USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 896 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 62 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 104 ASN : amide:sc= -2.44 K(o=-2.4,f=-15!) USER MOD Set 2.1: A 64 TYR OH : rot 180:sc= -0.666 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 THR OG1 : rot -160:sc= 0 USER MOD Set 3.2: A 56 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0992 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 1.15 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.0797! USER MOD Single : A 6 SER OG : rot 55:sc= 1.28 USER MOD Single : A 8 CYS SG : rot 27:sc= 0.0711 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 16 GLN : amide:sc= -0.881 K(o=-0.88,f=-3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.8!) USER MOD Single : A 20 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.47) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0689 X(o=-0.069,f=-0.32) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= -5.1! C(o=-5.1!,f=-5.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -1.18 (180deg=-2.67!) USER MOD Single : A 65 GLN : amide:sc= -0.899 K(o=-0.9,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 159:sc= -2.5 (180deg=-2.93!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -9.87! C(o=-9.9!,f=-16!) USER MOD Single : A 82 THR OG1 : rot 1:sc= 0.254 USER MOD Single : A 88 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.01) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 163:sc= 0.325 USER MOD Single : A 99 SER OG : rot 180:sc= -1.03 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 116 GLN : amide:sc= -0.978 K(o=-0.98,f=-3.6!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.887 64.561 -49.780 1.00 0.00 N ATOM 2 CA GLY A 1 -32.332 63.681 -48.769 1.00 0.00 C ATOM 3 C GLY A 1 -30.996 64.170 -48.246 1.00 0.00 C ATOM 4 O GLY A 1 -30.479 65.191 -48.700 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.816 64.907 -49.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.248 65.368 -49.926 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.995 64.039 -50.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.034 63.596 -47.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.211 62.682 -49.188 1.00 0.00 H new ATOM 8 N SER A 2 -30.435 63.441 -47.286 1.00 0.00 N ATOM 9 CA SER A 2 -29.153 63.810 -46.697 1.00 0.00 C ATOM 10 C SER A 2 -28.574 62.652 -45.889 1.00 0.00 C ATOM 11 O SER A 2 -29.207 61.607 -45.739 1.00 0.00 O ATOM 12 CB SER A 2 -29.314 65.040 -45.802 1.00 0.00 C ATOM 13 OG SER A 2 -29.180 66.236 -46.550 1.00 0.00 O ATOM 0 H SER A 2 -30.848 62.592 -46.900 1.00 0.00 H new ATOM 0 HA SER A 2 -28.463 64.047 -47.507 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.291 65.017 -45.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.566 65.017 -45.009 1.00 0.00 H new ATOM 0 HG SER A 2 -29.593 66.119 -47.431 1.00 0.00 H new ATOM 19 N SER A 3 -27.365 62.847 -45.370 1.00 0.00 N ATOM 20 CA SER A 3 -26.697 61.819 -44.581 1.00 0.00 C ATOM 21 C SER A 3 -25.524 62.407 -43.804 1.00 0.00 C ATOM 22 O SER A 3 -25.191 63.582 -43.955 1.00 0.00 O ATOM 23 CB SER A 3 -26.208 60.688 -45.487 1.00 0.00 C ATOM 24 OG SER A 3 -25.345 61.181 -46.498 1.00 0.00 O ATOM 0 H SER A 3 -26.829 63.707 -45.482 1.00 0.00 H new ATOM 0 HA SER A 3 -27.417 61.418 -43.868 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.685 59.941 -44.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.062 60.190 -45.945 1.00 0.00 H new ATOM 0 HG SER A 3 -25.045 60.438 -47.063 1.00 0.00 H new ATOM 30 N GLY A 4 -24.899 61.580 -42.971 1.00 0.00 N ATOM 31 CA GLY A 4 -23.770 62.036 -42.182 1.00 0.00 C ATOM 32 C GLY A 4 -23.392 61.054 -41.090 1.00 0.00 C ATOM 33 O GLY A 4 -24.256 60.548 -40.375 1.00 0.00 O ATOM 0 H GLY A 4 -25.155 60.603 -42.829 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.913 62.194 -42.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.010 63.000 -41.733 1.00 0.00 H new ATOM 37 N SER A 5 -22.097 60.783 -40.962 1.00 0.00 N ATOM 38 CA SER A 5 -21.607 59.851 -39.953 1.00 0.00 C ATOM 39 C SER A 5 -20.082 59.863 -39.898 1.00 0.00 C ATOM 40 O SER A 5 -19.412 59.723 -40.921 1.00 0.00 O ATOM 41 CB SER A 5 -22.108 58.436 -40.249 1.00 0.00 C ATOM 42 OG SER A 5 -21.456 57.892 -41.384 1.00 0.00 O ATOM 0 H SER A 5 -21.368 61.196 -41.544 1.00 0.00 H new ATOM 0 HA SER A 5 -21.990 60.168 -38.983 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.933 57.796 -39.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.185 58.456 -40.419 1.00 0.00 H new ATOM 0 HG SER A 5 -20.599 58.348 -41.519 1.00 0.00 H new ATOM 48 N SER A 6 -19.541 60.029 -38.695 1.00 0.00 N ATOM 49 CA SER A 6 -18.096 60.063 -38.506 1.00 0.00 C ATOM 50 C SER A 6 -17.742 60.040 -37.022 1.00 0.00 C ATOM 51 O SER A 6 -18.183 60.894 -36.254 1.00 0.00 O ATOM 52 CB SER A 6 -17.502 61.310 -39.164 1.00 0.00 C ATOM 53 OG SER A 6 -17.196 61.070 -40.527 1.00 0.00 O ATOM 0 H SER A 6 -20.082 60.142 -37.837 1.00 0.00 H new ATOM 0 HA SER A 6 -17.672 59.176 -38.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.208 62.137 -39.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.599 61.610 -38.633 1.00 0.00 H new ATOM 0 HG SER A 6 -17.997 60.749 -40.991 1.00 0.00 H new ATOM 59 N GLY A 7 -16.942 59.055 -36.625 1.00 0.00 N ATOM 60 CA GLY A 7 -16.542 58.938 -35.235 1.00 0.00 C ATOM 61 C GLY A 7 -15.791 57.651 -34.954 1.00 0.00 C ATOM 62 O GLY A 7 -16.396 56.585 -34.833 1.00 0.00 O ATOM 0 H GLY A 7 -16.564 58.336 -37.242 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.913 59.788 -34.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.427 58.985 -34.600 1.00 0.00 H new ATOM 66 N CYS A 8 -14.471 57.749 -34.852 1.00 0.00 N ATOM 67 CA CYS A 8 -13.635 56.583 -34.586 1.00 0.00 C ATOM 68 C CYS A 8 -13.127 56.595 -33.148 1.00 0.00 C ATOM 69 O CYS A 8 -12.737 57.639 -32.627 1.00 0.00 O ATOM 70 CB CYS A 8 -12.455 56.544 -35.557 1.00 0.00 C ATOM 71 SG CYS A 8 -11.370 57.987 -35.460 1.00 0.00 S ATOM 0 H CYS A 8 -13.956 58.624 -34.949 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.243 55.690 -34.729 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.867 55.647 -35.361 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.838 56.459 -36.574 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.436 58.500 -34.267 1.00 0.00 H new ATOM 77 N GLU A 9 -13.137 55.428 -32.513 1.00 0.00 N ATOM 78 CA GLU A 9 -12.679 55.305 -31.134 1.00 0.00 C ATOM 79 C GLU A 9 -12.138 53.904 -30.862 1.00 0.00 C ATOM 80 O GLU A 9 -12.427 52.962 -31.599 1.00 0.00 O ATOM 81 CB GLU A 9 -13.819 55.621 -30.164 1.00 0.00 C ATOM 82 CG GLU A 9 -14.035 57.108 -29.941 1.00 0.00 C ATOM 83 CD GLU A 9 -15.290 57.403 -29.143 1.00 0.00 C ATOM 84 OE1 GLU A 9 -16.345 56.814 -29.459 1.00 0.00 O ATOM 85 OE2 GLU A 9 -15.218 58.221 -28.202 1.00 0.00 O ATOM 0 H GLU A 9 -13.457 54.554 -32.931 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.873 56.022 -30.981 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.741 55.182 -30.545 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.612 55.145 -29.206 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.172 57.522 -29.420 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.096 57.611 -30.906 1.00 0.00 H new ATOM 92 N GLY A 10 -11.352 53.776 -29.798 1.00 0.00 N ATOM 93 CA GLY A 10 -10.782 52.487 -29.448 1.00 0.00 C ATOM 94 C GLY A 10 -9.268 52.520 -29.386 1.00 0.00 C ATOM 95 O GLY A 10 -8.621 53.187 -30.193 1.00 0.00 O ATOM 0 H GLY A 10 -11.099 54.541 -29.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.175 52.170 -28.482 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.096 51.743 -30.180 1.00 0.00 H new ATOM 99 N GLY A 11 -8.701 51.798 -28.424 1.00 0.00 N ATOM 100 CA GLY A 11 -7.257 51.762 -28.278 1.00 0.00 C ATOM 101 C GLY A 11 -6.802 50.716 -27.280 1.00 0.00 C ATOM 102 O GLY A 11 -7.548 50.344 -26.375 1.00 0.00 O ATOM 0 H GLY A 11 -9.215 51.238 -27.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.802 51.558 -29.247 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.902 52.742 -27.960 1.00 0.00 H new ATOM 106 N VAL A 12 -5.573 50.237 -27.447 1.00 0.00 N ATOM 107 CA VAL A 12 -5.019 49.226 -26.554 1.00 0.00 C ATOM 108 C VAL A 12 -3.564 49.530 -26.216 1.00 0.00 C ATOM 109 O VAL A 12 -2.764 49.848 -27.096 1.00 0.00 O ATOM 110 CB VAL A 12 -5.107 47.820 -27.176 1.00 0.00 C ATOM 111 CG1 VAL A 12 -4.498 46.784 -26.243 1.00 0.00 C ATOM 112 CG2 VAL A 12 -6.551 47.472 -27.503 1.00 0.00 C ATOM 0 H VAL A 12 -4.942 50.533 -28.192 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.614 49.249 -25.641 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.537 47.816 -28.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.569 45.797 -26.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.450 47.026 -26.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.037 46.786 -25.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.595 46.475 -27.942 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.146 47.493 -26.590 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.949 48.198 -28.212 1.00 0.00 H new ATOM 122 N ASP A 13 -3.227 49.429 -24.935 1.00 0.00 N ATOM 123 CA ASP A 13 -1.867 49.692 -24.479 1.00 0.00 C ATOM 124 C ASP A 13 -1.128 48.388 -24.193 1.00 0.00 C ATOM 125 O ASP A 13 -1.738 47.322 -24.114 1.00 0.00 O ATOM 126 CB ASP A 13 -1.886 50.567 -23.224 1.00 0.00 C ATOM 127 CG ASP A 13 -2.241 52.008 -23.530 1.00 0.00 C ATOM 128 OD1 ASP A 13 -3.447 52.333 -23.539 1.00 0.00 O ATOM 129 OD2 ASP A 13 -1.313 52.812 -23.761 1.00 0.00 O ATOM 0 H ASP A 13 -3.877 49.167 -24.194 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.341 50.221 -25.273 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.605 50.162 -22.513 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.908 50.531 -22.744 1.00 0.00 H new ATOM 134 N MET A 14 0.189 48.481 -24.041 1.00 0.00 N ATOM 135 CA MET A 14 1.010 47.308 -23.764 1.00 0.00 C ATOM 136 C MET A 14 1.306 47.191 -22.272 1.00 0.00 C ATOM 137 O MET A 14 2.436 46.910 -21.875 1.00 0.00 O ATOM 138 CB MET A 14 2.320 47.379 -24.551 1.00 0.00 C ATOM 139 CG MET A 14 2.145 47.153 -26.044 1.00 0.00 C ATOM 140 SD MET A 14 3.642 46.532 -26.833 1.00 0.00 S ATOM 141 CE MET A 14 3.021 45.044 -27.613 1.00 0.00 C ATOM 0 H MET A 14 0.710 49.356 -24.105 1.00 0.00 H new ATOM 0 HA MET A 14 0.454 46.424 -24.076 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.778 48.355 -24.391 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.012 46.634 -24.158 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.332 46.445 -26.207 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.851 48.090 -26.517 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.832 44.545 -28.143 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.620 44.375 -26.852 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.233 45.305 -28.319 1.00 0.00 H new ATOM 151 N GLN A 15 0.283 47.409 -21.451 1.00 0.00 N ATOM 152 CA GLN A 15 0.435 47.329 -20.004 1.00 0.00 C ATOM 153 C GLN A 15 0.522 45.877 -19.545 1.00 0.00 C ATOM 154 O GLN A 15 1.436 45.502 -18.812 1.00 0.00 O ATOM 155 CB GLN A 15 -0.734 48.028 -19.307 1.00 0.00 C ATOM 156 CG GLN A 15 -2.092 47.454 -19.675 1.00 0.00 C ATOM 157 CD GLN A 15 -3.241 48.319 -19.196 1.00 0.00 C ATOM 158 OE1 GLN A 15 -3.204 48.864 -18.092 1.00 0.00 O ATOM 159 NE2 GLN A 15 -4.270 48.450 -20.025 1.00 0.00 N ATOM 0 H GLN A 15 -0.659 47.642 -21.764 1.00 0.00 H new ATOM 0 HA GLN A 15 1.363 47.833 -19.733 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.599 47.956 -18.228 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.716 49.088 -19.560 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.153 47.342 -20.757 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.189 46.457 -19.245 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.258 47.980 -20.930 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.072 49.020 -19.756 1.00 0.00 H new ATOM 168 N GLN A 16 -0.437 45.066 -19.981 1.00 0.00 N ATOM 169 CA GLN A 16 -0.469 43.656 -19.613 1.00 0.00 C ATOM 170 C GLN A 16 0.293 42.811 -20.629 1.00 0.00 C ATOM 171 O GLN A 16 -0.159 42.625 -21.759 1.00 0.00 O ATOM 172 CB GLN A 16 -1.915 43.167 -19.507 1.00 0.00 C ATOM 173 CG GLN A 16 -2.551 43.437 -18.153 1.00 0.00 C ATOM 174 CD GLN A 16 -1.898 42.650 -17.034 1.00 0.00 C ATOM 175 OE1 GLN A 16 -0.762 42.926 -16.646 1.00 0.00 O ATOM 176 NE2 GLN A 16 -2.614 41.663 -16.509 1.00 0.00 N ATOM 0 H GLN A 16 -1.201 45.361 -20.589 1.00 0.00 H new ATOM 0 HA GLN A 16 0.015 43.549 -18.642 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.511 43.650 -20.282 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.943 42.095 -19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.484 44.502 -17.930 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.611 43.187 -18.197 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.551 41.470 -16.862 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.227 41.098 -15.753 1.00 0.00 H new ATOM 185 N SER A 17 1.450 42.302 -20.219 1.00 0.00 N