.43 H new ATOM 0 HD12 ILE A 93 -5.640 8.366 -0.703 1.00 1.43 H new ATOM 0 HD13 ILE A 93 -4.514 7.768 -1.945 1.00 1.43 H new ATOM 909 N VAL A 94 -4.633 2.238 0.324 1.00 41.34 N ATOM 910 CA VAL A 94 -3.709 1.448 1.139 1.00 3.24 C ATOM 911 C VAL A 94 -2.263 1.869 0.848 1.00 30.13 C ATOM 912 O VAL A 94 -1.716 1.558 -0.211 1.00 23.13 O ATOM 913 CB VAL A 94 -3.865 -0.068 0.860 1.00 62.33 C ATOM 914 CG1 VAL A 94 -2.951 -0.890 1.769 1.00 15.42 C ATOM 915 CG2 VAL A 94 -5.320 -0.496 1.021 1.00 62.13 C ATOM 0 H VAL A 94 -4.811 1.846 -0.601 1.00 41.34 H new ATOM 0 HA VAL A 94 -3.947 1.634 2.186 1.00 3.24 H new ATOM 0 HB VAL A 94 -3.566 -0.256 -0.171 1.00 62.33 H new ATOM 0 HG11 VAL A 94 -3.080 -1.950 1.552 1.00 15.42 H new ATOM 0 HG12 VAL A 94 -1.913 -0.608 1.593 1.00 15.42 H new ATOM 0 HG13 VAL A 94 -3.207 -0.699 2.811 1.00 15.42 H new ATOM 0 HG21 VAL A 94 -5.409 -1.564 0.821 1.00 62.13 H new ATOM 0 HG22 VAL A 94 -5.650 -0.289 2.039 1.00 62.13 H new ATOM 0 HG23 VAL A 94 -5.942 0.058 0.318 1.00 62.13 H new ATOM 925 N ARG A 95 -1.650 2.588 1.777 1.00 12.33 N ATOM 926 CA ARG A 95 -0.317 3.152 1.554 1.00 62.52 C ATOM 927 C ARG A 95 0.746 2.504 2.457 1.00 51.12 C ATOM 928 O ARG A 95 0.743 2.690 3.674 1.00 5.32 O ATOM 929 CB ARG A 95 -0.353 4.674 1.774 1.00 72.33 C ATOM 930 CG ARG A 95 0.982 5.353 1.531 1.00 73.41 C ATOM 931 CD ARG A 95 0.904 6.869 1.691 1.00 32.14 C ATOM 932 NE ARG A 95 0.382 7.522 0.492 1.00 51.05 N ATOM 933 CZ ARG A 95 0.647 8.756 0.158 1.00 31.23 C ATOM 934 NH1 ARG A 95 1.342 9.521 0.942 1.00 13.15 N ATOM 935 NH2 ARG A 95 0.198 9.229 -0.957 1.00 63.33 N ATOM 0 H ARG A 95 -2.049 2.797 2.692 1.00 12.33 H new ATOM 0 HA ARG A 95 -0.034 2.938 0.523 1.00 62.52 H new ATOM 0 HB2 ARG A 95 -1.100 5.111 1.111 1.00 72.33 H new ATOM 0 HB3 ARG A 95 -0.675 4.878 2.795 1.00 72.33 H new ATOM 0 HG2 ARG A 95 1.721 4.955 2.227 1.00 73.41 H new ATOM 0 HG3 ARG A 95 1.330 5.114 0.526 1.00 73.41 H new ATOM 0 HD2 ARG A 95 0.267 7.111 2.542 1.00 32.14 H new ATOM 0 HD3 ARG A 95 1.896 7.261 1.914 1.00 32.14 H new ATOM 0 HE ARG A 95 -0.227 6.980 -0.121 1.00 51.05 H new ATOM 0 HH11 ARG A 95 1.688 9.160 1.831 1.00 13.15 H new ATOM 0 HH12 ARG A 95 1.542 10.483 0.669 1.00 13.15 H new ATOM 0 HH21 ARG A 95 -0.361 8.639 -1.573 1.00 63.33 H new ATOM 0 HH22 ARG A 95 0.403 10.193 -1.222 1.00 63.33 H new ATOM 949 N TYR A 96 1.653 1.739 1.849 1.00 22.20 N ATOM 950 CA TYR A 96 2.760 1.107 2.581 1.00 3.12 C ATOM 951 C TYR A 96 3.983 2.031 2.656 1.00 31.11 C ATOM 952 O TYR A 96 4.346 2.678 1.674 1.00 42.01 O ATOM 953 CB TYR A 96 3.155 -0.219 1.915 1.00 15.40 C ATOM 954 CG TYR A 96 2.130 -1.318 2.098 1.00 31.32 C ATOM 955 CD1 TYR A 96 1.017 -1.404 1.272 1.00 63.13 C ATOM 956 CD2 TYR A 96 2.280 -2.270 3.102 1.00 75.42 C ATOM 957 CE1 TYR A 96 0.082 -2.406 1.440 1.00 31.11 C ATOM 958 CE2 TYR A 96 1.350 -3.276 3.274 1.00 63.21 C ATOM 959 CZ TYR A 96 0.252 -3.340 2.442 1.00 5.00 C ATOM 960 OH TYR A 96 -0.675 -4.342 2.606 1.00 11.11 O ATOM 0 H TYR A 96 1.646 1.539 0.849 1.00 22.20 H new ATOM 0 HA TYR A 96 2.414 0.913 3.596 1.00 3.12 H new ATOM 0 HB2 TYR A 96 3.307 -0.049 0.849 1.00 15.40 H new ATOM 0 HB3 TYR A 96 4.109 -0.552 2.324 1.00 15.40 H new ATOM 0 HD1 TYR A 96 0.881 -0.676 0.486 1.00 63.13 H new ATOM 0 HD2 TYR A 96 3.137 -2.221 3.757 1.00 75.42 H new ATOM 0 HE1 TYR A 96 -0.779 -2.459 0.790 1.00 31.11 H new ATOM 0 HE2 TYR A 96 1.482 -4.009 4.056 1.00 63.21 H new ATOM 0 HH TYR A 96 -0.407 -4.916 3.354 1.00 11.11 H new ATOM 970 N ILE A 97 4.620 2.073 3.826 1.00 23.13 N ATOM 971 CA ILE A 97 5.787 2.937 4.056 1.00 63.13 C ATOM 972 C ILE A 97 7.098 2.130 3.986 1.00 70.21 C ATOM 973 O ILE A 97 7.227 1.097 4.644 1.00 63.12 O ATOM 974 CB ILE A 97 5.696 3.617 5.450 1.00 60.10 C ATOM 975 CG1 ILE A 97 4.309 4.256 5.657 1.00 73.23 C ATOM 976 CG2 ILE A 97 6.805 4.660 5.618 1.00 74.44 C ATOM 977 CD1 ILE A 97 3.989 5.370 4.682 1.00 11.13 C ATOM 0 H ILE A 97 4.348 1.516 4.636 1.00 23.13 H new ATOM 0 HA ILE A 97 5.789 3.695 3.273 1.00 63.13 H new ATOM 0 HB ILE A 97 5.833 2.850 6.212 1.00 60.10 H new ATOM 0 HG12 ILE A 97 3.547 3.481 5.569 1.00 73.23 H new ATOM 0 HG13 ILE A 97 4.249 4.648 6.672 1.00 73.23 H new ATOM 0 HG21 ILE A 97 6.722 5.124 6.601 1.00 74.44 H new ATOM 0 HG22 ILE A 97 7.777 4.176 5.526 1.00 74.44 H new ATOM 0 HG23 ILE A 97 6.706 5.424 4.847 1.00 74.44 H new ATOM 0 HD11 ILE A 97 2.996 5.766 4.895 1.00 11.13 H new ATOM 0 HD12 ILE A 97 4.727 6.166 4.784 1.00 11.13 H new ATOM 0 HD13 ILE A 97 4.014 4.981 3.664 1.00 11.13 H new ATOM 989 N TYR A 98 8.067 2.598 3.195 1.00 51.33 N ATOM 990 CA TYR A 98 9.364 1.919 3.076 1.00 32.20 C ATOM 991 C TYR A 98 10.533 2.847 3.436 1.00 45.21 C ATOM 992 O TYR A 98 10.652 3.954 2.914 1.00 52.44 O ATOM 993 CB TYR A 98 9.563 1.393 1.646 1.00 62.24 C ATOM 994 CG TYR A 98 8.567 0.329 1.208 1.00 24.54 C ATOM 995 CD1 TYR A 98 7.365 0.679 0.601 1.00 54.32 C ATOM 996 CD2 TYR A 98 8.840 -1.024 1.384 1.00 71.41 C ATOM 997 CE1 TYR A 98 