ATOM 186 CA SER A 17 2.277 41.480 -21.095 1.00 0.00 C ATOM 187 C SER A 17 1.996 39.997 -20.873 1.00 0.00 C ATOM 188 O SER A 17 1.672 39.269 -21.810 1.00 0.00 O ATOM 189 CB SER A 17 3.759 41.772 -20.855 1.00 0.00 C ATOM 190 OG SER A 17 4.079 43.108 -21.204 1.00 0.00 O ATOM 0 H SER A 17 1.836 42.444 -19.286 1.00 0.00 H new ATOM 0 HA SER A 17 2.028 41.729 -22.127 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.002 41.599 -19.807 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.368 41.084 -21.441 1.00 0.00 H new ATOM 0 HG SER A 17 5.031 43.270 -21.040 1.00 0.00 H new ATOM 196 N GLN A 18 2.124 39.558 -19.625 1.00 0.00 N ATOM 197 CA GLN A 18 1.885 38.162 -19.278 1.00 0.00 C ATOM 198 C GLN A 18 1.555 38.017 -17.797 1.00 0.00 C ATOM 199 O GLN A 18 1.806 38.924 -17.002 1.00 0.00 O ATOM 200 CB GLN A 18 3.109 37.312 -19.625 1.00 0.00 C ATOM 201 CG GLN A 18 4.356 37.695 -18.845 1.00 0.00 C ATOM 202 CD GLN A 18 5.414 36.609 -18.866 1.00 0.00 C ATOM 203 OE1 GLN A 18 5.122 35.447 -19.147 1.00 0.00 O ATOM 204 NE2 GLN A 18 6.653 36.984 -18.569 1.00 0.00 N ATOM 0 H GLN A 18 2.392 40.149 -18.838 1.00 0.00 H new ATOM 0 HA GLN A 18 1.031 37.811 -19.857 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.879 36.264 -19.434 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.315 37.404 -20.691 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.773 38.612 -19.262 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.082 37.910 -17.812 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.850 37.959 -18.342 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.407 36.297 -18.568 1.00 0.00 H new ATOM 213 N VAL A 19 0.989 36.872 -17.430 1.00 0.00 N ATOM 214 CA VAL A 19 0.624 36.608 -16.044 1.00 0.00 C ATOM 215 C VAL A 19 1.111 35.233 -15.599 1.00 0.00 C ATOM 216 O VAL A 19 1.389 34.366 -16.426 1.00 0.00 O ATOM 217 CB VAL A 19 -0.900 36.691 -15.839 1.00 0.00 C ATOM 218 CG1 VAL A 19 -1.603 35.576 -16.598 1.00 0.00 C ATOM 219 CG2 VAL A 19 -1.242 36.637 -14.358 1.00 0.00 C ATOM 0 H VAL A 19 0.773 36.111 -18.075 1.00 0.00 H new ATOM 0 HA VAL A 19 1.107 37.375 -15.439 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.251 37.644 -16.235 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.679 35.651 -16.441 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.384 35.666 -17.662 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.250 34.610 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.323 36.697 -14.232 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.879 35.701 -13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.770 37.475 -13.845 1.00 0.00 H new ATOM 229 N GLN A 20 1.211 35.043 -14.287 1.00 0.00 N ATOM 230 CA GLN A 20 1.666 33.773 -13.733 1.00 0.00 C ATOM 231 C GLN A 20 1.243 33.634 -12.274 1.00 0.00 C ATOM 232 O GLN A 20 1.216 34.614 -11.528 1.00 0.00 O ATOM 233 CB GLN A 20 3.186 33.657 -13.849 1.00 0.00 C ATOM 234 CG GLN A 20 3.707 32.246 -13.627 1.00 0.00 C ATOM 235 CD GLN A 20 3.368 31.311 -14.771 1.00 0.00 C ATOM 236 OE1 GLN A 20 2.277 30.744 -14.822 1.00 0.00 O ATOM 237 NE2 GLN A 20 4.304 31.147 -15.698 1.00 0.00 N ATOM 0 H GLN A 20 0.983 35.751 -13.589 1.00 0.00 H new ATOM 0 HA GLN A 20 1.203 32.969 -14.305 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.494 33.998 -14.838 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.650 34.325 -13.123 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.789 32.279 -13.498 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.288 31.849 -12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.195 31.637 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.132 30.531 -16.493 1.00 0.00 H new ATOM 246 N LEU A 21 0.913 32.411 -11.873 1.00 0.00 N ATOM 247 CA LEU A 21 0.491 32.143 -10.503 1.00 0.00 C ATOM 248 C LEU A 21 0.862 30.723 -10.086 1.00 0.00 C ATOM 249 O LEU A 21 0.700 29.779 -10.858 1.00 0.00 O ATOM 250 CB LEU A 21 -1.018 32.351 -10.363 1.00 0.00 C ATOM 251 CG LEU A 21 -1.553 32.445 -8.934 1.00 0.00 C ATOM 252 CD1 LEU A 21 -2.793 33.324 -8.885 1.00 0.00 C ATOM 253 CD2 LEU A 21 -1.859 31.058 -8.386 1.00 0.00 C ATOM 0 H LEU A 21 0.930 31.589 -12.477 1.00 0.00 H new ATOM 0 HA LEU A 21 1.010 32.841 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.289 33.265 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.526 31.529 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.785 32.900 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.160 33.379 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.543 34.325 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.566 32.898 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.239 31.145 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.609 30.576 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.949 30.459 -8.384 1.00 0.00 H new ATOM 265 N GLN A 22 1.357 30.581 -8.861 1.00 0.00 N ATOM 266 CA GLN A 22 1.748 29.276 -8.343 1.00 0.00 C ATOM 267 C GLN A 22 0.835 28.848 -7.199 1.00 0.00 C ATOM 268 O GLN A 22 0.303 29.686 -6.470 1.00 0.00 O ATOM 269 CB GLN A 22 3.201 29.308 -7.866 1.00 0.00 C ATOM 270 CG GLN A 22 3.698 27.972 -7.336 1.00 0.00 C ATOM 271 CD GLN A 22 5.209 27.907 -7.243 1.00 0.00 C ATOM 272 OE1 GLN A 22 5.887 28.935 -7.220 1.00 0.00 O ATOM 273 NE2 GLN A 22 5.747 26.694 -7.189 1.00 0.00 N ATOM 0 H GLN A 22 1.497 31.353 -8.209 1.00 0.00 H new ATOM 0 HA GLN A 22 1.653 28.550 -9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.839 29.621 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.301 30.060 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.269 27.794 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.343 27.173 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.148 25.869 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.759 26.588 -7.126 1.00 0.00 H new ATOM 282 N CYS A 23 0.656 27.541 -7.049 1.00 0.00 N ATOM 283 CA CYS A 23 -0.195 27.001 -5.994 1.00 0.00 C ATOM 284 C CYS A 23 0.563 25.979 -5.153 1.00 0.00 C ATOM 285 O CYS A 23 1.533 25.367 -5.601 1.00 0.00 O ATOM 286 CB CYS A 23 -1.444 26.358 -6.597 1.00 0.00 C ATOM 287 SG CYS A 23 -2.725 27.540 -7.078 1.00 0.00 S ATOM 0 H CYS A 23 1.089 26.835 -7.644 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.496 27.825 -5.347 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.154 25.777 -7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.864 25.658 -5.875 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.740 26.900 -7.579 1.00 0.00 H new ATOM 293 N PRO A 24 0.113 25.791 -3.903 1.00 0.00 N ATOM 294 CA PRO A 24 0.735 24.844 -2.973 1.00 0.00 C ATOM 295 C PRO A 24 0.503 23.393 -3.380 1.00 0.00 C ATOM 296 O PRO A 24 -0.064 23.118 -4.438 1.00 0.00 O ATOM 297 CB PRO A 24 0.039 25.144 -1.643 1.00 0.00 C ATOM 298 CG PRO A 24 -1.278 25.726 -2.028 1.00 0.00 C ATOM 299 CD PRO A 24 -1.037 26.486 -3.303 1.00 0.00 C ATOM 0 HA PRO A 24 1.818 24.959 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.087 24.239 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.620 25.843 -1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.023 24.944 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.657 26.385 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.908 26.459 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.816 27.536 -3.109 1.00 0.00 H new ATOM 307 N LEU A 25 0.944 22.468 -2.535 1.00 0.00 N ATOM 308 CA LEU A 25 0.784 21.044 -2.807 1.00 0.00 C ATOM 309 C LEU A 25 -0.512 20.516 -2.200 1.00 0.00 C ATOM 310 O LEU A 25 -1.089 21.135 -1.305 1.00 0.00 O ATOM 311 CB LEU A 25 1.976 20.262 -2.253 1.00 0.00 C ATOM 312 CG LEU A 25 1.915 19.909 -0.766 1.00 0.00 C ATOM 313 CD1 LEU A 25 3.106 19.049 -0.372 1.00 0.00 C ATOM 314 CD2 LEU A 25 1.864 21.173 0.080 1.00 0.00 C ATOM 0 H LEU A 25 1.415 22.679 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 25 0.739 20.908 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.074 19.337 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.881 20.843 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 25 1.005 19.337 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.045 18.808 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.098 18.128 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.029 19.594 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.821 20.903 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.756 21.771 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.978 21.751 -0.183 1.00 0.00 H new ATOM 326 N THR A 26 -0.965 19.367 -2.691 1.00 0.00 N ATOM 327 CA THR A 26 -2.191 18.755 -2.196 1.00 0.00 C ATOM 328 C THR A 26 -1.907 17.413 -1.531 1.00 0.00 C ATOM 329 O THR A 26 -0.893 16.766 -1.793 1.00 0.00 O ATOM 330 CB THR A 26 -3.212 18.546 -3.331 1.00 0.00 C ATOM 331 OG1 THR A 26 -2.529 18.333 -4.571 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.136 19.748 -3.455 1.00 0.00 C ATOM 0 H THR A 26 -0.501 18.841 -3.432 1.00 0.00 H new ATOM 0 HA THR A 26 -2.611 19.440 -1.460 1.00 0.00 H new ATOM 0 HB THR A 26 -3.813 17.669 -3.093 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.139 18.516 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.848 19.578 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.676 19.890 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.547 20.639 -3.673 1.00 0.00 H new ATOM 340 N PRO A 27 -2.822 16.983 -0.650 1.00 0.00 N ATOM 341 CA PRO A 27 -2.692 15.713 0.070 1.00 0.00 C ATOM 342 C PRO A 27 -2.864 14.506 -0.846 1.00 0.00 C ATOM 343 O PRO A 27 -3.419 14.602 -1.941 1.00 0.00 O ATOM 344 CB PRO A 27 -3.825 15.770 1.098 1.00 0.00 C ATOM 345 CG PRO A 27 -4.834 16.686 0.498 1.00 0.00 C ATOM 346 CD PRO A 27 -4.055 17.703 -0.289 1.00 0.00 C ATOM 0 HA PRO A 27 -1.703 15.595 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.246 14.781 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.470 16.146 2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.523 16.139 -0.146 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.433 17.167 1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.602 18.032 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.842 18.593 0.304 1.00 0.00 H new ATOM 354 N PRO A 28 -2.378 13.342 -0.391 1.00 0.00 N ATOM 355 CA PRO A 28 -2.468 12.094 -1.155 1.00 0.00 C ATOM 356 C PRO A 28 -3.898 11.573 -1.248 1.00 0.00 C ATOM 357 O PRO A 28 -4.402 10.945 -0.317 1.00 0.00 O ATOM 358 CB PRO A 28 -1.597 11.124 -0.353 1.00 0.00 C ATOM 359 CG PRO A 28 -1.616 11.659 1.038 1.00 0.00 C ATOM 360 CD PRO A 28 -1.705 13.154 0.905 1.00 0.00 C ATOM 0 HA PRO A 28 -2.145 12.224 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.994 10.110 -0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.582 11.084 -0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.466 11.266 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.716 11.368 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.275 13.597 1.722 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.719 13.618 0.917 1.00 0.00 H new ATOM 368 N ARG A 29 -4.547 11.838 -2.378 1.00 0.00 N ATOM 369 CA ARG A 29 -5.919 11.396 -2.592 1.00 0.00 C ATOM 370 C ARG A 29 -5.989 10.362 -3.713 1.00 0.00 C ATOM 371 O ARG A 29 -5.180 10.380 -4.639 1.00 0.00 O ATOM 372 CB ARG A 29 -6.815 12.590 -2.929 1.00 0.00 C ATOM 373 CG ARG A 29 -8.285 12.352 -2.626 1.00 0.00 C ATOM 374 CD ARG A 29 -9.083 13.646 -2.686 1.00 0.00 C ATOM 375 NE ARG A 29 -9.471 13.986 -4.052 1.00 0.00 N ATOM 376 CZ ARG A 29 -10.515 14.752 -4.350 1.00 0.00 C ATOM 377 NH1 ARG A 29 -11.270 15.255 -3.383 1.00 0.00 N ATOM 378 NH2 ARG A 29 -10.804 15.017 -5.618 1.00 0.00 N ATOM 0 H ARG A 29 -4.144 12.356 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.273 10.933 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.473 13.460 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.705 12.829 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.694 11.638 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.386 11.906 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.976 13.550 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.490 14.458 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.910 13.615 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.050 15.054 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.071 15.843 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.225 14.633 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.606 15.605 -5.846 1.00 0.00 H new ATOM 392 N GLY A 30 -6.963 9.462 -3.620 1.00 0.00 N ATOM 393 CA GLY A 30 -7.120 8.433 -4.631 1.00 0.00 C ATOM 394 C GLY A 30 -6.130 7.298 -4.463 1.00 0.00 C ATOM 395 O GLY A 30 -5.726 6.666 -5.440 1.00 0.00 O ATOM 0 H GLY A 30 -7.646 9.427 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.134 8.036 -4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.995 8.877 -5.619 1.00 0.00 H new ATOM 399 N LEU A 31 -5.734 7.040 -3.222 1.00 0.00 N ATOM 400 CA LEU A 31 -4.782 5.974 -2.928 1.00 0.00 C ATOM 401 C LEU A 31 -5.502 4.649 -2.698 1.00 0.00 C ATOM 402 O LEU A 31 -6.260 4.502 -1.739 1.00 0.00 O ATOM 403 CB LEU A 31 -3.947 6.334 -1.698 1.00 0.00 C ATOM 404 CG LEU A 31 -2.607 5.610 -1.562 1.00 0.00 C ATOM 405 CD1 LEU A 31 -2.809 4.214 -0.996 1.00 0.00 C ATOM 406 CD2 LEU A 31 -1.897 5.545 -2.906 1.00 0.00 C ATOM 0 H LEU A 31 -6.057 7.554 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.122 5.863 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.758 7.407 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.541 6.128 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.981 6.173 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.844 3.715 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.274 4.284 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.454 3.641 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.945 5.026 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.519 5.006 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.717 6.556 -3.272 1.00 0.00 H new ATOM 418 N GLN A 32 -5.258 3.687 -3.583 1.00 0.00 N ATOM 419 CA GLN A 32 -5.882 2.374 -3.474 1.00 0.00 C ATOM 420 C GLN A 32 -5.058 1.318 -4.203 1.00 0.00 C ATOM 421 O GLN A 32 -4.487 1.582 -5.262 1.00 0.00 O ATOM 422 CB GLN A 32 -7.302 2.412 -4.043 1.00 0.00 C ATOM 423 CG GLN A 32 -7.356 2.764 -5.521 1.00 0.00 C ATOM 424 CD GLN A 32 -8.632 3.488 -5.903 1.00 0.00 C ATOM 425 OE1 GLN A 32 -9.048 4.431 -5.230 1.00 0.00 O ATOM 426 NE2 GLN A 32 -9.259 3.051 -6.988 1.00 0.00 N ATOM 0 H GLN A 32 -4.633 3.793 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.928 2.108 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.771 1.440 -3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.890 3.140 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.499 3.389 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.270 1.852 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.878 2.266 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.122 3.500 -7.294 1.00 0.00 H new ATOM 435 N VAL A 33 -4.999 0.120 -3.630 1.00 0.00 N ATOM 436 CA VAL A 33 -4.246 -0.977 -4.225 1.00 0.00 C ATOM 437 C VAL A 33 -5.164 -1.922 -4.992 1.00 0.00 C ATOM 438 O VAL A 33 -6.308 -2.147 -4.598 1.00 0.00 O ATOM 439 CB VAL A 33 -3.480 -1.777 -3.155 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.412 -0.913 -2.503 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.442 -2.327 -2.112 1.00 0.00 C ATOM 0 H VAL A 33 -5.464 -0.115 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.530 -0.532 -4.916 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.985 -2.618 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.882 -1.496 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.707 -0.572 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.881 -0.050 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.884 -2.890 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.966 -1.502 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.166 -2.984 -2.595 1.00 0.00 H new ATOM 451 N SER A 34 -4.654 -2.473 -6.089 1.00 0.00 N ATOM 452 CA SER A 34 -5.429 -3.392 -6.913 1.00 0.00 C ATOM 453 C SER A 34 -4.580 -4.586 -7.340 1.00 0.00 C ATOM 454 O SER A 34 -3.362 -4.477 -7.481 1.00 0.00 O ATOM 455 CB SER A 34 -5.970 -2.670 -8.148 1.00 0.00 C ATOM 456 OG SER A 34 -6.757 -1.550 -7.780 1.00 0.00 O ATOM 0 H SER A 34 -3.708 -2.299 -6.427 1.00 0.00 H new ATOM 0 HA SER A 34 -6.266 -3.757 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.140 -2.345 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.569 -3.360 -8.743 1.00 0.00 H new ATOM 0 HG SER A 34 -7.090 -1.105 -8.587 1.00 0.00 H new ATOM 462 N ILE A 35 -5.234 -5.725 -7.543 1.00 0.00 N ATOM 463 CA ILE A 35 -4.540 -6.940 -7.955 1.00 0.00 C ATOM 464 C ILE A 35 -4.396 -7.003 -9.472 1.00 0.00 C ATOM 465 O ILE A 35 -5.375 -6.864 -10.204 1.00 0.00 O ATOM 466 CB ILE A 35 -5.277 -8.201 -7.467 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.543 -8.114 -5.963 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.469 -9.447 -7.797 1.00 0.00 C ATOM 469 CD1 ILE A 35 -6.441 -9.214 -5.443 1.00 0.00 C ATOM 0 H ILE A 35 -6.242 -5.832 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.550 -6.909 -7.500 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.235 -8.266 -7.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.592 -8.151 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.997 -7.149 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.003 -10.330 -7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.327 -9.514 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.497 -9.391 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.586 -9.089 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.406 -9.165 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.979 -10.182 -5.636 1.00 0.00 H new ATOM 481 N GLN A 36 -3.169 -7.216 -9.935 1.00 0.00 N ATOM 482 CA GLN A 36 -2.897 -7.300 -11.365 1.00 0.00 C ATOM 483 C GLN A 36 -3.965 -8.125 -12.075 1.00 0.00 C ATOM 484 O GLN A 36 -3.888 -9.352 -12.119 1.00 0.00 O ATOM 485 CB GLN A 36 -1.517 -7.912 -11.609 1.00 0.00 C ATOM 486 CG GLN A 36 -1.086 -7.882 -13.066 1.00 0.00 C ATOM 487 CD GLN A 36 -1.284 -6.522 -13.705 1.00 0.00 C ATOM 488 OE1 GLN A 36 -0.711 -5.526 -13.262 1.00 0.00 O ATOM 489 NE2 GLN A 36 -2.097 -6.472 -14.753 1.00 0.00 N ATOM 0 H GLN A 36 -2.348 -7.334 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.915 -6.289 -11.772 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.780 -7.376 -11.010 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.520 -8.945 -11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.035 -8.163 -13.136 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.653 -8.627 -13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.551 -7.322 -15.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.267 -5.584 -15.224 1.00 0.00 H new ATOM 498 N GLY A 37 -4.962 -7.442 -12.631 1.00 0.00 N ATOM 499 CA GLY A 37 -6.032 -8.129 -13.331 1.00 0.00 C ATOM 500 C GLY A 37 -7.147 -8.564 -12.401 1.00 0.00 C ATOM 501 O GLY A 37 -6.892 -9.138 -11.343 1.00 0.00 O ATOM 0 H GLY A 37 -5.047 -6.426 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.440 -7.472 -14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.626 -9.003 -13.841 1.00 0.00 H new ATOM 505 N GLU A 38 -8.386 -8.289 -12.796 1.00 0.00 N ATOM 506 CA GLU A 38 -9.544 -8.655 -11.989 1.00 0.00 C ATOM 507 C GLU A 38 -9.547 -10.151 -11.688 1.00 0.00 C ATOM 508 O GLU A 38 -9.804 -10.971 -12.569 1.00 0.00 O ATOM 509 CB GLU A 38 -10.838 -8.264 -12.706 1.00 0.00 C ATOM 510 CG GLU A 38 -10.959 -8.848 -14.104 1.00 0.00 C ATOM 511 CD GLU A 38 -12.083 -8.218 -14.903 1.00 0.00 C ATOM 512 OE1 GLU A 38 -13.234 -8.232 -14.419 1.00 0.00 O ATOM 513 OE2 GLU A 38 -11.812 -7.713 -16.012 1.00 0.00 O ATOM 0 H GLU A 38 -8.614 -7.814 -13.670 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.483 -8.113 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.688 -8.593 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.895 -7.177 -12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.018 -8.708 -14.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.127 -9.923 -14.032 1.00 0.00 H new ATOM 520 N ALA A 39 -9.260 -10.498 -10.438 1.00 0.00 N ATOM 521 CA ALA A 39 -9.231 -11.894 -10.020 1.00 0.00 C ATOM 522 C ALA A 39 -10.425 -12.226 -9.132 1.00 0.00 C ATOM 523 O ALA A 39 -11.097 -11.332 -8.618 1.00 0.00 O ATOM 524 CB ALA A 39 -7.929 -12.201 -9.295 1.00 0.00 C ATOM 0 H ALA A 39 -9.044 -9.831 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.292 -12.516 -10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.921 -13.247 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.088 -12.012 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.844 -11.564 -8.414 1.00 0.00 H new ATOM 530 N VAL A 40 -10.684 -13.518 -8.954 1.00 0.00 N ATOM 531 CA VAL A 40 -11.797 -13.968 -8.127 1.00 0.00 C ATOM 532 C VAL A 40 -11.360 -15.073 -7.173 1.00 0.00 C ATOM 533 O VAL A 40 -11.479 -14.939 -5.955 1.00 0.00 O ATOM 534 CB VAL A 40 -12.966 -14.481 -8.990 1.00 0.00 C ATOM 535 CG1 VAL A 40 -14.099 -14.983 -8.108 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.453 -13.389 -9.929 1.00 0.00 C ATOM 0 H VAL A 40 -10.138 -14.271 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.132 -13.106 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.611 -15.316 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.916 -15.341 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.738 -15.798 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.456 -14.170 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.279 -13.768 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.792 -12.533 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.638 -13.082 -10.584 1.00 0.00 H new ATOM 546 N ALA A 41 -10.854 -16.167 -7.734 1.00 0.00 N ATOM 547 CA ALA A 41 -10.397 -17.295 -6.933 1.00 0.00 C ATOM 548 C ALA A 41 -9.051 -17.811 -7.429 1.00 0.00 C ATOM 549 O ALA A 41 -8.948 -18.347 -8.532 1.00 0.00 O ATOM 550 CB ALA A 41 -11.432 -18.411 -6.953 1.00 0.00 C ATOM 0 H ALA A 41 -10.751 -16.295 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.269 -16.951 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.077 -19.247 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.373 -18.042 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.588 -18.744 -7.979 1.00 0.00 H new ATOM 556 N VAL A 42 -8.019 -17.645 -6.607 1.00 0.00 N ATOM 557 CA VAL A 42 -6.678 -18.094 -6.962 1.00 0.00 C ATOM 558 C VAL A 42 -6.294 -19.347 -6.183 1.00 0.00 C ATOM 559 O VAL A 42 -6.816 -19.600 -5.097 1.00 0.00 O ATOM 560 CB VAL A 42 -5.630 -16.997 -6.696 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.265 -17.614 -6.433 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.568 -16.025 -7.866 1.00 0.00 C ATOM 0 H VAL A 42 -8.086 -17.203 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.692 -18.322 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.928 -16.442 -5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.538 -16.823 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.322 -18.266 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.955 -18.195 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.823 -15.256 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.294 -16.564 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.543 -15.557 -8.003 1.00 0.00 H new ATOM 572 N ARG A 43 -5.378 -20.129 -6.745 1.00 0.00 N ATOM 573 CA ARG A 43 -4.924 -21.357 -6.104 1.00 0.00 C ATOM 574 C ARG A 43 -3.796 -21.070 -5.118 1.00 0.00 C ATOM 575 O ARG A 43 -3.101 -20.058 -5.208 1.00 0.00 O ATOM 576 CB ARG A 43 -4.454 -22.363 -7.156 1.00 0.00 C ATOM 577 CG ARG A 43 -5.589 -23.111 -7.835 1.00 0.00 C ATOM 578 CD ARG A 43 -6.641 -23.556 -6.831 1.00 0.00 C ATOM 579 NE ARG A 43 -7.498 -24.611 -7.367 1.00 0.00 N ATOM 580 CZ ARG A 43 -8.442 -24.398 -8.277 1.00 0.00 C ATOM 581 NH1 ARG A 43 -8.649 -23.177 -8.751 1.00 0.00 N ATOM 582 NH2 ARG A 43 -9.181 -25.409 -8.717 1.00 0.00 N ATOM 0 H ARG A 43 -4.936 -19.934 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.764 -21.783 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.872 -21.838 -7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.786 -23.084 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.050 -22.471 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.192 -23.981 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.150 -23.913 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.254 -22.701 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.364 -25.562 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.082 -22.397 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.375 -23.017 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.024 -26.350 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.906 -25.245 -9.416 1.00 0.00 H new ATOM 596 N PRO A 44 -3.608 -21.982 -4.152 1.00 0.00 N ATOM 597 CA PRO A 44 -2.565 -21.849 -3.130 1.00 0.00 C ATOM 598 C PRO A 44 -1.164 -22.026 -3.706 1.00 0.00 C ATOM 599 O PRO A 44 -0.986 -22.648 -4.752 1.00 0.00 O ATOM 600 CB PRO A 44 -2.886 -22.978 -2.148 1.00 0.00 C ATOM 601 CG PRO A 44 -3.619 -23.990 -2.959 1.00 0.00 C ATOM 602 CD PRO A 44 -4.398 -23.213 -3.984 1.00 0.00 C ATOM 0 HA PRO A 44 -2.562 -20.858 -2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.977 -23.399 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.495 -22.619 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.927 -24.683 -3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.283 -24.585 -2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.489 -23.763 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.410 -22.997 -3.641 1.00 0.00 H new ATOM 610 N GLY A 45 -0.171 -21.474 -3.014 1.00 0.00 N ATOM 611 CA GLY A 45 1.202 -21.583 -3.472 1.00 0.00 C ATOM 612 C GLY A 45 1.543 -20.552 -4.530 1.00 0.00 C ATOM 613 O GLY A 45 2.697 -20.142 -4.655 1.00 0.00 O ATOM 0 H GLY A 45 -0.293 -20.954 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.876 -21.465 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.369 -22.582 -3.875 1.00 0.00 H new ATOM 617 N GLU A 46 0.538 -20.133 -5.293 1.00 0.00 N ATOM 618 