6.465 -0.286 0.189 1.00 62.20 C ATOM 998 CE2 TYR A 98 7.947 -1.994 0.967 1.00 63.43 C ATOM 999 CZ TYR A 98 6.760 -1.622 0.372 1.00 53.23 C ATOM 1000 OH TYR A 98 5.871 -2.587 -0.052 1.00 44.42 O ATOM 0 H TYR A 98 7.981 3.442 2.628 1.00 51.33 H new ATOM 0 HA TYR A 98 9.355 1.088 3.782 1.00 32.20 H new ATOM 0 HB2 TYR A 98 9.502 2.233 0.954 1.00 62.24 H new ATOM 0 HB3 TYR A 98 10.570 0.983 1.562 1.00 62.24 H new ATOM 0 HD1 TYR A 98 7.131 1.722 0.449 1.00 54.32 H new ATOM 0 HD2 TYR A 98 9.765 -1.322 1.854 1.00 71.41 H new ATOM 0 HE1 TYR A 98 5.534 0.004 -0.275 1.00 62.20 H new ATOM 0 HE2 TYR A 98 8.179 -3.040 1.107 1.00 63.43 H new ATOM 0 HH TYR A 98 5.902 -2.654 -1.029 1.00 44.42 H new ATOM 1010 N ASP A 99 11.397 2.385 4.328 1.00 53.23 N ATOM 1011 CA ASP A 99 12.638 3.088 4.623 1.00 2.11 C ATOM 1012 C ASP A 99 13.668 2.860 3.509 1.00 73.01 C ATOM 1013 O ASP A 99 13.848 1.734 3.038 1.00 45.53 O ATOM 1014 CB ASP A 99 13.219 2.615 5.959 1.00 42.40 C ATOM 1015 CG ASP A 99 12.440 3.127 7.154 1.00 12.03 C ATOM 1016 OD1 ASP A 99 12.767 4.220 7.660 1.00 34.01 O ATOM 1017 OD2 ASP A 99 11.504 2.444 7.600 1.00 41.54 O ATOM 0 H ASP A 99 11.262 1.526 4.861 1.00 53.23 H new ATOM 0 HA ASP A 99 12.413 4.153 4.687 1.00 2.11 H new ATOM 0 HB2 ASP A 99 13.231 1.525 5.979 1.00 42.40 H new ATOM 0 HB3 ASP A 99 14.254 2.947 6.037 1.00 42.40 H new ATOM 1022 N LYS A 100 14.339 3.925 3.088 1.00 60.43 N ATOM 1023 CA LYS A 100 15.387 3.816 2.078 1.00 70.33 C ATOM 1024 C LYS A 100 16.658 3.224 2.707 1.00 13.12 C ATOM 1025 O LYS A 100 17.313 3.859 3.539 1.00 5.32 O ATOM 1026 CB LYS A 100 15.640 5.196 1.464 1.00 50.30 C ATOM 1027 CG LYS A 100 16.408 5.171 0.149 1.00 15.41 C ATOM 1028 CD LYS A 100 16.203 6.464 -0.634 1.00 42.34 C ATOM 1029 CE LYS A 100 16.584 7.701 0.176 1.00 42.24 C ATOM 1030 NZ LYS A 100 16.155 8.959 -0.494 1.00 4.24 N ATOM 0 H LYS A 100 14.177 4.873 3.429 1.00 60.43 H new ATOM 0 HA LYS A 100 15.074 3.143 1.280 1.00 70.33 H new ATOM 0 HB2 LYS A 100 14.681 5.688 1.301 1.00 50.30 H new ATOM 0 HB3 LYS A 100 16.192 5.803 2.181 1.00 50.30 H new ATOM 0 HG2 LYS A 100 17.470 5.028 0.348 1.00 15.41 H new ATOM 0 HG3 LYS A 100 16.079 4.323 -0.451 1.00 15.41 H new ATOM 0 HD2 LYS A 100 16.800 6.432 -1.546 1.00 42.34 H new ATOM 0 HD3 LYS A 100 15.159 6.540 -0.939 1.00 42.34 H new ATOM 0 HE2 LYS A 100 16.127 7.642 1.164 1.00 42.24 H new ATOM 0 HE3 LYS A 100 17.664 7.719 0.324 1.00 42.24 H new ATOM 0 HZ1 LYS A 100 16.433 9.775 0.088 1.00 4.24 H new ATOM 0 HZ2 LYS A 100 16.610 9.028 -1.426 1.00 4.24 H new ATOM 0 HZ3 LYS A 100 15.122 8.954 -0.613 1.00 4.24 H new ATOM 1044 N ILE A 101 16.986 2.002 2.306 1.00 62.14 N ATOM 1045 CA ILE A 101 18.009 1.202 2.988 1.00 72.34 C ATOM 1046 C ILE A 101 19.423 1.773 2.813 1.00 31.34 C ATOM 1047 O ILE A 101 20.030 1.674 1.740 1.00 24.04 O ATOM 1048 CB ILE A 101 17.996 -0.277 2.510 1.00 61.44 C ATOM 1049 CG1 ILE A 101 16.624 -0.919 2.768 1.00 64.34 C ATOM 1050 CG2 ILE A 101 19.094 -1.077 3.208 1.00 10.03 C ATOM 1051 CD1 ILE A 101 16.542 -2.375 2.344 1.00 21.32 C ATOM 0 H ILE A 101 16.557 1.536 1.506 1.00 62.14 H new ATOM 0 HA ILE A 101 17.752 1.243 4.046 1.00 72.34 H new ATOM 0 HB ILE A 101 18.187 -0.288 1.437 1.00 61.44 H new ATOM 0 HG12 ILE A 101 16.392 -0.846 3.831 1.00 64.34 H new ATOM 0 HG13 ILE A 101 15.861 -0.351 2.235 1.00 64.34 H new ATOM 0 HG21 ILE A 101 19.069 -2.110 2.860 1.00 10.03 H new ATOM 0 HG22 ILE A 101 20.065 -0.640 2.977 1.00 10.03 H new ATOM 0 HG23 ILE A 101 18.932 -1.053 4.286 1.00 10.03 H new ATOM 0 HD11 ILE A 101 15.545 -2.760 2.557 1.00 21.32 H new ATOM 0 HD12 ILE A 101 16.741 -2.455 1.275 1.00 21.32 H new ATOM 0 HD13 ILE A 101 17.281 -2.957 2.895 1.00 21.32 H new ATOM 1063 N ILE A 102 19.949 2.360 3.881 1.00 51.03 N ATOM 1064 CA ILE A 102 21.327 2.844 3.885 1.00 3.44 C ATOM 1065 C ILE A 102 22.294 1.681 4.129 1.00 10.35 C ATOM 1066 O ILE A 102 22.776 1.455 5.242 1.00 40.12 O ATOM 1067 CB ILE A 102 21.552 3.951 4.942 1.00 44.24 C ATOM 1068 CG1 ILE A 102 20.540 5.089 4.745 1.00 54.51 C ATOM 1069 CG2 ILE A 102 22.987 4.486 4.874 1.00 13.33 C ATOM 1070 CD1 ILE A 102 20.576 5.726 3.369 1.00 73.02 C ATOM 0 H ILE A 102 19.445 2.513 4.754 1.00 51.03 H new ATOM 0 HA ILE A 102 21.522 3.281 2.906 1.00 3.44 H new ATOM 0 HB ILE A 102 21.400 3.518 5.931 1.00 44.24 H new ATOM 0 HG12 ILE A 102 19.537 4.703 4.928 1.00 54.51 H new ATOM 0 HG13 ILE A 102 20.727 5.859 5.494 1.00 54.51 H new ATOM 0 HG21 ILE A 102 23.122 5.263 5.626 1.00 13.33 H new ATOM 0 HG22 ILE A 102 23.688 3.673 5.063 1.00 13.33 H new ATOM 0 HG23 ILE A 102 23.173 4.903 3.884 1.00 13.33 H new ATOM 0 HD11 ILE A 102 19.830 6.519 3.316 1.00 73.02 H new ATOM 0 HD12 ILE A 102 21.566 6.145 3.188 1.00 73.02 H new ATOM 0 HD13 ILE A 102 20.358 4.972 2.613 1.00 73.02 H new ATOM 1082 N ASP A 103 22.527 0.919 3.075 1.00 70.04 N ATOM 1083 CA ASP A 103 23.418 -0.250 3.126 1.00 12.44 C ATOM 1084 C ASP A 103 24.121 -0.471 1.788 1.00 52.13 C ATOM 1085 O ASP A 