CA GLU A 46 0.740 -19.145 -6.346 1.00 0.00 C ATOM 619 C GLU A 46 0.941 -17.753 -5.755 1.00 0.00 C ATOM 620 O GLU A 46 0.288 -17.380 -4.781 1.00 0.00 O ATOM 621 CB GLU A 46 -0.454 -19.137 -7.303 1.00 0.00 C ATOM 622 CG GLU A 46 -0.615 -20.429 -8.086 1.00 0.00 C ATOM 623 CD GLU A 46 0.320 -20.510 -9.277 1.00 0.00 C ATOM 624 OE1 GLU A 46 0.425 -19.510 -10.017 1.00 0.00 O ATOM 625 OE2 GLU A 46 0.946 -21.573 -9.469 1.00 0.00 O ATOM 0 H GLU A 46 -0.423 -20.462 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 46 1.639 -19.419 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.364 -18.952 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.342 -18.309 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.429 -21.276 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.645 -20.514 -8.431 1.00 0.00 H new ATOM 632 N ASP A 47 1.851 -16.990 -6.351 1.00 0.00 N ATOM 633 CA ASP A 47 2.139 -15.638 -5.885 1.00 0.00 C ATOM 634 C ASP A 47 1.206 -14.626 -6.541 1.00 0.00 C ATOM 635 O ASP A 47 0.997 -14.655 -7.754 1.00 0.00 O ATOM 636 CB ASP A 47 3.595 -15.274 -6.179 1.00 0.00 C ATOM 637 CG ASP A 47 3.993 -15.587 -7.608 1.00 0.00 C ATOM 638 OD1 ASP A 47 3.293 -15.125 -8.534 1.00 0.00 O ATOM 639 OD2 ASP A 47 5.004 -16.294 -7.801 1.00 0.00 O ATOM 0 H ASP A 47 2.402 -17.284 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 47 1.976 -15.609 -4.808 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.747 -14.212 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.247 -15.818 -5.496 1.00 0.00 H new ATOM 644 N VAL A 48 0.646 -13.733 -5.732 1.00 0.00 N ATOM 645 CA VAL A 48 -0.265 -12.711 -6.234 1.00 0.00 C ATOM 646 C VAL A 48 0.465 -11.395 -6.477 1.00 0.00 C ATOM 647 O VAL A 48 1.450 -11.086 -5.806 1.00 0.00 O ATOM 648 CB VAL A 48 -1.429 -12.467 -5.255 1.00 0.00 C ATOM 649 CG1 VAL A 48 -0.903 -12.007 -3.904 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.405 -11.452 -5.830 1.00 0.00 C ATOM 0 H VAL A 48 0.807 -13.696 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.665 -13.080 -7.178 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.962 -13.407 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.740 -11.840 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.247 -12.772 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.345 -11.079 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.221 -11.292 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.887 -10.509 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.807 -11.827 -6.771 1.00 0.00 H new ATOM 660 N LEU A 49 -0.025 -10.623 -7.440 1.00 0.00 N ATOM 661 CA LEU A 49 0.580 -9.338 -7.773 1.00 0.00 C ATOM 662 C LEU A 49 -0.281 -8.184 -7.268 1.00 0.00 C ATOM 663 O LEU A 49 -1.491 -8.154 -7.494 1.00 0.00 O ATOM 664 CB LEU A 49 0.776 -9.220 -9.285 1.00 0.00 C ATOM 665 CG LEU A 49 1.886 -10.081 -9.887 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.253 -9.549 -9.483 1.00 0.00 C ATOM 667 CD2 LEU A 49 1.729 -11.532 -9.456 1.00 0.00 C ATOM 0 H LEU A 49 -0.840 -10.864 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 49 1.552 -9.284 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.163 -9.479 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.983 -8.177 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 49 1.806 -10.034 -10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.031 -10.175 -9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.366 -8.526 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.343 -9.565 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.528 -12.130 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.782 -11.596 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.765 -11.910 -9.796 1.00 0.00 H new ATOM 679 N PHE A 50 0.351 -7.234 -6.587 1.00 0.00 N ATOM 680 CA PHE A 50 -0.356 -6.077 -6.052 1.00 0.00 C ATOM 681 C PHE A 50 0.118 -4.791 -6.723 1.00 0.00 C ATOM 682 O PHE A 50 1.222 -4.313 -6.463 1.00 0.00 O ATOM 683 CB PHE A 50 -0.151 -5.981 -4.539 1.00 0.00 C ATOM 684 CG PHE A 50 -0.992 -6.950 -3.758 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.288 -6.624 -3.392 1.00 0.00 C ATOM 686 CD2 PHE A 50 -0.486 -8.186 -3.388 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.065 -7.513 -2.674 1.00 0.00 C ATOM 688 CE2 PHE A 50 -1.259 -9.079 -2.670 1.00 0.00 C ATOM 689 CZ PHE A 50 -2.549 -8.742 -2.311 1.00 0.00 C ATOM 0 H PHE A 50 1.352 -7.243 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.418 -6.205 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.900 -6.158 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.382 -4.967 -4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.696 -5.664 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.523 -8.454 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.074 -7.247 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.854 -10.040 -2.390 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.153 -9.438 -1.748 1.00 0.00 H new ATOM 699 N VAL A 51 -0.724 -4.237 -7.589 1.00 0.00 N ATOM 700 CA VAL A 51 -0.393 -3.007 -8.298 1.00 0.00 C ATOM 701 C VAL A 51 -0.702 -1.781 -7.446 1.00 0.00 C ATOM 702 O VAL A 51 -1.717 -1.735 -6.750 1.00 0.00 O ATOM 703 CB VAL A 51 -1.161 -2.901 -9.629 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.847 -1.585 -10.323 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.830 -4.081 -10.530 1.00 0.00 C ATOM 0 H VAL A 51 -1.641 -4.621 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 51 0.676 -3.041 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.230 -2.925 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.398 -1.528 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.139 -0.755 -9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.222 -1.527 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.381 -3.990 -11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.240 -4.091 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.111 -5.009 -10.032 1.00 0.00 H new ATOM 715 N VAL A 52 0.179 -0.787 -7.506 1.00 0.00 N ATOM 716 CA VAL A 52 -0.001 0.441 -6.741 1.00 0.00 C ATOM 717 C VAL A 52 0.003 1.662 -7.654 1.00 0.00 C ATOM 718 O VAL A 52 0.926 1.855 -8.445 1.00 0.00 O ATOM 719 CB VAL A 52 1.100 0.606 -5.677 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.477 0.552 -6.320 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.911 1.907 -4.912 1.00 0.00 C ATOM 0 H VAL A 52 1.024 -0.808 -8.076 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.968 0.365 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 52 1.023 -0.220 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.242 0.670 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.608 -0.409 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.569 1.355 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.698 2.007 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.960 2.747 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.060 1.901 -4.418 1.00 0.00 H new ATOM 731 N ARG A 53 -1.035 2.484 -7.537 1.00 0.00 N ATOM 732 CA ARG A 53 -1.152 3.687 -8.353 1.00 0.00 C ATOM 733 C ARG A 53 -1.943 4.766 -7.619 1.00 0.00 C ATOM 734 O ARG A 53 -2.862 4.465 -6.858 1.00 0.00 O ATOM 735 CB ARG A 53 -1.829 3.362 -9.686 1.00 0.00 C ATOM 736 CG ARG A 53 -2.177 4.591 -10.508 1.00 0.00 C ATOM 737 CD ARG A 53 -3.351 4.327 -11.437 1.00 0.00 C ATOM 738 NE ARG A 53 -2.954 3.568 -12.620 1.00 0.00 N ATOM 739 CZ ARG A 53 -3.775 3.293 -13.627 1.00 0.00 C ATOM 740 NH1 ARG A 53 -5.032 3.713 -13.595 1.00 0.00 N ATOM 741 NH2 ARG A 53 -3.339 2.597 -14.669 1.00 0.00 N ATOM 0 H ARG A 53 -1.806 2.339 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.148 4.064 -8.546 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.171 2.719 -10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.740 2.795 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.418 5.419 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.310 4.896 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.124 3.779 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.789 5.276 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.993 3.230 -12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.371 4.249 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.661 3.501 -14.370 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.372 2.273 -14.697 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.970 2.386 -15.442 1.00 0.00 H new ATOM 755 N GLN A 54 -1.578 6.022 -7.853 1.00 0.00 N ATOM 756 CA GLN A 54 -2.252 7.146 -7.213 1.00 0.00 C ATOM 757 C GLN A 54 -2.680 8.184 -8.245 1.00 0.00 C ATOM 758 O GLN A 54 -2.163 8.211 -9.362 1.00 0.00 O ATOM 759 CB GLN A 54 -1.337 7.792 -6.172 1.00 0.00 C ATOM 760 CG GLN A 54 -2.087 8.416 -5.006 1.00 0.00 C ATOM 761 CD GLN A 54 -1.202 8.638 -3.795 1.00 0.00 C ATOM 762 OE1 GLN A 54 -0.004 8.356 -3.827 1.00 0.00 O ATOM 763 NE2 GLN A 54 -1.790 9.146 -2.718 1.00 0.00 N ATOM 0 H GLN A 54 -0.819 6.287 -8.481 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.144 6.766 -6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.648 7.039 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.733 8.559 -6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.512 9.369 -5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.921 7.771 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.786 9.365 -2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.246 9.317 -1.873 1.00 0.00 H new ATOM 772 N GLU A 55 -3.627 9.035 -7.864 1.00 0.00 N ATOM 773 CA GLU A 55 -4.124 10.074 -8.758 1.00 0.00 C ATOM 774 C GLU A 55 -3.460 11.415 -8.457 1.00 0.00 C ATOM 775 O GLU A 55 -2.909 12.059 -9.349 1.00 0.00 O ATOM 776 CB GLU A 55 -5.643 10.204 -8.630 1.00 0.00 C ATOM 777 CG GLU A 55 -6.391 8.909 -8.900 1.00 0.00 C ATOM 778 CD GLU A 55 -6.643 8.678 -10.377 1.00 0.00 C ATOM 779 OE1 GLU A 55 -7.332 9.513 -10.999 1.00 0.00 O ATOM 780 OE2 GLU A 55 -6.150 7.662 -10.911 1.00 0.00 O ATOM 0 H GLU A 55 -4.065 9.026 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.876 9.787 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.886 10.551 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.993 10.967 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.819 8.073 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.344 8.927 -8.371 1.00 0.00 H new ATOM 787 N GLN A 56 -3.519 11.827 -7.195 1.00 0.00 N ATOM 788 CA GLN A 56 -2.925 13.091 -6.777 1.00 0.00 C ATOM 789 C GLN A 56 -1.445 12.916 -6.452 1.00 0.00 C ATOM 790 O GLN A 56 -0.654 13.848 -6.591 1.00 0.00 O ATOM 791 CB GLN A 56 -3.664 13.648 -5.559 1.00 0.00 C ATOM 792 CG GLN A 56 -3.378 15.117 -5.293 1.00 0.00 C ATOM 793 CD GLN A 56 -3.934 16.024 -6.373 1.00 0.00 C ATOM 794 OE1 GLN A 56 -5.128 16.324 -6.394 1.00 0.00 O ATOM 795 NE2 GLN A 56 -3.069 16.467 -7.278 1.00 0.00 N ATOM 0 H GLN A 56 -3.972 11.305 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.016 13.797 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.736 13.516 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.387 13.067 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.807 15.398 -4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.301 15.266 -5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.088 16.193 -7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.386 17.081 -8.028 1.00 0.00 H new ATOM 804 N GLY A 57 -1.077 11.714 -6.018 1.00 0.00 N ATOM 805 CA GLY A 57 0.307 11.439 -5.680 1.00 0.00 C ATOM 806 C GLY A 57 1.248 11.690 -6.841 1.00 0.00 C ATOM 807 O GLY A 57 0.916 12.426 -7.770 1.00 0.00 O ATOM 0 H GLY A 57 -1.713 10.926 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.602 12.062 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.400 10.402 -5.359 1.00 0.00 H new ATOM 811 N ASP A 58 2.427 11.079 -6.787 1.00 0.00 N ATOM 812 CA ASP A 58 3.420 11.240 -7.843 1.00 0.00 C ATOM 813 C ASP A 58 4.074 12.617 -7.768 1.00 0.00 C ATOM 814 O ASP A 58 4.341 13.245 -8.792 1.00 0.00 O ATOM 815 CB ASP A 58 2.775 11.043 -9.215 1.00 0.00 C ATOM 816 CG ASP A 58 3.747 10.490 -10.238 1.00 0.00 C ATOM 817 OD1 ASP A 58 3.852 9.250 -10.348 1.00 0.00 O ATOM 818 OD2 ASP A 58 4.403 11.297 -10.929 1.00 0.00 O ATOM 0 H ASP A 58 2.718 10.468 -6.024 1.00 0.00 H new ATOM 0 HA ASP A 58 4.191 10.482 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.927 10.365 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.383 11.996 -9.569 1.00 0.00 H new ATOM 823 N VAL A 59 4.327 13.080 -6.548 1.00 0.00 N ATOM 824 CA VAL A 59 4.949 14.382 -6.339 1.00 0.00 C ATOM 825 C VAL A 59 6.280 14.244 -5.607 1.00 0.00 C ATOM 826 O VAL A 59 7.288 14.822 -6.015 1.00 0.00 O ATOM 827 CB VAL A 59 4.029 15.321 -5.536 1.00 0.00 C ATOM 828 CG1 VAL A 59 3.561 14.645 -4.257 1.00 0.00 C ATOM 829 CG2 VAL A 59 4.742 16.629 -5.228 1.00 0.00 C ATOM 0 H VAL A 59 4.111 12.573 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 59 5.123 14.812 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 59 3.151 15.546 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.912 15.324 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.010 13.738 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.425 14.388 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.078 17.281 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.638 16.426 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.021 17.119 -6.160 1.00 0.00 H new ATOM 839 N LEU A 60 6.276 13.476 -4.524 1.00 0.00 N ATOM 840 CA LEU A 60 7.483 13.261 -3.733 1.00 0.00 C ATOM 841 C LEU A 60 7.519 11.844 -3.169 1.00 0.00 C ATOM 842 O LEU A 60 6.493 11.167 -3.092 1.00 0.00 O ATOM 843 CB LEU A 60 7.558 14.278 -2.594 1.00 0.00 C ATOM 844 CG LEU A 60 6.457 14.184 -1.537 1.00 0.00 C ATOM 845 CD1 LEU A 60 6.874 13.247 -0.413 1.00 0.00 C ATOM 846 CD2 LEU A 60 6.126 15.564 -0.987 1.00 0.00 C ATOM 0 H LEU A 60 5.450 12.991 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 60 8.345 13.394 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.522 14.167 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.536 15.279 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 60 5.562 13.778 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.078 13.193 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.060 12.253 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.783 13.624 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.341 15.478 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.017 15.998 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.783 16.206 -1.798 1.00 0.00 H new ATOM 858 N THR A 61 8.709 11.401 -2.773 1.00 0.00 N ATOM 859 CA THR A 61 8.879 10.065 -2.215 1.00 0.00 C ATOM 860 C THR A 61 8.058 9.893 -0.942 1.00 0.00 C ATOM 861 O THR A 61 8.318 10.543 0.071 1.00 0.00 O ATOM 862 CB THR A 61 10.359 9.772 -1.901 1.00 0.00 C ATOM 863 OG1 THR A 61 11.163 10.022 -3.059 1.00 0.00 O ATOM 864 CG2 THR A 61 10.541 8.330 -1.452 1.00 0.00 C ATOM 0 H THR A 61 9.568 11.948 -2.828 1.00 0.00 H new ATOM 0 HA THR A 61 8.528 9.360 -2.969 1.00 0.00 H new ATOM 0 HB THR A 61 10.674 10.430 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.102 9.835 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.593 8.146 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.950 8.151 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.211 7.658 -2.244 1.00 0.00 H new ATOM 872 N THR A 62 7.064 9.011 -0.999 1.00 0.00 N ATOM 873 CA THR A 62 6.204 8.753 0.149 1.00 0.00 C ATOM 874 C THR A 62 6.382 7.328 0.660 1.00 0.00 C ATOM 875 O THR A 62 6.584 6.398 -0.121 1.00 0.00 O ATOM 876 CB THR A 62 4.721 8.981 -0.198 1.00 0.00 C ATOM 877 OG1 THR A 62 4.533 10.308 -0.701 1.00 0.00 O ATOM 878 CG2 THR A 62 3.840 8.766 1.023 1.00 0.00 C ATOM 0 H THR A 62 6.835 8.463 -1.829 1.00 0.00 H new ATOM 0 HA THR A 62 6.499 9.455 0.929 1.00 0.00 H new ATOM 0 HB THR A 62 4.435 8.260 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.695 10.350 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.797 8.933 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.962 7.745 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.128 9.466 1.807 1.00 0.00 H new ATOM 886 N LYS A 63 6.306 7.163 1.976 1.00 0.00 N ATOM 887 CA LYS A 63 6.457 5.850 2.592 1.00 0.00 C ATOM 888 C LYS A 63 5.123 5.111 2.630 1.00 0.00 C ATOM 889 O LYS A 63 4.121 5.642 3.110 1.00 0.00 O ATOM 890 CB LYS A 63 7.015 5.991 4.010 1.00 0.00 C ATOM 891 CG LYS A 63 8.522 6.172 4.056 1.00 0.00 C ATOM 892 CD LYS A 63 9.010 6.434 5.471 1.00 0.00 C ATOM 893 CE LYS A 63 8.931 7.911 5.824 1.00 0.00 C ATOM 894 NZ LYS A 63 7.524 8.362 6.010 1.00 0.00 N ATOM 0 H LYS A 63 6.141 7.922 2.637 1.00 0.00 H new ATOM 0 HA LYS A 63 7.156 5.271 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.540 6.844 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.746 5.106 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.009 5.280 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.809 7.003 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.411 5.858 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.039 6.089 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.496 8.097 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.399 8.499 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.499 9.151 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.137 8.676 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.952 7.574 6.376 1.00 0.00 H new ATOM 908 N TYR A 64 5.118 3.883 2.124 1.00 0.00 N ATOM 909 CA TYR A 64 3.907 3.071 2.099 1.00 0.00 C ATOM 910 C TYR A 64 4.113 1.763 2.857 1.00 0.00 C ATOM 911 O TYR A 64 5.100 1.060 2.647 1.00 0.00 O ATOM 912 CB TYR A 64 3.494 2.777 0.656 1.00 0.00 C ATOM 913 CG TYR A 64 3.732 3.933 -0.289 1.00 0.00 C ATOM 914 CD1 TYR A 64 2.756 4.901 -0.494 1.00 0.00 C ATOM 915 CD2 TYR A 64 4.933 4.057 -0.978 1.00 0.00 C ATOM 916 CE1 TYR A 64 2.969 5.958 -1.358 1.00 0.00 C ATOM 917 CE2 TYR A 64 5.155 5.112 -1.842 1.00 0.00 C ATOM 918 CZ TYR A 64 4.170 6.059 -2.029 1.00 0.00 C ATOM 919 OH TYR A 64 4.387 7.111 -2.890 1.00 0.00 O ATOM 0 H TYR A 64 5.939 3.428 1.725 1.00 0.00 H new ATOM 0 HA TYR A 64 3.113 3.634 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.046 1.907 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.436 2.514 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.815 4.826 0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.706 3.316 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.199 6.701 -1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.095 5.195 -2.368 1.00 0.00 H new ATOM 0 HH TYR A 64 5.283 7.035 -3.280 1.00 0.00 H new ATOM 929 N GLN A 65 3.171 1.445 3.740 1.00 0.00 N ATOM 930 CA GLN A 65 3.248 0.222 4.530 1.00 0.00 C ATOM 931 C GLN A 65 2.377 -0.874 3.925 1.00 0.00 C ATOM 932 O GLN A 65 1.239 -0.626 3.525 1.00 0.00 O ATOM 933 CB GLN A 65 2.818 0.493 5.973 1.00 0.00 C ATOM 934 CG GLN A 65 3.327 -0.540 6.965 1.00 0.00 C ATOM 935 CD GLN A 65 4.832 -0.492 7.137 1.00 0.00 C ATOM 936 OE1 GLN A 65 5.536 0.162 6.367 1.00 0.00 O ATOM 937 NE2 GLN A 65 5.335 -1.186 8.151 1.00 0.00 N ATOM 0 H GLN A 65 2.347 2.017 3.926 1.00 0.00 H new ATOM 0 HA GLN A 65 4.284 -0.118 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.177 1.478 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.729 0.523 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.849 -0.377 7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.035 -1.535 6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.715 -1.714 8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.342 -1.191 8.316 1.00 0.00 H new ATOM 946 N VAL A 66 2.919 -2.086 3.859 1.00 0.00 N ATOM 947 CA VAL A 66 2.190 -3.220 3.303 1.00 0.00 C ATOM 948 C VAL A 66 2.056 -4.342 4.326 1.00 0.00 C ATOM 949 O VAL A 66 3.054 -4.896 4.789 1.00 0.00 O ATOM 950 CB VAL A 66 2.884 -3.769 2.042 1.00 0.00 C ATOM 951 CG1 VAL A 66 2.091 -4.927 1.457 1.00 0.00 C ATOM 952 CG2 VAL A 66 3.068 -2.664 1.012 1.00 0.00 C ATOM 0 H VAL A 66 3.860 -2.308 4.184 1.00 0.00 H new ATOM 0 HA VAL A 66 1.198 -2.858 3.034 1.00 0.00 H new ATOM 0 HB VAL A 66 3.869 -4.141 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.597 -5.301 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.016 -5.726 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.091 -4.585 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.560 -3.069 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.094 -2.261 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.682 -1.870 1.436 1.00 0.00 H new ATOM 962 N ASP A 67 0.818 -4.673 4.674 1.00 0.00 N ATOM 963 CA ASP A 67 0.553 -5.732 5.641 1.00 0.00 C ATOM 964 C ASP A 67 -0.171 -6.902 4.982 1.00 0.00 C ATOM 965 O ASP A 67 -1.345 -6.799 4.626 1.00 0.00 O ATOM 966 CB ASP A 67 -0.280 -5.192 6.805 1.00 0.00 C ATOM 967 CG ASP A 67 -0.679 -6.278 7.785 1.00 0.00 C ATOM 968 OD1 ASP A 67 -1.712 -6.938 7.551 1.00 0.00 O ATOM 969 OD2 ASP A 67 0.043 -6.467 8.787 1.00 0.00 O ATOM 0 H ASP A 67 -0.018 -4.223 4.301 1.00 0.00 H new ATOM 0 HA ASP A 67 1.510 -6.089 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.289 -4.425 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.177 -4.712 6.414 1.00 0.00 H new ATOM 974 N LEU A 68 0.538 -8.014 4.821 1.00 0.00 N ATOM 975 CA LEU A 68 -0.035 -9.204 4.203 1.00 0.00 C ATOM 976 C LEU A 68 -1.035 -9.876 5.139 1.00 0.00 C ATOM 977 O LEU A 68 -2.133 -10.247 4.728 1.00 0.00 O ATOM 978 CB LEU A 68 1.071 -10.191 3.827 1.00 0.00 C ATOM 979 CG LEU A 68 1.804 -9.910 2.514 1.00 0.00 C ATOM 980 CD1 LEU A 68 0.907 -10.222 1.326 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.274 -8.464 2.465 1.00 0.00 C ATOM 0 H LEU A 68 1.511 -8.116 5.110 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.561 -8.896 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.805 -10.208 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.636 -11.189 3.771 1.00 0.00 H new ATOM 0 HG LEU A 68 2.680 -10.557 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.445 -10.016 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.620 -11.273 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.013 -9.600 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.793 -8.282 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.414 -7.799 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.952 -8.274 3.297 1.00 0.00 H new ATOM 993 N GLY A 69 -0.646 -10.027 6.402 1.00 0.00 N ATOM 994 CA GLY A 69 -1.520 -10.652 7.377 1.00 0.00 C ATOM 995 C GLY A 69 -0.966 -11.963 7.897 1.00 0.00 C ATOM 996 O GLY A 69 -0.737 -12.116 9.097 1.00 0.00 O ATOM 0 H GLY A 69 0.258 -9.728 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.674 -9.969 8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.496 -10.828 6.925 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.751 -12.912 6.993 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.220 -14.218 7.367 1.00 0.00 C ATOM 1002 C ASP A 70 1.004 -14.071 8.265 1.00 0.00 C ATOM 1003 O ASP A 70 1.058 -14.637 9.356 1.00 0.00 O ATOM 1004 CB ASP A 70 0.143 -15.022 6.117 1.00 0.00 C ATOM 1005 CG ASP A 70 0.884 -14.190 5.089 1.00 0.00 C ATOM 1006 OD1 ASP A 70 0.300 -13.206 4.588 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.049 -14.522 4.786 1.00 0.00 O ATOM 0 H ASP A 70 -0.936 -12.802 5.996 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.993 -14.751 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.759 -15.874 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.767 -15.422 5.669 1.00 0.00 H new ATOM 1012 N GLY A 71 1.986 -13.306 7.797 1.00 0.00 N ATOM 1013 CA GLY A 71 3.197 -13.099 8.570 1.00 0.00 C ATOM 1014 C GLY A 71 4.266 -12.363 7.787 1.00 0.00 C ATOM 1015 O GLY A 71 5.460 -12.561 8.015 1.00 0.00 O ATOM 0 H GLY A 71 1.965 -12.826 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.957 -12.534 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.587 -14.064 8.893 1.00 0.00 H new ATOM 1019 N PHE A 72 3.838 -11.512 6.860 1.00 0.00 N ATOM 1020 CA PHE A 72 4.767 -10.746 6.038 1.00 0.00 C ATOM 1021 C PHE A 72 4.626 -9.251 6.308 1.00 0.00 C ATOM 1022 O PHE A 72 3.528 -8.697 6.243 1.00 0.00 O ATOM 1023 CB PHE A 72 4.526 -11.033 4.555 1.00 0.00 C ATOM 1024 CG PHE A 72 5.741 -10.821 3.698 1.00 0.00 C ATOM 1025 CD1 PHE A 72 6.884 -11.579 3.893 1.00 0.00 C ATOM 1026 CD2 PHE A 72 5.740 -9.863 2.696 1.00 0.00 C ATOM 1027 CE1 PHE A 72 8.003 -11.385 3.106 1.00 0.00 C ATOM 1028 CE2 PHE A 72 6.856 -9.665 1.906 1.00 0.00 C ATOM 1029 CZ PHE A 72 7.989 -10.428 2.111 1.00 0.00 C ATOM 0 H PHE A 72 2.854 -11.336 6.659 1.00 0.00 H new ATOM 0 HA PHE A 72 5.780 -11.051 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.187 -12.063 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.721 -10.392 4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.901 -12.330 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.856 -9.264 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.888 -11.982 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.843 -8.915 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.862 -10.276 1.494 1.00 0.00 H new ATOM 1039 N LYS A 73 5.745 -8.602 6.611 1.00 0.00 N ATOM 1040 CA LYS A 73 5.749 -7.171 6.890 1.00 0.00 C ATOM 1041 C LYS A 73 6.981 -6.502 6.289 1.00 0.00 C ATOM 1042 O LYS A 73 8.112 -6.905 6.560 1.00 0.00 O ATOM 1043 CB LYS A 73 5.708 -6.925 8.400 1.00 0.00 C ATOM 1044 CG LYS A 73 4.431 -7.415 9.061 1.00 0.00 C ATOM 1045 CD LYS A 73 4.365 -7.000 10.521 1.00 0.00 C ATOM 1046 CE LYS A 73 3.447 -7.914 11.319 1.00 0.00 C ATOM 1047 NZ LYS A 73 2.821 -7.204 12.469 1.00 0.00 N ATOM 0 H LYS A 73 6.662 -9.045 6.670 1.00 0.00 H new ATOM 0 HA LYS A 73 4.861 -6.735 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.561 -7.421 8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.819 -5.857 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.568 -7.015 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.376 -8.501 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.366 -7.021 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.009 -5.972 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.667 -8.306 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.015 -8.769 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.203 -7.860 