103 25.210 -1.042 1.715 1.00 33.05 O ATOM 1086 CB ASP A 103 22.623 -1.496 3.529 1.00 11.02 C ATOM 1087 CG ASP A 103 23.502 -2.719 3.742 1.00 13.53 C ATOM 1088 OD1 ASP A 103 24.097 -2.845 4.835 1.00 2.52 O ATOM 1089 OD2 ASP A 103 23.594 -3.562 2.825 1.00 64.22 O ATOM 0 H ASP A 103 22.111 1.083 2.158 1.00 70.04 H new ATOM 0 HA ASP A 103 24.187 -0.061 3.875 1.00 12.44 H new ATOM 0 HB2 ASP A 103 22.072 -1.288 4.446 1.00 11.02 H new ATOM 0 HB3 ASP A 103 21.886 -1.715 2.757 1.00 11.02 H new ATOM 1094 N VAL A 104 23.480 -0.006 0.740 1.00 31.55 N ATOM 1095 CA VAL A 104 24.039 -0.056 -0.608 1.00 71.44 C ATOM 1096 C VAL A 104 25.109 1.029 -0.790 1.00 31.31 C ATOM 1097 O VAL A 104 24.842 2.123 -1.291 1.00 45.11 O ATOM 1098 CB VAL A 104 22.936 0.070 -1.695 1.00 43.01 C ATOM 1099 CG1 VAL A 104 22.101 -1.208 -1.759 1.00 12.24 C ATOM 1100 CG2 VAL A 104 22.036 1.283 -1.434 1.00 53.43 C ATOM 0 H VAL A 104 22.554 0.420 0.790 1.00 31.55 H new ATOM 0 HA VAL A 104 24.508 -1.032 -0.733 1.00 71.44 H new ATOM 0 HB VAL A 104 23.428 0.216 -2.657 1.00 43.01 H new ATOM 0 HG11 VAL A 104 21.333 -1.103 -2.525 1.00 12.24 H new ATOM 0 HG12 VAL A 104 22.746 -2.052 -2.005 1.00 12.24 H new ATOM 0 HG13 VAL A 104 21.628 -1.382 -0.793 1.00 12.24 H new ATOM 0 HG21 VAL A 104 21.274 1.345 -2.211 1.00 53.43 H new ATOM 0 HG22 VAL A 104 21.555 1.177 -0.462 1.00 53.43 H new ATOM 0 HG23 VAL A 104 22.638 2.192 -1.443 1.00 53.43 H new ATOM 1110 N SER A 105 26.311 0.723 -0.320 1.00 14.04 N ATOM 1111 CA SER A 105 27.444 1.658 -0.383 1.00 52.45 C ATOM 1112 C SER A 105 27.797 2.038 -1.832 1.00 62.33 C ATOM 1113 O SER A 105 28.679 1.439 -2.457 1.00 32.13 O ATOM 1114 CB SER A 105 28.672 1.066 0.322 1.00 13.12 C ATOM 1115 OG SER A 105 29.734 2.009 0.393 1.00 60.45 O ATOM 0 H SER A 105 26.535 -0.172 0.114 1.00 14.04 H new ATOM 0 HA SER A 105 27.140 2.568 0.133 1.00 52.45 H new ATOM 0 HB2 SER A 105 28.398 0.748 1.328 1.00 13.12 H new ATOM 0 HB3 SER A 105 29.007 0.177 -0.213 1.00 13.12 H new ATOM 0 HG SER A 105 30.501 1.604 0.848 1.00 60.45 H new ATOM 1121 N TYR A 106 27.064 3.011 -2.369 1.00 15.14 N ATOM 1122 CA TYR A 106 27.312 3.541 -3.713 1.00 35.32 C ATOM 1123 C TYR A 106 27.501 5.064 -3.685 1.00 24.25 C ATOM 1124 O TYR A 106 26.550 5.813 -3.462 1.00 43.02 O ATOM 1125 CB TYR A 106 26.146 3.189 -4.648 1.00 73.13 C ATOM 1126 CG TYR A 106 26.132 1.750 -5.118 1.00 64.40 C ATOM 1127 CD1 TYR A 106 26.943 1.338 -6.169 1.00 12.03 C ATOM 1128 CD2 TYR A 106 25.294 0.812 -4.529 1.00 22.14 C ATOM 1129 CE1 TYR A 106 26.921 0.033 -6.617 1.00 44.42 C ATOM 1130 CE2 TYR A 106 25.261 -0.493 -4.974 1.00 62.11 C ATOM 1131 CZ TYR A 106 26.077 -0.878 -6.018 1.00 50.52 C ATOM 1132 OH TYR A 106 26.042 -2.178 -6.470 1.00 41.14 O ATOM 0 H TYR A 106 26.282 3.455 -1.888 1.00 15.14 H new ATOM 0 HA TYR A 106 28.229 3.084 -4.084 1.00 35.32 H new ATOM 0 HB2 TYR A 106 25.208 3.399 -4.134 1.00 73.13 H new ATOM 0 HB3 TYR A 106 26.185 3.842 -5.520 1.00 73.13 H new ATOM 0 HD1 TYR A 106 27.601 2.051 -6.643 1.00 12.03 H new ATOM 0 HD2 TYR A 106 24.658 1.110 -3.709 1.00 22.14 H new ATOM 0 HE1 TYR A 106 27.561 -0.273 -7.432 1.00 44.42 H new ATOM 0 HE2 TYR A 106 24.600 -1.209 -4.508 1.00 62.11 H new ATOM 0 HH TYR A 106 25.396 -2.691 -5.941 1.00 41.14 H new ATOM 1142 N VAL A 107 28.730 5.518 -3.907 1.00 42.04 N ATOM 1143 CA VAL A 107 29.010 6.952 -3.986 1.00 1.35 C ATOM 1144 C VAL A 107 28.746 7.471 -5.408 1.00 22.24 C ATOM 1145 O VAL A 107 29.567 7.289 -6.315 1.00 52.32 O ATOM 1146 CB VAL A 107 30.468 7.275 -3.574 1.00 0.22 C ATOM 1147 CG1 VAL A 107 30.718 8.784 -3.574 1.00 15.24 C ATOM 1148 CG2 VAL A 107 30.790 6.667 -2.206 1.00 3.54 C ATOM 0 H VAL A 107 29.546 4.919 -4.035 1.00 42.04 H new ATOM 0 HA VAL A 107 28.342 7.454 -3.286 1.00 1.35 H new ATOM 0 HB VAL A 107 31.135 6.827 -4.311 1.00 0.22 H new ATOM 0 HG11 VAL A 107 31.749 8.982 -3.281 1.00 15.24 H new ATOM 0 HG12 VAL A 107 30.542 9.182 -4.573 1.00 15.24 H new ATOM 0 HG13 VAL A 107 30.041 9.265 -2.867 1.00 15.24 H new ATOM 0 HG21 VAL A 107 31.819 6.905 -1.935 1.00 3.54 H new ATOM 0 HG22 VAL A 107 30.113 7.078 -1.457 1.00 3.54 H new ATOM 0 HG23 VAL A 107 30.668 5.585 -2.251 1.00 3.54 H new ATOM 1158 N ASP A 108 27.594 8.101 -5.603 1.00 23.00 N ATOM 1159 CA ASP A 108 27.174 8.543 -6.935 1.00 54.45 C ATOM 1160 C ASP A 108 26.334 9.835 -6.877 1.00 75.21 C ATOM 1161 O ASP A 108 25.670 10.113 -5.878 1.00 44.04 O ATOM 1162 CB ASP A 108 26.383 7.420 -7.613 1.00 54.32 C ATOM 1163 CG ASP A 108 25.942 7.791 -9.011 1.00 12.04 C ATOM 1164 OD1 ASP A 108 26.783 7.769 -9.931 1.00 60.10 O ATOM 1165 OD2 ASP A 108 24.757 8.123 -9.197 1.00 61.44 O ATOM 0 H ASP A 108 26.932 8.319 -4.859 1.00 23.00 H new ATOM 0 HA ASP A 108 28.067 8.770 -7.517 1.00 54.45 H new ATOM 0 HB2 ASP A 108 26.997 6.520 -7.655 1.00 54.32 H new ATOM 0 HB3 ASP A 108 25.507 7.180 -7.010 1.00 54.32 H new ATOM 1170 N GLU A 109 26.377 10.619 -7.961 1.00 12.32 N ATOM 1171 CA GLU A 109 25.612 11.878 -8.058 1.00 