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.564 -6.852 13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.258 -6.403 12.118 1.00 0.00 H new ATOM 1061 N ALA A 74 6.755 -5.479 5.472 1.00 0.00 N ATOM 1062 CA ALA A 74 7.847 -4.753 4.836 1.00 0.00 C ATOM 1063 C ALA A 74 7.462 -3.301 4.574 1.00 0.00 C ATOM 1064 O ALA A 74 6.286 -2.942 4.626 1.00 0.00 O ATOM 1065 CB ALA A 74 8.250 -5.436 3.538 1.00 0.00 C ATOM 0 H ALA A 74 5.825 -5.134 5.235 1.00 0.00 H new ATOM 0 HA ALA A 74 8.699 -4.759 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.067 -4.883 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.576 -6.455 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.397 -5.461 2.860 1.00 0.00 H new ATOM 1071 N MET A 75 8.460 -2.470 4.293 1.00 0.00 N ATOM 1072 CA MET A 75 8.225 -1.056 4.022 1.00 0.00 C ATOM 1073 C MET A 75 8.938 -0.621 2.746 1.00 0.00 C ATOM 1074 O MET A 75 10.158 -0.453 2.732 1.00 0.00 O ATOM 1075 CB MET A 75 8.698 -0.204 5.201 1.00 0.00 C ATOM 1076 CG MET A 75 8.554 1.291 4.966 1.00 0.00 C ATOM 1077 SD MET A 75 9.629 2.268 6.035 1.00 0.00 S ATOM 1078 CE MET A 75 10.550 3.208 4.820 1.00 0.00 C ATOM 0 H MET A 75 9.439 -2.751 4.247 1.00 0.00 H new ATOM 0 HA MET A 75 7.153 -0.911 3.885 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.130 -0.480 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.744 -0.432 5.407 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.783 1.515 3.924 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.518 1.583 5.134 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.970 4.097 5.290 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.357 2.594 4.420 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.885 3.506 4.010 1.00 0.00 H new ATOM 1088 N TYR A 76 8.171 -0.440 1.677 1.00 0.00 N ATOM 1089 CA TYR A 76 8.730 -0.027 0.396 1.00 0.00 C ATOM 1090 C TYR A 76 8.581 1.478 0.196 1.00 0.00 C ATOM 1091 O TYR A 76 7.539 2.057 0.503 1.00 0.00 O ATOM 1092 CB TYR A 76 8.045 -0.775 -0.749 1.00 0.00 C ATOM 1093 CG TYR A 76 7.897 -2.259 -0.500 1.00 0.00 C ATOM 1094 CD1 TYR A 76 6.788 -2.764 0.169 1.00 0.00 C ATOM 1095 CD2 TYR A 76 8.866 -3.156 -0.932 1.00 0.00 C ATOM 1096 CE1 TYR A 76 6.649 -4.119 0.399 1.00 0.00 C ATOM 1097 CE2 TYR A 76 8.734 -4.513 -0.707 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.624 -4.989 -0.041 1.00 0.00 C ATOM 1099 OH TYR A 76 7.490 -6.340 0.186 1.00 0.00 O ATOM 0 H TYR A 76 7.160 -0.573 1.672 1.00 0.00 H new ATOM 0 HA TYR A 76 9.792 -0.272 0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.058 -0.343 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.617 -0.624 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.022 -2.086 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.737 -2.786 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.781 -4.495 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.496 -5.197 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 76 8.262 -6.813 -0.188 1.00 0.00 H new ATOM 1109 N VAL A 77 9.632 2.107 -0.321 1.00 0.00 N ATOM 1110 CA VAL A 77 9.619 3.544 -0.564 1.00 0.00 C ATOM 1111 C VAL A 77 9.720 3.851 -2.055 1.00 0.00 C ATOM 1112 O VAL A 77 10.469 3.200 -2.782 1.00 0.00 O ATOM 1113 CB VAL A 77 10.774 4.249 0.173 1.00 0.00 C ATOM 1114 CG1 VAL A 77 10.729 5.749 -0.074 1.00 0.00 C ATOM 1115 CG2 VAL A 77 10.719 3.943 1.662 1.00 0.00 C ATOM 0 H VAL A 77 10.503 1.643 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 77 8.670 3.920 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 77 11.718 3.870 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.552 6.230 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.820 5.945 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.782 6.149 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.542 4.448 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.771 4.294 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.805 2.867 1.816 1.00 0.00 H new ATOM 1125 N ASN A 78 8.962 4.846 -2.501 1.00 0.00 N ATOM 1126 CA ASN A 78 8.966 5.239 -3.906 1.00 0.00 C ATOM 1127 C ASN A 78 8.439 4.111 -4.788 1.00 0.00 C ATOM 1128 O ASN A 78 8.934 3.891 -5.894 1.00 0.00 O ATOM 1129 CB ASN A 78 10.379 5.627 -4.344 1.00 0.00 C ATOM 1130 CG ASN A 78 10.383 6.474 -5.602 1.00 0.00 C ATOM 1131 OD1 ASN A 78 11.103 6.183 -6.558 1.00 0.00 O ATOM 1132 ND2 ASN A 78 9.576 7.528 -5.608 1.00 0.00 N ATOM 0 H ASN A 78 8.337 5.395 -1.911 1.00 0.00 H new ATOM 0 HA ASN A 78 8.309 6.101 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.868 6.175 -3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.964 4.723 -4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.535 8.134 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.997 7.731 -4.793 1.00 0.00 H new ATOM 1139 N LEU A 79 7.433 3.401 -4.292 1.00 0.00 N ATOM 1140 CA LEU A 79 6.837 2.295 -5.035 1.00 0.00 C ATOM 1141 C LEU A 79 6.199 2.790 -6.329 1.00 0.00 C ATOM 1142 O LEU A 79 6.584 2.375 -7.423 1.00 0.00 O ATOM 1143 CB LEU A 79 5.790 1.583 -4.177 1.00 0.00 C ATOM 1144 CG LEU A 79 5.346 0.204 -4.666 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.474 -0.805 -4.514 1.00 0.00 C ATOM 1146 CD2 LEU A 79 4.110 -0.258 -3.909 1.00 0.00 C ATOM 0 H LEU A 79 7.012 3.571 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 79 7.630 1.591 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.187 1.478 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.910 2.223 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 79 5.093 0.279 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.140 -1.781 -4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.333 -0.481 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.759 -0.877 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.808 -1.241 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.336 -0.316 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.299 0.452 -4.069 1.00 0.00 H new ATOM 1158 N THR A 80 5.222 3.682 -6.198 1.00 0.00 N ATOM 1159 CA THR A 80 4.532 4.235 -7.356 1.00 0.00 C ATOM 1160 C THR A 80 5.517 4.605 -8.459 1.00 0.00 C ATOM 1161 O THR A 80 5.255 4.381 -9.641 1.00 0.00 O ATOM 1162 CB THR A 80 3.709 5.481 -6.978 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.520 6.395 -6.232 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.487 5.095 -6.158 1.00 0.00 C ATOM 0 H THR A 80 4.891 4.037 -5.301 1.00 0.00 H new ATOM 0 HA THR A 80 3.857 3.461 -7.721 1.00 0.00 H new ATOM 0 HB THR A 80 3.373 5.960 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.990 7.185 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.922 5.992 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.857 4.422 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.806 4.595 -5.243 1.00 0.00 H new ATOM 1172 N LEU A 81 6.651 5.173 -8.065 1.00 0.00 N ATOM 1173 CA LEU A 81 7.678 5.575 -9.021 1.00 0.00 C ATOM 1174 C LEU A 81 8.387 4.356 -9.603 1.00 0.00 C ATOM 1175 O LEU A 81 8.505 4.214 -10.820 1.00 0.00 O ATOM 1176 CB LEU A 81 8.695 6.499 -8.349 1.00 0.00 C ATOM 1177 CG LEU A 81 9.833 7.003 -9.237 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.440 8.271 -8.658 1.00 0.00 C ATOM 1179 CD2 LEU A 81 10.897 5.927 -9.403 1.00 0.00 C ATOM 0 H LEU A 81 6.883 5.366 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 81 7.191 6.112 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.163 7.362 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.130 5.972 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 81 9.425 7.237 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.248 8.615 -9.303 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.674 9.044 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.833 8.064 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.699 6.303 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.302 5.662 -8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.453 5.045 -9.864 1.00 0.00 H new ATOM 1191 N THR A 82 8.857 3.476 -8.724 1.00 0.00 N ATOM 1192 CA THR A 82 9.554 2.269 -9.149 1.00 0.00 C ATOM 1193 C THR A 82 8.661 1.399 -10.027 1.00 0.00 C ATOM 1194 O THR A 82 9.147 0.643 -10.867 1.00 0.00 O ATOM 1195 CB THR A 82 10.031 1.440 -7.941 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.928 1.168 -7.069 1.00 0.00 O ATOM 1197 CG2 THR A 82 11.120 2.176 -7.176 1.00 0.00 C ATOM 0 H THR A 82 8.767 3.577 -7.713 1.00 0.00 H new ATOM 0 HA THR A 82 10.422 2.591 -9.724 1.00 0.00 H new ATOM 0 HB THR A 82 10.442 0.501 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.111 1.557 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.441 1.571 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.969 2.356 -7.835 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.731 3.129 -6.816 1.00 0.00 H new ATOM 1205 N GLY A 83 7.352 1.512 -9.827 1.00 0.00 N ATOM 1206 CA GLY A 83 6.412 0.731 -10.610 1.00 0.00 C ATOM 1207 C GLY A 83 6.367 -0.722 -10.180 1.00 0.00 C ATOM 1208 O GLY A 83 5.290 -1.286 -9.989 1.00 0.00 O ATOM 0 H GLY A 83 6.925 2.130 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.417 1.165 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.687 0.787 -11.663 1.00 0.00 H new ATOM 1212 N GLU A 84 7.540 -1.329 -10.029 1.00 0.00 N ATOM 1213 CA GLU A 84 7.629 -2.727 -9.621 1.00 0.00 C ATOM 1214 C GLU A 84 6.542 -3.068 -8.606 1.00 0.00 C ATOM 1215 O GLU A 84 6.494 -2.523 -7.503 1.00 0.00 O ATOM 1216 CB GLU A 84 9.008 -3.020 -9.026 1.00 0.00 C ATOM 1217 CG GLU A 84 10.155 -2.754 -9.986 1.00 0.00 C ATOM 1218 CD GLU A 84 11.403 -3.541 -9.636 1.00 0.00 C ATOM 1219 OE1 GLU A 84 12.108 -3.143 -8.685 1.00 0.00 O ATOM 1220 OE2 GLU A 84 11.675 -4.554 -10.314 1.00 0.00 O ATOM 0 H GLU A 84 8.441 -0.876 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 84 7.483 -3.347 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.145 -2.412 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.044 -4.063 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.842 -3.008 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.388 -1.689 -9.981 1.00 0.00 H new ATOM 1227 N PRO A 85 5.647 -3.992 -8.987 1.00 0.00 N ATOM 1228 CA PRO A 85 4.543 -4.427 -8.125 1.00 0.00 C ATOM 1229 C PRO A 85 5.027 -5.245 -6.933 1.00 0.00 C ATOM 1230 O PRO A 85 6.224 -5.486 -6.778 1.00 0.00 O ATOM 1231 CB PRO A 85 3.687 -5.291 -9.055 1.00 0.00 C ATOM 1232 CG PRO A 85 4.634 -5.781 -10.095 1.00 0.00 C ATOM 1233 CD PRO A 85 5.643 -4.683 -10.287 1.00 0.00 C ATOM 0 HA PRO A 85 4.007 -3.583 -7.691 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.229 -6.120 -8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.877 -4.712 -9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.118 -6.705 -9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.112 -5.998 -11.027 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.627 -5.081 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.358 -4.012 -11.098 1.00 0.00 H new ATOM 1241 N ILE A 86 4.089 -5.669 -6.093 1.00 0.00 N ATOM 1242 CA ILE A 86 4.420 -6.461 -4.915 1.00 0.00 C ATOM 1243 C ILE A 86 3.948 -7.903 -5.072 1.00 0.00 C ATOM 1244 O ILE A 86 2.751 -8.184 -5.014 1.00 0.00 O ATOM 1245 CB ILE A 86 3.795 -5.864 -3.641 1.00 0.00 C ATOM 1246 CG1 ILE A 86 4.461 -4.530 -3.297 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.923 -6.840 -2.481 1.00 0.00 C ATOM 1248 CD1 ILE A 86 3.566 -3.590 -2.521 1.00 0.00 C ATOM 0 H ILE A 86 3.094 -5.477 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 86 5.506 -6.445 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 86 2.736 -5.684 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.363 -4.723 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.775 -4.041 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.477 -6.404 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.408 -7.768 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.977 -7.048 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.104 -2.665 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.676 -3.367 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.273 -4.059 -1.582 1.00 0.00 H new ATOM 1260 N ARG A 87 4.896 -8.813 -5.269 1.00 0.00 N ATOM 1261 CA ARG A 87 4.577 -10.226 -5.433 1.00 0.00 C ATOM 1262 C ARG A 87 4.745 -10.977 -4.115 1.00 0.00 C ATOM 1263 O ARG A 87 5.696 -10.740 -3.370 1.00 0.00 O ATOM 1264 CB ARG A 87 5.471 -10.851 -6.506 1.00 0.00 C ATOM 1265 CG ARG A 87 5.042 -12.250 -6.917 1.00 0.00 C ATOM 1266 CD ARG A 87 5.767 -12.709 -8.172 1.00 0.00 C ATOM 1267 NE ARG A 87 7.203 -12.452 -8.099 1.00 0.00 N ATOM 1268 CZ ARG A 87 7.983 -12.330 -9.167 1.00 0.00 C ATOM 1269 NH1 ARG A 87 7.468 -12.441 -10.384 1.00 0.00 N ATOM 1270 NH2 ARG A 87 9.281 -12.096 -9.020 1.00 0.00 N ATOM 0 H ARG A 87 5.892 -8.597 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 87 3.536 -10.304 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.472 -10.207 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.496 -10.888 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.243 -12.947 -6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.966 -12.265 