74.42 C ATOM 1172 C GLU A 109 24.713 11.908 -9.309 1.00 63.13 C ATOM 1173 O GLU A 109 23.955 12.858 -9.516 1.00 34.41 O ATOM 1174 CB GLU A 109 26.574 13.074 -8.109 1.00 71.33 C ATOM 1175 CG GLU A 109 27.563 13.143 -6.949 1.00 71.14 C ATOM 1176 CD GLU A 109 28.529 14.311 -7.079 1.00 22.32 C ATOM 1177 OE1 GLU A 109 29.343 14.308 -8.024 1.00 32.05 O ATOM 1178 OE2 GLU A 109 28.469 15.242 -6.249 1.00 52.44 O ATOM 0 H GLU A 109 26.934 10.407 -8.789 1.00 12.32 H new ATOM 0 HA GLU A 109 24.976 11.940 -7.175 1.00 74.42 H new ATOM 0 HB2 GLU A 109 27.133 13.034 -9.044 1.00 71.33 H new ATOM 0 HB3 GLU A 109 25.989 13.994 -8.126 1.00 71.33 H new ATOM 0 HG2 GLU A 109 27.014 13.232 -6.012 1.00 71.14 H new ATOM 0 HG3 GLU A 109 28.128 12.212 -6.901 1.00 71.14 H new ATOM 1185 N THR A 110 24.789 10.860 -10.130 1.00 61.41 N ATOM 1186 CA THR A 110 24.086 10.833 -11.426 1.00 1.15 C ATOM 1187 C THR A 110 22.583 10.567 -11.264 1.00 34.14 C ATOM 1188 O THR A 110 21.805 10.750 -12.207 1.00 65.31 O ATOM 1189 CB THR A 110 24.683 9.769 -12.384 1.00 44.00 C ATOM 1190 OG1 THR A 110 24.447 8.443 -11.883 1.00 62.31 O ATOM 1191 CG2 THR A 110 26.184 9.979 -12.564 1.00 0.43 C ATOM 0 H THR A 110 25.327 10.018 -9.927 1.00 61.41 H new ATOM 0 HA THR A 110 24.225 11.824 -11.858 1.00 1.15 H new ATOM 0 HB THR A 110 24.189 9.882 -13.349 1.00 44.00 H new ATOM 0 HG1 THR A 110 24.427 8.462 -10.903 1.00 62.31 H new ATOM 0 HG21 THR A 110 26.579 9.221 -13.240 1.00 0.43 H new ATOM 0 HG22 THR A 110 26.365 10.969 -12.983 1.00 0.43 H new ATOM 0 HG23 THR A 110 26.681 9.898 -11.597 1.00 0.43 H new ATOM 1199 N GLY A 111 22.175 10.144 -10.070 1.00 53.35 N ATOM 1200 CA GLY A 111 20.768 9.879 -9.801 1.00 25.20 C ATOM 1201 C GLY A 111 20.150 10.864 -8.810 1.00 50.12 C ATOM 1202 O GLY A 111 20.844 11.701 -8.228 1.00 24.11 O ATOM 0 H GLY A 111 22.797 9.979 -9.278 1.00 53.35 H new ATOM 0 HA2 GLY A 111 20.212 9.918 -10.738 1.00 25.20 H new ATOM 0 HA3 GLY A 111 20.664 8.867 -9.411 1.00 25.20 H new ATOM 1206 N LYS A 112 18.842 10.742 -8.617 1.00 32.50 N ATOM 1207 CA LYS A 112 18.074 11.629 -7.730 1.00 32.23 C ATOM 1208 C LYS A 112 16.620 11.132 -7.651 1.00 63.24 C ATOM 1209 O LYS A 112 16.200 10.542 -6.656 1.00 51.20 O ATOM 1210 CB LYS A 112 18.120 13.087 -8.255 1.00 73.35 C ATOM 1211 CG LYS A 112 17.761 14.175 -7.229 1.00 35.35 C ATOM 1212 CD LYS A 112 16.344 14.026 -6.668 1.00 31.41 C ATOM 1213 CE LYS A 112 15.943 15.208 -5.794 1.00 63.34 C ATOM 1214 NZ LYS A 112 15.751 16.446 -6.590 1.00 64.33 N ATOM 0 H LYS A 112 18.276 10.025 -9.070 1.00 32.50 H new ATOM 0 HA LYS A 112 18.514 11.613 -6.733 1.00 32.23 H new ATOM 0 HB2 LYS A 112 19.123 13.286 -8.633 1.00 73.35 H new ATOM 0 HB3 LYS A 112 17.438 13.171 -9.101 1.00 73.35 H new ATOM 0 HG2 LYS A 112 18.476 14.142 -6.407 1.00 35.35 H new ATOM 0 HG3 LYS A 112 17.859 15.154 -7.697 1.00 35.35 H new ATOM 0 HD2 LYS A 112 15.637 13.930 -7.492 1.00 31.41 H new ATOM 0 HD3 LYS A 112 16.281 13.107 -6.085 1.00 31.41 H new ATOM 0 HE2 LYS A 112 15.021 14.971 -5.264 1.00 63.34 H new ATOM 0 HE3 LYS A 112 16.710 15.378 -5.039 1.00 63.34 H new ATOM 0 HZ1 LYS A 112 15.303 17.174 -5.997 1.00 64.33 H new ATOM 0 HZ2 LYS A 112 16.674 16.791 -6.923 1.00 64.33 H new ATOM 0 HZ3 LYS A 112 15.142 16.242 -7.408 1.00 64.33 H new ATOM 1228 N ASP A 113 15.871 11.368 -8.729 1.00 1.34 N ATOM 1229 CA ASP A 113 14.468 10.953 -8.825 1.00 74.32 C ATOM 1230 C ASP A 113 13.965 11.161 -10.260 1.00 13.22 C ATOM 1231 O ASP A 113 14.043 12.266 -10.799 1.00 43.13 O ATOM 1232 CB ASP A 113 13.604 11.738 -7.830 1.00 24.01 C ATOM 1233 CG ASP A 113 12.175 11.233 -7.777 1.00 43.12 C ATOM 1234 OD1 ASP A 113 11.967 10.074 -7.361 1.00 31.24 O ATOM 1235 OD2 ASP A 113 11.254 11.985 -8.154 1.00 24.11 O ATOM 0 H ASP A 113 16.217 11.850 -9.558 1.00 1.34 H new ATOM 0 HA ASP A 113 14.393 9.895 -8.574 1.00 74.32 H new ATOM 0 HB2 ASP A 113 14.047 11.670 -6.836 1.00 24.01 H new ATOM 0 HB3 ASP A 113 13.603 12.792 -8.107 1.00 24.01 H new ATOM 1240 N LEU A 114 13.474 10.092 -10.883 1.00 72.01 N ATOM 1241 CA LEU A 114 13.081 10.129 -12.298 1.00 73.41 C ATOM 1242 C LEU A 114 11.572 9.921 -12.479 1.00 61.01 C ATOM 1243 O LEU A 114 10.931 9.223 -11.691 1.00 35.20 O ATOM 1244 CB LEU A 114 13.847 9.057 -13.096 1.00 43.11 C ATOM 1245 CG LEU A 114 15.377 9.227 -13.158 1.00 34.22 C ATOM 1246 CD1 LEU A 114 15.744 10.656 -13.539 1.00 25.11 C ATOM 1247 CD2 LEU A 114 16.040 8.820 -11.841 1.00 60.03 C ATOM 0 H LEU A 114 13.337 9.187 -10.434 1.00 72.01 H new ATOM 0 HA LEU A 114 13.334 11.119 -12.676 1.00 73.41 H new ATOM 0 HB2 LEU A 114 13.627 8.082 -12.661 1.00 43.11 H new ATOM 0 HB3 LEU A 114 13.461 9.046 -14.115 1.00 43.11 H new ATOM 0 HG LEU A 114 15.756 8.560 -13.932 1.00 34.22 H new ATOM 0 HD11 LEU A 114 16.829 10.755 -13.577 1.00 25.11 H new ATOM 0 HD12 LEU A 114 15.323 10.891 -14.517 1.00 25.11 H new ATOM 0 HD13 LEU A 114 15.343 11.345 -12.796 1.00 25.11 H new ATOM 0 HD21 LEU A 114 17.119 8.953 -11.921 1.00 60.03 H new ATOM 0 HD22 LEU A 114 15.656 9.443 -11.033 1.00 60.03 H new ATOM 0 HD23 LEU A 114 15.818 7.774 -11.630 1.00 60.03 H new ATOM 1259 N LEU A 115 11.007 10.530 -13.524 1.00 51.52 N ATOM 1260 CA LEU A 115 9.580 10.371 -13.840 1.00 43.21 C ATOM 1261 C LEU A 115 9.347 9.996 -15.314 1.00 73.44 C ATOM 1262 O LEU A 115 10.208 10.226 -16.171 1.00 32.41 O ATOM 1263 CB LEU A 115 8.797 11.656 -13.515 1.00 5.30 C ATOM 1264 CG LEU A 115 8.448 11.872 -12.030 1.00 21.30 C ATOM 1265 CD1 LEU A 115 9.595 12.545 -11.280 1.00 41.42 C ATOM 1266 CD2 LEU A 115 7.149 12.666 -11.898 1.00 62.52 C ATOM 0 H LEU A 115 11.513 11.138 -14.167 1.00 51.52 H new ATOM 0 HA LEU A 115 9.217 9.553 -13.218 1.00 43.21 H new ATOM 0 HB2 LEU A 115 9.379 12.511 -13.860 1.00 5.30 H new ATOM 0 HB3 LEU A 115 7.870 11.649 -14.089 1.00 5.30 H new ATOM 0 HG LEU A 115 8.296 10.896 -11.570 1.00 21.30 H new ATOM 0 HD11 LEU A 115 9.316 12.683 -10.235 1.00 41.42 H new ATOM 0 HD12 LEU A 115 10.485 11.918 -11.338 1.00 41.42 H new ATOM 0 HD13 LEU A 115 9.804 13.515 -11.730 1.00 41.42 H new ATOM 0 HD21 LEU A 115 6.916 12.810 -10.843 1.00 62.52 H new ATOM 0 HD22 LEU A 115 7.265 13.637 -12.380 1.00 62.52 H new ATOM 0 HD23 LEU A 115 6.337 12.118 -12.377 1.00 62.52 H new ATOM 1278 N PRO A 116 8.173 9.403 -15.622 1.00 61.11 N ATOM 1279 CA PRO A 116 7.762 9.104 -17.005 1.00 33.45 C ATOM 1280 C PRO A 116 7.118 10.313 -17.715 1.00 53.22 C ATOM 1281 O PRO A 116 7.025 11.405 -17.148 1.00 63.11 O ATOM 1282 CB PRO A 116 6.729 7.994 -16.800 1.00 23.34 C ATOM 1283 CG PRO A 116 6.077 8.332 -15.502 1.00 31.11 C ATOM 1284 CD PRO A 116 7.154 8.952 -14.644 1.00 63.04 C ATOM 0 HA PRO A 116 8.606 8.833 -17.640 1.00 33.45 H new ATOM 0 HB2 PRO A 116 6.005 7.969 -17.614 1.00 23.34 H new ATOM 0 HB3 PRO A 116 7.202 7.012 -16.764 1.00 23.34 H new ATOM 0 HG2 PRO A 116 5.249 9.025 -15.650 1.00 31.11 H new ATOM 0 HG3 PRO A 116 5.666 7.441 -15.028 1.00 31.11 H new ATOM 0 HD2 PRO A 116 6.767 9.785 -14.057 1.00 63.04 H new ATOM 0 HD3 PRO A 116 7.568 8.231 -13.939 1.00 63.04 H new ATOM 1292 N VAL A 117 6.677 10.115 -18.959 1.00 53.31 N ATOM 1293 CA VAL A 117 5.966 11.166 -19.703 1.00 52.45 C ATOM 1294 C VAL A 117 4.484 11.243 -19.283 1.00 65.05 C ATOM 1295 O VAL A 117 3.646 10.450 -19.726 1.00 41.20 O ATOM 1296 CB VAL A 117 6.079 10.967 -21.242 1.00 10.43 C ATOM 1297 CG1 VAL A 117 7.509 11.228 -21.714 1.00 52.55 C ATOM 1298 CG2 VAL A 117 5.627 9.563 -21.654 1.00 44.45 C ATOM 0 H VAL A 117 6.797 9.242 -19.473 1.00 53.31 H new ATOM 0 HA VAL A 117 6.449 12.110 -19.452 1.00 52.45 H new ATOM 0 HB VAL A 117 5.417 11.688 -21.722 1.00 10.43 H new ATOM 0 HG11 VAL A 117 7.568 11.084 -22.793 1.00 52.55 H new ATOM 0 HG12 VAL A 117 7.792 12.252 -21.469 1.00 52.55 H new ATOM 0 HG13 VAL A 117 8.188 10.535 -21.218 1.00 52.55 H new ATOM 0 HG21 VAL A 117 5.717 9.454 -22.735 1.00 44.45 H new ATOM 0 HG22 VAL A 117 6.253 8.820 -21.161 1.00 44.45 H new ATOM 0 HG23 VAL A 117 4.588 9.414 -21.360 1.00 44.45 H new ATOM 1308 N VAL A 118 4.169 12.191 -18.405 1.00 71.24 N ATOM 1309 CA VAL A 118 2.802 12.352 -17.900 1.00 70.40 C ATOM 1310 C VAL A 118 1.883 13.016 -18.943 1.00 41.40 C ATOM 1311 O VAL A 118 2.128 14.139 -19.391 1.00 4.41 O ATOM 1312 CB VAL A 118 2.782 13.160 -16.576 1.00 63.14 C ATOM 1313 CG1 VAL A 118 3.467 12.374 -15.459 1.00 43.20 C ATOM 1314 CG2 VAL A 118 3.448 14.522 -16.757 1.00 64.15 C ATOM 0 H VAL A 118 4.839 12.861 -18.026 1.00 71.24 H new ATOM 0 HA VAL A 118 2.418 11.351 -17.700 1.00 70.40 H new ATOM 0 HB VAL A 118 1.742 13.326 -16.297 1.00 63.14 H new ATOM 0 HG11 VAL A 118 3.444 12.956 -14.538 1.00 43.20 H new ATOM 0 HG12 VAL A 118 2.944 11.430 -15.305 1.00 43.20 H new ATOM 0 HG13 VAL A 118 4.502 12.175 -15.736 1.00 43.20 H new ATOM 0 HG21 VAL A 118 3.421 15.068 -15.814 1.00 64.15 H new ATOM 0 HG22 VAL A 118 4.484 14.382 -17.066 1.00 64.15 H new ATOM 0 HG23 VAL A 118 2.915 15.089 -17.521 1.00 64.15 H new ATOM 1324 N GLU A 119 0.821 12.303 -19.325 1.00 65.45 N ATOM 1325 CA GLU A 119 -0.097 12.769 -20.372 1.00 74.05 C ATOM 1326 C GLU A 119 -1.528 12.256 -20.125 1.00 32.13 C ATOM 1327 O GLU A 119 -1.725 11.094 -19.765 1.00 13.43 O ATOM 1328 CB GLU A 119 0.412 12.289 -21.741 1.00 45.22 C ATOM 1329 CG GLU A 119 -0.382 12.819 -22.929 1.00 51.41 C ATOM 1330 CD GLU A 119 0.133 12.281 -24.252 1.00 12.44 C ATOM 1331 OE1 GLU A 119 1.178 12.765 -24.733 1.00 54.32 O ATOM 1332 OE2 GLU A 119 -0.501 11.369 -24.819 1.00 41.40 O ATOM 0 H GLU A 119 0.573 11.398 -18.925 1.00 65.45 H new ATOM 0 HA GLU A 119 -0.128 13.858 -20.353 1.00 74.05 H new ATOM 0 HB2 GLU A 119 1.454 12.589 -21.853 1.00 45.22 H new ATOM 0 HB3 GLU A 119 0.390 11.199 -21.762 1.00 45.22 H new ATOM 0 HG2 GLU A 119 -1.431 12.547 -22.812 1.00 51.41 H new ATOM 0 HG3 GLU A 119 -0.334 13.908 -22.939 1.00 51.41 H new ATOM 1339 N ILE A 120 -2.522 13.124 -20.324 1.00 13.24 N ATOM 1340 CA ILE A 120 -3.935 12.774 -20.092 1.00 60.42 C ATOM 1341 C ILE A 120 -4.612 