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.597 -13.775 -8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.351 -12.197 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 87 7.630 -12.361 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.471 -12.620 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.069 -12.347 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.681 -12.010 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.879 -12.003 -9.841 1.00 0.00 H new ATOM 1284 N HIS A 88 3.814 -11.884 -3.835 1.00 0.00 N ATOM 1285 CA HIS A 88 3.859 -12.671 -2.608 1.00 0.00 C ATOM 1286 C HIS A 88 2.914 -13.866 -2.694 1.00 0.00 C ATOM 1287 O HIS A 88 1.759 -13.728 -3.098 1.00 0.00 O ATOM 1288 CB HIS A 88 3.491 -11.801 -1.406 1.00 0.00 C ATOM 1289 CG HIS A 88 3.372 -12.568 -0.125 1.00 0.00 C ATOM 1290 ND1 HIS A 88 4.438 -12.791 0.721 1.00 0.00 N ATOM 1291 CD2 HIS A 88 2.303 -13.164 0.454 1.00 0.00 C ATOM 1292 CE1 HIS A 88 4.031 -13.492 1.764 1.00 0.00 C ATOM 1293 NE2 HIS A 88 2.739 -13.731 1.626 1.00 0.00 N ATOM 0 H HIS A 88 3.020 -12.092 -4.441 1.00 0.00 H new ATOM 0 HA HIS A 88 4.876 -13.043 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.246 -11.024 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.545 -11.298 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.295 -13.189 0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.649 -13.815 2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 88 2.159 -14.252 2.284 1.00 0.00 H new ATOM 1302 N ARG A 89 3.412 -15.037 -2.312 1.00 0.00 N ATOM 1303 CA ARG A 89 2.613 -16.256 -2.348 1.00 0.00 C ATOM 1304 C ARG A 89 2.372 -16.790 -0.939 1.00 0.00 C ATOM 1305 O ARG A 89 3.113 -16.472 -0.008 1.00 0.00 O ATOM 1306 CB ARG A 89 3.309 -17.322 -3.196 1.00 0.00 C ATOM 1307 CG ARG A 89 4.763 -17.550 -2.817 1.00 0.00 C ATOM 1308 CD ARG A 89 5.304 -18.832 -3.430 1.00 0.00 C ATOM 1309 NE ARG A 89 6.383 -19.407 -2.631 1.00 0.00 N ATOM 1310 CZ ARG A 89 7.285 -20.254 -3.115 1.00 0.00 C ATOM 1311 NH1 ARG A 89 7.239 -20.620 -4.388 1.00 0.00 N ATOM 1312 NH2 ARG A 89 8.237 -20.734 -2.325 1.00 0.00 N ATOM 0 H ARG A 89 4.365 -15.168 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 89 1.649 -16.016 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.766 -18.262 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.258 -17.030 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.364 -16.704 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.854 -17.598 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.496 -19.558 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.668 -18.627 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 89 6.448 -19.144 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.510 -20.251 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.933 -21.270 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.277 -20.453 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.929 -21.384 -2.697 1.00 0.00 H new ATOM 1326 N TYR A 90 1.331 -17.601 -0.790 1.00 0.00 N ATOM 1327 CA TYR A 90 0.990 -18.176 0.506 1.00 0.00 C ATOM 1328 C TYR A 90 1.215 -19.685 0.508 1.00 0.00 C ATOM 1329 O TYR A 90 1.392 -20.298 -0.544 1.00 0.00 O ATOM 1330 CB TYR A 90 -0.466 -17.866 0.858 1.00 0.00 C ATOM 1331 CG TYR A 90 -0.815 -16.399 0.753 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -0.463 -15.507 1.758 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -1.496 -15.904 -0.353 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -0.781 -14.166 1.667 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -1.817 -14.564 -0.454 1.00 0.00 C ATOM 1336 CZ TYR A 90 -1.457 -13.699 0.559 1.00 0.00 C ATOM 1337 OH TYR A 90 -1.774 -12.363 0.463 1.00 0.00 O ATOM 0 H TYR A 90 0.709 -17.875 -1.550 1.00 0.00 H new ATOM 0 HA TYR A 90 1.641 -17.728 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.120 -18.435 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.666 -18.207 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.069 -15.868 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.779 -16.579 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.502 -13.487 2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.346 -14.196 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.248 -12.199 -0.379 1.00 0.00 H new ATOM 1347 N GLU A 91 1.205 -20.277 1.699 1.00 0.00 N ATOM 1348 CA GLU A 91 1.409 -21.714 1.839 1.00 0.00 C ATOM 1349 C GLU A 91 0.073 -22.452 1.871 1.00 0.00 C ATOM 1350 O GLU A 91 -0.119 -23.440 1.163 1.00 0.00 O ATOM 1351 CB GLU A 91 2.202 -22.017 3.111 1.00 0.00 C ATOM 1352 CG GLU A 91 2.799 -23.414 3.137 1.00 0.00 C ATOM 1353 CD GLU A 91 4.148 -23.485 2.448 1.00 0.00 C ATOM 1354 OE1 GLU A 91 4.253 -23.003 1.301 1.00 0.00 O ATOM 1355 OE2 GLU A 91 5.098 -24.023 3.055 1.00 0.00 O ATOM 0 H GLU A 91 1.058 -19.784 2.580 1.00 0.00 H new ATOM 0 HA GLU A 91 1.976 -22.061 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.004 -21.286 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.548 -21.894 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.906 -23.740 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.111 -24.108 2.654 1.00 0.00 H new ATOM 1362 N SER A 92 -0.846 -21.964 2.698 1.00 0.00 N ATOM 1363 CA SER A 92 -2.162 -22.579 2.826 1.00 0.00 C ATOM 1364 C SER A 92 -3.254 -21.633 2.336 1.00 0.00 C ATOM 1365 O SER A 92 -3.101 -20.411 2.342 1.00 0.00 O ATOM 1366 CB SER A 92 -2.425 -22.970 4.282 1.00 0.00 C ATOM 1367 OG SER A 92 -1.787 -24.193 4.605 1.00 0.00 O ATOM 0 H SER A 92 -0.704 -21.145 3.289 1.00 0.00 H new ATOM 0 HA SER A 92 -2.179 -23.476 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.065 -22.182 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.498 -23.061 4.449 1.00 0.00 H new ATOM 0 HG SER A 92 -1.969 -24.420 5.541 1.00 0.00 H new ATOM 1373 N PRO A 93 -4.384 -22.209 1.901 1.00 0.00 N ATOM 1374 CA PRO A 93 -5.524 -21.437 1.400 1.00 0.00 C ATOM 1375 C PRO A 93 -6.231 -20.661 2.507 1.00 0.00 C ATOM 1376 O PRO A 93 -6.038 -20.936 3.690 1.00 0.00 O ATOM 1377 CB PRO A 93 -6.452 -22.509 0.823 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.106 -23.751 1.569 1.00 0.00 C ATOM 1379 CD PRO A 93 -4.635 -23.660 1.866 1.00 0.00 C ATOM 0 HA PRO A 93 -5.218 -20.683 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.500 -22.242 0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.295 -22.634 -0.248 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.686 -23.828 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.330 -24.638 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.387 -24.134 2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.039 -24.153 1.098 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.049 -19.690 2.113 1.00 0.00 N ATOM 1388 CA GLY A 94 -7.772 -18.890 3.084 1.00 0.00 C ATOM 1389 C GLY A 94 -7.804 -17.420 2.715 1.00 0.00 C ATOM 1390 O GLY A 94 -6.864 -16.905 2.111 1.00 0.00 O ATOM 0 H GLY A 94 -7.224 -19.443 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.793 -19.262 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.308 -19.006 4.063 1.00 0.00 H new ATOM 1394 N ILE A 95 -8.889 -16.745 3.079 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.040 -15.326 2.781 1.00 0.00 C ATOM 1396 C ILE A 95 -8.035 -14.490 3.566 1.00 0.00 C ATOM 1397 O ILE A 95 -8.001 -14.533 4.796 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.463 -14.831 3.102 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.494 -15.610 2.283 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.579 -13.339 2.829 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -11.499 -15.247 0.815 1.00 0.00 C ATOM 0 H ILE A 95 -9.676 -17.157 3.580 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.855 -15.207 1.714 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.662 -15.003 4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.295 -16.677 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.486 -15.430 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.590 -13.004 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.866 -12.799 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.364 -13.144 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.254 -15.838 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.728 -14.187 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.519 -15.454 0.386 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.218 -13.728 2.846 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.211 -12.882 3.475 1.00 0.00 C ATOM 1415 C TYR A 96 -6.662 -11.424 3.500 1.00 0.00 C ATOM 1416 O TYR A 96 -7.517 -11.014 2.715 1.00 0.00 O ATOM 1417 CB TYR A 96 -4.879 -13.002 2.733 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.238 -14.366 2.855 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.599 -14.752 4.028 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -4.270 -15.268 1.799 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -3.012 -15.997 4.144 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -3.687 -16.515 1.908 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.059 -16.875 3.082 1.00 0.00 C ATOM 1424 OH TYR A 96 -2.475 -18.116 3.193 1.00 0.00 O ATOM 0 H TYR A 96 -7.234 -13.679 1.827 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.079 -13.220 4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.039 -12.778 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.190 -12.250 3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.561 -14.067 4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.759 -14.989 0.877 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.519 -16.281 5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.723 -17.205 1.078 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.818 -18.703 2.487 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.081 -10.647 4.408 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.423 -9.236 4.538 1.00 0.00 C ATOM 1436 C ARG A 97 -5.194 -8.357 4.322 1.00 0.00 C ATOM 1437 O ARG A 97 -4.268 -8.356 5.134 1.00 0.00 O ATOM 1438 CB ARG A 97 -7.026 -8.960 5.916 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.377 -9.620 6.133 1.00 0.00 C ATOM 1440 CD ARG A 97 -9.050 -9.109 7.398 1.00 0.00 C ATOM 1441 NE ARG A 97 -10.381 -9.681 7.579 1.00 0.00 N ATOM 1442 CZ ARG A 97 -10.597 -10.917 8.016 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -9.574 -11.705 8.315 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -11.837 -11.366 8.155 1.00 0.00 N ATOM 0 H ARG A 97 -5.371 -10.971 5.065 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.160 -8.994 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.334 -9.308 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.132 -7.883 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.020 -9.427 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.249 -10.700 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.431 -9.352 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.125 -8.022 7.355 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.190 -9.100 7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.619 -11.363 8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.742 -12.654 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.627 -10.762 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.001 -12.315 8.491 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.192 -7.610 3.223 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.078 -6.727 2.900 1.00 0.00 C ATOM 1460 C VAL A 98 -4.449 -5.267 3.136 1.00 0.00 C ATOM 1461 O VAL A 98 -5.593 -4.865 2.927 1.00 0.00 O ATOM 1462 CB VAL A 98 -3.628 -6.901 1.438 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.335 -6.142 1.183 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.465 -8.376 1.103 1.00 0.00 C ATOM 0 H VAL A 98 -5.950 -7.599 2.541 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.255 -7.002 3.560 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.398 -6.487 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.033 -6.277 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.491 -5.081 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.554 -6.523 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.147 -8.481 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.715 -8.817 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.417 -8.888 1.244 1.00 0.00 H new ATOM 1474 N SER A 99 -3.472 -4.477 3.572 1.00 0.00 N ATOM 1475 CA SER A 99 -3.697 -3.061 3.839 1.00 0.00 C ATOM 1476 C SER A 99 -2.575 -2.213 3.248 1.00 0.00 C ATOM 1477 O SER A 99 -1.528 -2.730 2.860 1.00 0.00 O ATOM 1478 CB SER A 99 -3.799 -2.815 5.345 1.00 0.00 C ATOM 1479 OG SER A 99 -2.547 -3.011 5.980 1.00 0.00 O ATOM 0 H SER A 99 -2.518 -4.793 3.748 1.00 0.00 H new ATOM 0 HA SER A 99 -4.636 -2.771 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.148 -1.799 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.539 -3.489 5.777 1.00 0.00 H new ATOM 0 HG SER A 99 -2.639 -2.846 6.942 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.802 -0.904 3.184 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.811 