12.233 -21.367 1.00 54.20 C ATOM 1342 O ILE A 120 -4.510 12.835 -22.436 1.00 60.40 O ATOM 1343 CB ILE A 120 -4.727 14.005 -19.571 1.00 62.40 C ATOM 1344 CG1 ILE A 120 -4.135 14.506 -18.240 1.00 60.30 C ATOM 1345 CG2 ILE A 120 -6.212 13.676 -19.409 1.00 64.35 C ATOM 1346 CD1 ILE A 120 -4.192 13.489 -17.116 1.00 71.44 C ATOM 0 H ILE A 120 -2.379 14.081 -20.647 1.00 13.24 H new ATOM 0 HA ILE A 120 -3.946 11.986 -19.339 1.00 60.42 H new ATOM 0 HB ILE A 120 -4.637 14.800 -20.311 1.00 62.40 H new ATOM 0 HG12 ILE A 120 -3.097 14.795 -18.402 1.00 60.30 H new ATOM 0 HG13 ILE A 120 -4.671 15.404 -17.931 1.00 60.30 H new ATOM 0 HG21 ILE A 120 -6.742 14.556 -19.043 1.00 64.35 H new ATOM 0 HG22 ILE A 120 -6.626 13.378 -20.372 1.00 64.35 H new ATOM 0 HG23 ILE A 120 -6.328 12.860 -18.696 1.00 64.35 H new ATOM 0 HD11 ILE A 120 -3.756 13.919 -16.214 1.00 71.44 H new ATOM 0 HD12 ILE A 120 -5.230 13.217 -16.923 1.00 71.44 H new ATOM 0 HD13 ILE A 120 -3.631 12.599 -17.402 1.00 71.44 H new ATOM 1358 N ILE A 121 -5.307 11.097 -21.246 1.00 20.04 N ATOM 1359 CA ILE A 121 -6.000 10.473 -22.395 1.00 10.31 C ATOM 1360 C ILE A 121 -7.377 11.114 -22.680 1.00 42.42 C ATOM 1361 O ILE A 121 -7.936 10.925 -23.762 1.00 1.42 O ATOM 1362 CB ILE A 121 -6.193 8.936 -22.218 1.00 50.43 C ATOM 1363 CG1 ILE A 121 -7.220 8.601 -21.112 1.00 34.54 C ATOM 1364 CG2 ILE A 121 -4.855 8.254 -21.936 1.00 32.41 C ATOM 1365 CD1 ILE A 121 -6.785 8.962 -19.706 1.00 45.14 C ATOM 0 H ILE A 121 -5.409 10.586 -20.369 1.00 20.04 H new ATOM 0 HA ILE A 121 -5.342 10.653 -23.245 1.00 10.31 H new ATOM 0 HB ILE A 121 -6.593 8.551 -23.156 1.00 50.43 H new ATOM 0 HG12 ILE A 121 -8.152 9.121 -21.333 1.00 34.54 H new ATOM 0 HG13 ILE A 121 -7.434 7.533 -21.147 1.00 34.54 H new ATOM 0 HG21 ILE A 121 -5.011 7.182 -21.816 1.00 32.41 H new ATOM 0 HG22 ILE A 121 -4.174 8.430 -22.769 1.00 32.41 H new ATOM 0 HG23 ILE A 121 -4.424 8.663 -21.022 1.00 32.41 H new ATOM 0 HD11 ILE A 121 -7.570 8.689 -19.001 1.00 45.14 H new ATOM 0 HD12 ILE A 121 -5.871 8.422 -19.458 1.00 45.14 H new ATOM 0 HD13 ILE A 121 -6.600 10.035 -19.646 1.00 45.14 H new ATOM 1377 N ASN A 122 -7.911 11.855 -21.702 1.00 64.21 N ATOM 1378 CA ASN A 122 -9.212 12.542 -21.830 1.00 23.43 C ATOM 1379 C ASN A 122 -10.398 11.552 -21.793 1.00 42.03 C ATOM 1380 O ASN A 122 -10.543 10.694 -22.668 1.00 14.41 O ATOM 1381 CB ASN A 122 -9.266 13.393 -23.113 1.00 25.10 C ATOM 1382 CG ASN A 122 -10.549 14.201 -23.238 1.00 21.22 C ATOM 1383 OD1 ASN A 122 -11.064 14.399 -24.332 1.00 33.31 O ATOM 1384 ND2 ASN A 122 -11.063 14.697 -22.129 1.00 74.13 N ATOM 0 H ASN A 122 -7.458 11.998 -20.799 1.00 64.21 H new ATOM 0 HA ASN A 122 -9.306 13.203 -20.968 1.00 23.43 H new ATOM 0 HB2 ASN A 122 -8.413 14.072 -23.128 1.00 25.10 H new ATOM 0 HB3 ASN A 122 -9.169 12.740 -23.980 1.00 25.10 H new ATOM 0 HD21 ASN A 122 -11.911 15.262 -22.168 1.00 74.13 H new ATOM 0 HD22 ASN A 122 -10.612 14.515 -21.232 1.00 74.13 H new ATOM 1391 N SER A 123 -11.250 11.684 -20.775 1.00 74.34 N ATOM 1392 CA SER A 123 -12.414 10.795 -20.606 1.00 64.42 C ATOM 1393 C SER A 123 -13.741 11.491 -20.960 1.00 3.31 C ATOM 1394 O SER A 123 -14.317 11.244 -22.025 1.00 74.13 O ATOM 1395 CB SER A 123 -12.475 10.274 -19.162 1.00 10.24 C ATOM 1396 OG SER A 123 -12.606 11.342 -18.233 1.00 24.41 O ATOM 0 H SER A 123 -11.161 12.397 -20.051 1.00 74.34 H new ATOM 0 HA SER A 123 -12.284 9.963 -21.298 1.00 64.42 H new ATOM 0 HB2 SER A 123 -13.317 9.591 -19.055 1.00 10.24 H new ATOM 0 HB3 SER A 123 -11.572 9.705 -18.940 1.00 10.24 H new ATOM 0 HG SER A 123 -12.644 10.981 -17.323 1.00 24.41 H new ATOM 1402 N GLU A 124 -14.227 12.360 -20.069 1.00 40.41 N ATOM 1403 CA GLU A 124 -15.517 13.032 -20.270 1.00 0.44 C ATOM 1404 C GLU A 124 -15.435 14.111 -21.362 1.00 23.40 C ATOM 1405 O GLU A 124 -15.197 15.289 -21.084 1.00 25.51 O ATOM 1406 CB GLU A 124 -16.038 13.633 -18.949 1.00 71.22 C ATOM 1407 CG GLU A 124 -16.398 12.585 -17.898 1.00 32.01 C ATOM 1408 CD GLU A 124 -17.051 13.180 -16.657 1.00 12.14 C ATOM 1409 OE1 GLU A 124 -18.251 13.536 -16.721 1.00 55.11 O ATOM 1410 OE2 GLU A 124 -16.380 13.272 -15.606 1.00 11.53 O ATOM 0 H GLU A 124 -13.750 12.615 -19.204 1.00 40.41 H new ATOM 0 HA GLU A 124 -16.226 12.276 -20.608 1.00 0.44 H new ATOM 0 HB2 GLU A 124 -15.279 14.300 -18.539 1.00 71.22 H new ATOM 0 HB3 GLU A 124 -16.918 14.241 -19.159 1.00 71.22 H new ATOM 0 HG2 GLU A 124 -17.073 11.853 -18.341 1.00 32.01 H new ATOM 0 HG3 GLU A 124 -15.495 12.049 -17.604 1.00 32.01 H new ATOM 1417 N ALA A 125 -15.607 13.680 -22.607 1.00 60.13 N ATOM 1418 CA ALA A 125 -15.628 14.584 -23.762 1.00 52.53 C ATOM 1419 C ALA A 125 -16.184 13.865 -24.997 1.00 33.14 C ATOM 1420 O ALA A 125 -17.275 14.176 -25.478 1.00 1.01 O ATOM 1421 CB ALA A 125 -14.231 15.135 -24.044 1.00 74.11 C ATOM 0 H ALA A 125 -15.736 12.697 -22.849 1.00 60.13 H new ATOM 0 HA ALA A 125 -16.283 15.423 -23.527 1.00 52.53 H new ATOM 0 HB1 ALA A 125 -14.270 15.803 -24.904 1.00 74.11 H new ATOM 0 HB2 ALA A 125 -13.874 15.685 -23.173 1.00 74.11 H new ATOM 0 HB3 ALA A 125 -13.550 14.310 -24.256 1.00 74.11 H new ATOM 1427 N ALA A 126 -15.439 12.876 -25.487 1.00 52.21 N ATOM 1428 CA ALA A 126 -15.866 12.062 -26.634 1.00 44.42 C ATOM 1429 C ALA A 126 -16.833 10.947 -26.198 1.00 30.32 C ATOM 1430 O ALA A 126 -16.702 9.791 -26.606 1.00 52.25 O ATOM 1431 CB ALA A 126 -14.642 11.470 -27.327 1.00 12.35 C ATOM 0 H ALA A 126 -14.529 12.614 -25.107 1.00 52.21 H new ATOM 0 HA ALA A 126 -16.400 12.704 -27.335 1.00 44.42 H new ATOM 0 HB1 ALA A 126 -14.961 10.867 -28.177 1.00 12.35 H new ATOM 0 HB2 ALA A 126 -13.996 12.276 -27.676 1.00 12.35 H new ATOM 0 HB3 ALA A 126 -14.093 10.844 -26.624 1.00 12.35 H new ATOM 1437 N VAL A 127 -17.828 11.309 -25.389 1.00 33.53 N ATOM 1438 CA VAL A 127 -18.743 10.331 -24.788 1.00 32.24 C ATOM 1439 C VAL A 127 -20.143 10.347 -25.431 1.00 44.31 C ATOM 1440 O VAL A 127 -21.083 9.752 -24.900 1.00 71.20 O ATOM 1441 CB VAL A 127 -18.878 10.574 -23.260 1.00 73.43 C ATOM 1442 CG1 VAL A 127 -17.533 10.377 -22.561 1.00 33.35 C ATOM 1443 CG2 VAL A 127 -19.438 11.968 -22.974 1.00 1.43 C ATOM 0 H VAL A 127 -18.024 12.276 -25.132 1.00 33.53 H new ATOM 0 HA VAL A 127 -18.305 9.350 -24.973 1.00 32.24 H new ATOM 0 HB VAL A 127 -19.581 9.841 -22.863 1.00 73.43 H new ATOM 0 HG11 VAL A 127 -17.650 10.552 -21.491 1.00 33.35 H new ATOM 0 HG12 VAL A 127 -17.183 9.358 -22.726 1.00 33.35 H new ATOM 0 HG13 VAL A 127 -16.806 11.080 -22.966 1.00 33.35 H new ATOM 0 HG21 VAL A 127 -19.522 12.112 -21.897 1.00 1.43 H new ATOM 0 HG22 VAL A 127 -18.769 12.721 -23.390 1.00 1.43 H new ATOM 0 HG23 VAL A 127 -20.423 12.065 -23.431 1.00 1.43 H new ATOM 1453 N LEU A 128 -20.279 11.002 -26.583 1.00 33.11 N ATOM 1454 CA LEU A 128 -21.583 11.101 -27.259 1.00 22.14 C ATOM 1455 C LEU A 128 -21.947 9.791 -27.983 1.00 43.24 C ATOM 1456 O LEU A 128 -23.124 9.436 -28.096 1.00 1.33 O ATOM 1457 CB LEU A 128 -21.577 12.276 -28.248 1.00 61.41 C ATOM 1458 CG LEU A 128 -22.916 12.575 -28.948 1.00 13.43 C ATOM 1459 CD1 LEU A 128 -24.009 12.891 -27.929 1.00 24.43 C ATOM 1460 CD2 LEU A 128 -22.755 13.723 -29.943 1.00 62.11 C ATOM 0 H LEU A 128 -19.514 11.470 -27.068 1.00 33.11 H new ATOM 0 HA LEU A 128 -22.343 11.278 -26.498 1.00 22.14 H new ATOM 0 HB2 LEU A 128 -21.260 13.172 -27.715 1.00 61.41 H new ATOM 0 HB3 LEU A 128 -20.826 12.078 -29.013 1.00 61.41 H new ATOM 0 HG LEU A 128 -23.218 11.683 -29.497 1.00 13.43 H new ATOM 0 HD11 LEU A 128 -24.944 13.098 -28.450 1.00 24.43 H new ATOM 0 HD12 LEU A 128 -24.145 12.037 -27.265 1.00 24.43 H new ATOM 0 HD13 LEU A 128 -23.719 13.763 -27.343 1.00 24.43 H new ATOM 0 HD21 LEU A 128 -23.711 13.921 -30.428 1.00 62.11 H new ATOM 0 HD22 LEU A 128 -22.424 14.618 -29.416 1.00 62.11 H new ATOM 0 HD23 LEU A 128 -22.015 13.451 -30.696 1.00 62.11 H new ATOM 1472 N GLU A 129 -20.933 9.074 -28.469 1.00 21.21 N ATOM 1473 CA GLU A 129 -21.149 7.805 -29.179 1.00 11.54 C ATOM 1474 C GLU A 129 -20.191 6.697 -28.701 1.00 23.13 C ATOM 1475 O GLU A 129 -18.975 6.782 -28.881 1.00 44.13 O ATOM 1476 CB GLU A 129 -20.992 8.013 -30.695 1.00 24.14 C ATOM 1477 CG GLU A 129 -21.140 6.732 -31.520 1.00 15.32 C ATOM 1478 CD GLU A 129 -22.508 6.081 -31.364 1.00 31.21 C ATOM 1479 OE1 GLU A 129 -22.704 5.313 -30.397 1.00 61.11 O ATOM 1480 OE2 GLU A 129 -23.391 6.333 -32.212 1.00 12.44 O ATOM 0 H GLU A 129 -19.954 9.347 -28.386 1.00 21.21 H new ATOM 0 HA GLU A 129 -22.165 7.479 -28.955 1.00 11.54 H new ATOM 0 HB2 GLU A 129 -21.735 8.736 -31.031 1.00 24.14 H new ATOM 0 HB3 GLU A 129 -20.012 8.448 -30.892 1.00 24.14 H new ATOM 0 HG2 GLU A 129 -20.970 6.962 -32.572 1.00 15.32 H new ATOM 0 HG3 GLU A 129 -20.369 6.022 -31.221 1.00 15.32 H new ATOM 1487 N HIS A 130 -20.756 5.665 -28.071 1.00 12.51 N ATOM 1488 CA HIS A 130 -20.004 4.462 -27.676 1.00 1.41 C ATOM 1489 C HIS A 130 -20.881 3.204 -27.799 1.00 42.43 C ATOM 1490 O HIS A 130 -20.484 2.121 -27.369 1.00 75.33 O ATOM 1491 CB HIS A 130 -19.489 4.586 -26.232 1.00 31.15 C ATOM 1492 CG HIS A 130 -18.349 5.545 -26.058 1.00 63.22 C ATOM 1493 ND1 HIS A 130 -18.361 6.569 -25.134 1.00 25.24 N ATOM 1494 CD2 HIS A 130 -17.144 5.612 -26.671 1.00 73.22 C ATOM 1495 CE1 HIS A 130 -17.216 7.218 -25.184 1.00 60.55 C ATOM 1496 NE2 HIS A 130 -16.463 6.660 -26.105 1.00 10.32 N ATOM 0 H HIS A 130 -21.744 5.635 -27.819 1.00 12.51 H new ATOM 0 HA HIS A 130 -19.152 4.371 -28.350 1.00 1.41 H new ATOM 0 HB2 HIS A 130 -20.313 4.901 -25.592 1.00 31.15 H new ATOM 0 HB3 HIS A 130 -19.175 3.601 -25.886 1.00 31.15 H new ATOM 0 HD2 HIS A 130 -16.786 4.963 -27.457 1.00 73.22 H new ATOM 0 HE1 HIS A 130 -16.943 8.065 -24.572 1.00 60.55 H new ATOM 0 HE2 HIS A 130 -15.521 6.959 -26.359 1.00 10.32 H new ATOM 1505 N HIS A 131 -22.055 3.357 -28.422 1.00 52.04 N ATOM 1506 CA HIS A 131 -23.069 2.293 -28.478 1.00 21.14 C ATOM 1507 C HIS A 131 -23.539 1.913 -27.062 1.00 30.41 C ATOM 1508 O HIS A 131 -22.854 1.186 -26.346 1.00 51.53 O ATOM 1509 CB HIS A 131 -22.527 1.062 -29.221 1.00 63.35 C ATOM 1510 CG HIS A 131 -21.944 1.389 -30.563 1.00 3.43 C ATOM 1511 ND1 HIS A 131 -22.703 1.804 -31.637 1.00 1.40 N ATOM 1512 CD2 HIS A 131 -20.660 1.382 -31.000 1.00 31.24 C ATOM 1513 CE1 HIS A 131 -21.918 2.037 -32.668 1.00 43.52 C ATOM 1514 NE2 HIS A 131 -20.676 1.790 -32.310 1.00 1.33 N ATOM 0 H HIS A 131 -22.330 4.215 -28.899 1.00 52.04 H new ATOM 0 HA HIS A 131 -23.929 2.672 -29.031 1.00 21.14 H new ATOM 0 HB2 HIS A 131 -21.764 0.583 -28.608 1.00 63.35 H new ATOM 0 HB3 HIS A 131 -23.333 0.339 -29.349 1.00 63.35 H new ATOM 0 HD2 HIS A 131 -19.788 1.107 -30.425 1.00 31.24 H new ATOM 0 HE1 HIS A 131 -22.239 2.374 -33.643 1.00 43.52 H new ATOM 0 HE2 HIS A 131 -19.857 1.886 -32.910 1.00 1.33 H new ATOM 1523 N HIS A 132 -24.713 2.412 -26.672 1.00 71.21 N ATOM 1524 CA HIS A 132 -25.215 2.269 -25.295 1.00 10.53 C ATOM 1525 C HIS A 132 -25.583 0.808 -24.960 1.00 75.25 C ATOM 1526 O HIS A 132 -26.761 0.454 -24.880 1.00 44.14 O ATOM 1527 CB HIS A 132 -26.430 3.192 -25.092 1.00 41.21 C ATOM 1528 CG HIS A 132 -26.836 3.368 -23.658 1.00 71.20 C ATOM 1529 ND1 HIS A 132 -26.397 4.417 -22.877 1.00 1.42 N ATOM 1530 CD2 HIS A 132 -27.664 2.642 -22.868 1.00 12.04 C ATOM 1531 CE1 HIS A 132 -26.929 4.323 -21.677 1.00 52.44 C ATOM 1532 NE2 HIS A 132 -27.702 3.259 -21.644 1.00 63.52 N ATOM 0 H HIS A 132 -25.341 2.923 -27.292 1.00 71.21 H new ATOM 0 HA HIS A 132 -24.416 2.560 -24.613 1.00 10.53 H new ATOM 0 HB2 HIS A 132 -26.204 4.170 -25.517 1.00 41.21 H new ATOM 0 HB3 HIS A 132 -27.275 2.790 -25.650 1.00 41.21 H new ATOM 0 HD2 HIS A 132 -28.195 1.745 -23.150 1.00 12.04 H new ATOM 0 HE1 HIS A 132 -26.759 5.005 -20.857 1.00 52.44 H new ATOM 0 HE2 HIS A 132 -28.242 2.944 -20.838 1.00 63.52 H new ATOM 1541 N HIS A 133 -24.555 -0.031 -24.794 1.00 24.40 N ATOM 1542 CA HIS A 133 -24.705 -1.450 -24.429 1.00 1.54 C ATOM 1543 C HIS A 133 -23.343 -2.160 -24.470 1.00 11.15 C ATOM 1544 O HIS A 133 -22.636 -2.096 -25.479 1.00 43.12 O ATOM 1545 CB HIS A 133 -25.701 -2.176 -25.355 1.00 3.53 C ATOM 1546 CG HIS A 133 -25.347 -2.136 -26.815 1.00 34.34 C ATOM 1547 ND1 HIS A 133 -24.915 -3.238 -27.517 1.00 35.12 N ATOM 1548 CD2 HIS A 133 -25.384 -1.119 -27.711 1.00 64.22 C ATOM 1549 CE1 HIS A 133 -24.703 -2.904 -28.773 1.00 55.51 C ATOM 1550 NE2 HIS A 133 -24.980 -1.627 -28.921 1.00 74.35 N ATOM 0 H HIS A 133 -23.583 0.256 -24.910 1.00 24.40 H new ATOM 0 HA HIS A 133 -25.102 -1.485 -23.414 1.00 1.54 H new ATOM 0 HB2 HIS A 133 -25.774 -3.217 -25.042 1.00 3.53 H new ATOM 0 HB3 HIS A 133 -26.688 -1.733 -25.222 1.00 3.53 H new ATOM 0 HD2 HIS A 133 -25.677 -0.099 -27.510 1.00 64.22 H new ATOM 0 HE1 HIS A 133 -24.359 -3.568 -29.552 1.00 55.51 H new ATOM 0 HE2 HIS A 133 -24.907 -1.100 -29.792 1.00 74.35 H new ATOM 1559 N HIS A 134 -22.980 -2.837 -23.380 1.00 62.24 N ATOM 1560 CA HIS A 134 -21.678 -3.508 -23.288 1.00 4.04 C ATOM 1561 C HIS A 134 -21.580 -4.652 -24.312 1.00 31.23 C ATOM 1562 O HIS A 134 -22.091 -5.751 -24.088 1.00 52.12 O ATOM 1563 CB HIS A 134 -21.441 -4.032 -21.862 1.00 33.44 C ATOM 1564 CG HIS A 134 -20.003 -4.347 -21.563 1.00 52.21 C ATOM 1565 ND1 HIS A 134 -19.090 -3.381 -21.196 1.00 25.23 N ATOM 1566 CD2 HIS A 134 -19.316 -5.517 -21.576 1.00 34.21 C ATOM 1567 CE1 HIS A 134 -17.913 -3.939 -20.999 1.00 60.21 C ATOM 1568 NE2 HIS A 134 -18.022 -5.230 -21.222 1.00 2.55 N ATOM 0 H HIS A 134 -23.565 -2.936 -22.550 1.00 62.24 H new ATOM 0 HA HIS A 134 -20.901 -2.780 -23.519 1.00 4.04 H new ATOM 0 HB2 HIS A 134 -21.796 -3.289 -21.148 1.00 33.44 H new ATOM 0 HB3 HIS A 134 -22.039 -4.931 -21.711 1.00 33.44 H new ATOM 0 HD2 HIS A 134 -19.713 -6.491 -21.819 1.00 34.21 H new ATOM 0 HE1 HIS A 134 -17.011 -3.423 -20.704 1.00 60.21 H new ATOM 0 HE2 HIS A 134 -17.265 -5.910 -21.144 1.00 2.55 H new ATOM 1577 N HIS A 135 -20.927 -4.367 -25.437 1.00 12.33 N ATOM 1578 CA HIS A 135 -20.842 -5.310 -26.565 1.00 41.31 C ATOM 1579 C HIS A 135 -19.551 -6.156 -26.527 1.00 12.40 C ATOM 1580 O HIS A 135 -18.459 -5.607 -26.792 1.00 37.26 O ATOM 1581 CB HIS A 135 -20.957 -4.543 -27.896 1.00 14.13 C ATOM 1582 CG HIS A 135 -20.114 -3.299 -27.965 1.00 31.42 C ATOM 1583 ND1 HIS A 135 -18.763 -3.316 -28.229 1.00 73.55 N ATOM 1584 CD2 HIS A 135 -20.442 -1.992 -27.802 1.00 75.12 C ATOM 1585 CE1 HIS A 135 -18.296 -2.085 -28.226 1.00 12.51 C ATOM 1586 NE2 HIS A 135 -19.291 -1.264 -27.970 1.00 70.41 N ATOM 1587 OXT HIS A 135 -19.637 -7.373 -26.243 1.00 37.26 O ATOM 0 H HIS A 135 -20.443 -3.484 -25.598 1.00 12.33 H new ATOM 0 HA HIS A 135 -21.674 -6.008 -26.478 1.00 41.31 H new ATOM 0 HB2 HIS A 135 -20.672 -5.208 -28.711 1.00 14.13 H new ATOM 0 HB3 HIS A 135 -22.000 -4.271 -28.057 1.00 14.13 H new ATOM 0 HD1 HIS A 135 -18.208 -4.155 -28.401 1.00 73.55 H new ATOM 0 HD2 HIS A 135 -21.424 -1.599 -27.582 1.00 75.12 H new ATOM 0 HE1 HIS A 135 -17.270 -1.798 -28.404 1.00 12.51 H new TER 1596 HIS A 135