0.018 2.642 1.00 0.00 C ATOM 1487 C VAL A 100 -1.912 1.386 3.307 1.00 0.00 C ATOM 1488 O VAL A 100 -2.967 2.020 3.289 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.975 0.186 1.119 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -3.297 0.865 0.796 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.807 0.972 0.542 1.00 0.00 C ATOM 0 H VAL A 100 -3.663 -0.459 3.501 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.831 -0.412 2.849 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.981 -0.803 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.395 0.975 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.120 0.259 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.325 1.849 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.939 1.082 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.768 1.958 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.123 0.440 0.742 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.807 1.835 3.893 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.770 3.128 4.565 1.00 0.00 C ATOM 1503 C ARG A 101 0.109 4.114 3.801 1.00 0.00 C ATOM 1504 O ARG A 101 0.973 3.714 3.021 1.00 0.00 O ATOM 1505 CB ARG A 101 -0.253 2.969 5.996 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.798 4.010 6.960 1.00 0.00 C ATOM 1507 CD ARG A 101 -0.673 3.551 8.405 1.00 0.00 C ATOM 1508 NE ARG A 101 -1.643 4.210 9.274 1.00 0.00 N ATOM 1509 CZ ARG A 101 -1.544 4.237 10.599 1.00 0.00 C ATOM 1510 NH1 ARG A 101 -0.523 3.645 11.202 1.00 0.00 N ATOM 1511 NH2 ARG A 101 -2.467 4.858 11.322 1.00 0.00 N ATOM 0 H ARG A 101 0.075 1.322 3.916 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.786 3.522 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.516 1.976 6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.835 3.028 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.259 4.948 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.845 4.208 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.815 2.472 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.335 3.757 8.765 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.441 4.675 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.189 3.167 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.449 3.667 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.254 5.315 10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.390 4.878 12.339 1.00 0.00 H new ATOM 1525 N ALA A 102 -0.116 5.403 4.032 1.00 0.00 N ATOM 1526 CA ALA A 102 0.656 6.445 3.368 1.00 0.00 C ATOM 1527 C ALA A 102 0.546 7.770 4.113 1.00 0.00 C ATOM 1528 O ALA A 102 -0.548 8.304 4.288 1.00 0.00 O ATOM 1529 CB ALA A 102 0.194 6.607 1.927 1.00 0.00 C ATOM 0 H ALA A 102 -0.828 5.751 4.675 1.00 0.00 H new ATOM 0 HA ALA A 102 1.703 6.144 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.779 7.389 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.332 5.667 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.861 6.881 1.912 1.00 0.00 H new ATOM 1535 N GLU A 103 1.687 8.295 4.551 1.00 0.00 N ATOM 1536 CA GLU A 103 1.716 9.558 5.279 1.00 0.00 C ATOM 1537 C GLU A 103 2.854 10.445 4.783 1.00 0.00 C ATOM 1538 O GLU A 103 4.022 10.195 5.075 1.00 0.00 O ATOM 1539 CB GLU A 103 1.870 9.303 6.780 1.00 0.00 C ATOM 1540 CG GLU A 103 1.562 10.518 7.639 1.00 0.00 C ATOM 1541 CD GLU A 103 2.128 10.401 9.040 1.00 0.00 C ATOM 1542 OE1 GLU A 103 3.299 9.987 9.175 1.00 0.00 O ATOM 1543 OE2 GLU A 103 1.400 10.723 10.003 1.00 0.00 O ATOM 0 H GLU A 103 2.602 7.865 4.414 1.00 0.00 H new ATOM 0 HA GLU A 103 0.772 10.073 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.209 8.486 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.890 8.975 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.968 11.409 7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.482 10.652 7.698 1.00 0.00 H new ATOM 1550 N ASN A 104 2.502 11.483 4.031 1.00 0.00 N ATOM 1551 CA ASN A 104 3.493 12.408 3.493 1.00 0.00 C ATOM 1552 C ASN A 104 3.298 13.808 4.067 1.00 0.00 C ATOM 1553 O ASN A 104 2.336 14.067 4.790 1.00 0.00 O ATOM 1554 CB ASN A 104 3.402 12.454 1.966 1.00 0.00 C ATOM 1555 CG ASN A 104 1.981 12.656 1.477 1.00 0.00 C ATOM 1556 OD1 ASN A 104 1.170 13.301 2.142 1.00 0.00 O ATOM 1557 ND2 ASN A 104 1.673 12.105 0.309 1.00 0.00 N ATOM 0 H ASN A 104 1.538 11.705 3.781 1.00 0.00 H new ATOM 0 HA ASN A 104 4.482 12.050 3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.030 13.262 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.797 11.526 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.732 12.208 -0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.377 11.579 -0.208 1.00 0.00 H new ATOM 1564 N THR A 105 4.220 14.709 3.740 1.00 0.00 N ATOM 1565 CA THR A 105 4.151 16.082 4.223 1.00 0.00 C ATOM 1566 C THR A 105 2.759 16.669 4.015 1.00 0.00 C ATOM 1567 O THR A 105 2.120 17.124 4.963 1.00 0.00 O ATOM 1568 CB THR A 105 5.185 16.979 3.516 1.00 0.00 C ATOM 1569 OG1 THR A 105 6.483 16.380 3.587 1.00 0.00 O ATOM 1570 CG2 THR A 105 5.224 18.362 4.148 1.00 0.00 C ATOM 0 H THR A 105 5.023 14.512 3.143 1.00 0.00 H new ATOM 0 HA THR A 105 4.375 16.053 5.289 1.00 0.00 H new ATOM 0 HB THR A 105 4.890 17.082 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.134 16.955 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.961 18.977 3.632 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.242 18.827 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.497 18.274 5.200 1.00 0.00 H new ATOM 1578 N ALA A 106 2.296 16.655 2.770 1.00 0.00 N ATOM 1579 CA ALA A 106 0.979 17.184 2.439 1.00 0.00 C ATOM 1580 C ALA A 106 -0.096 16.581 3.337 1.00 0.00 C ATOM 1581 O ALA A 106 -0.715 17.282 4.137 1.00 0.00 O ATOM 1582 CB ALA A 106 0.657 16.918 0.975 1.00 0.00 C ATOM 0 H ALA A 106 2.814 16.283 1.974 1.00 0.00 H new ATOM 0 HA ALA A 106 0.994 18.261 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.329 17.318 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.404 17.401 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.666 15.844 0.790 1.00 0.00 H new ATOM 1588 N GLY A 107 -0.314 15.277 3.198 1.00 0.00 N ATOM 1589 CA GLY A 107 -1.315 14.602 4.003 1.00 0.00 C ATOM 1590 C GLY A 107 -1.037 13.120 4.153 1.00 0.00 C ATOM 1591 O GLY A 107 0.119 12.702 4.229 1.00 0.00 O ATOM 0 H GLY A 107 0.185 14.676 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.354 15.063 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.296 14.740 3.548 1.00 0.00 H new ATOM 1595 N HIS A 108 -2.099 12.322 4.199 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.963 10.876 4.342 1.00 0.00 C ATOM 1597 C HIS A 108 -3.113 10.151 3.648 1.00 0.00 C ATOM 1598 O HIS A 108 -4.008 10.782 3.086 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.920 10.491 5.821 1.00 0.00 C ATOM 1600 CG HIS A 108 -3.262 10.512 6.485 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -4.040 11.647 6.574 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -3.965 9.527 7.092 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -5.162 11.360 7.209 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -5.142 10.080 7.534 1.00 0.00 N ATOM 0 H HIS A 108 -3.063 12.651 4.139 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.029 10.575 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.493 9.493 5.916 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.253 11.174 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.658 8.498 7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.960 12.054 7.426 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -5.880 9.583 8.032 1.00 0.00 H new ATOM 1613 N ASP A 109 -3.080 8.824 3.692 1.00 0.00 N ATOM 1614 CA ASP A 109 -4.119 8.013 3.068 1.00 0.00 C ATOM 1615 C ASP A 109 -3.981 6.548 3.471 1.00 0.00 C ATOM 1616 O ASP A 109 -2.971 6.147 4.049 1.00 0.00 O ATOM 1617 CB ASP A 109 -4.054 8.145 1.546 1.00 0.00 C ATOM 1618 CG ASP A 109 -2.879 7.394 0.950 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -2.785 6.168 1.168 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -2.053 8.033 0.265 1.00 0.00 O ATOM 0 H ASP A 109 -2.345 8.287 4.153 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.086 8.377 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.980 7.769 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.981 9.199 1.278 1.00 0.00 H new ATOM 1625 N GLU A 110 -5.002 5.756 3.162 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.994 4.336 3.494 1.00 0.00 C ATOM 1627 C GLU A 110 -5.962 3.563 2.603 1.00 0.00 C ATOM 1628 O GLU A 110 -6.953 4.112 2.122 1.00 0.00 O ATOM 1629 CB GLU A 110 -5.364 4.131 4.965 1.00 0.00 C ATOM 1630 CG GLU A 110 -5.647 2.683 5.326 1.00 0.00 C ATOM 1631 CD GLU A 110 -7.089 2.289 5.072 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -7.957 3.187 5.063 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -7.350 1.083 4.882 1.00 0.00 O ATOM 0 H GLU A 110 -5.845 6.073 2.683 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.987 3.955 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.551 4.500 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.243 4.733 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.990 2.033 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.410 2.522 6.378 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.666 2.285 2.387 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.510 1.436 1.556 1.00 0.00 C ATOM 1642 C ALA A 111 -6.585 0.019 2.115 1.00 0.00 C ATOM 1643 O ALA A 111 -5.835 -0.341 3.023 1.00 0.00 O ATOM 1644 CB ALA A 111 -5.990 1.414 0.126 1.00 0.00 C ATOM 0 H ALA A 111 -4.848 1.816 2.776 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.517 1.853 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.630 0.776 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.995 2.426 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.972 1.024 0.115 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.494 -0.781 1.569 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.667 -2.159 2.014 1.00 0.00 C ATOM 1652 C VAL A 112 -7.980 -3.080 0.840 1.00 0.00 C ATOM 1653 O VAL A 112 -8.716 -2.709 -0.075 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.793 -2.275 3.058 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.883 -3.697 3.590 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -8.572 -1.285 4.192 1.00 0.00 C ATOM 0 H VAL A 112 -8.123 -0.499 0.817 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.726 -2.465 2.471 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.740 -2.033 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.684 -3.760 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.092 -4.381 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.937 -3.971 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.377 -1.381 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.618 -1.493 4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.563 -0.271 3.793 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.417 -4.283 0.873 1.00 0.00 N ATOM 1667 CA LEU A 113 -7.636 -5.259 -0.189 1.00 0.00 C ATOM 1668 C LEU A 113 -7.877 -6.649 0.392 1.00 0.00 C ATOM 1669 O LEU A 113 -7.233 -7.048 1.362 1.00 0.00 O ATOM 1670 CB LEU A 113 -6.435 -5.291 -1.136 1.00 0.00 C ATOM 1671 CG LEU A 113 -6.609 -6.112 -2.414 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -5.575 -5.708 -3.453 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -6.509 -7.600 -2.109 1.00 0.00 C ATOM 0 H LEU A 113 -6.806 -4.606 1.623 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.523 -4.959 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.192 -4.266 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.577 -5.684 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.600 -5.910 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.714 -6.303 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.694 -4.651 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.574 -5.880 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.635 -8.169 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.532 -7.818 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.288 -7.879 -1.400 1.00 0.00 H new ATOM 1685 N PHE A 114 -8.807 -7.383 -0.210 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.132 -8.729 0.246 1.00 0.00 C ATOM 1687 C PHE A 114 -8.739 -9.768 -0.801 1.00 0.00 C ATOM 1688 O PHE A 114 -9.122 -9.666 -1.967 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.627 -8.839 0.553 1.00 0.00 C ATOM 1690 CG PHE A 114 -10.973 -8.496 1.974 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -10.965 -7.179 2.404 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.307 -9.490 2.879 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -11.283 -6.859 3.711 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.627 -9.177 4.187 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.614 -7.860 4.603 1.00 0.00 C ATOM 0 H PHE A 114 -9.349 -7.068 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.565 -8.924 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.177 -8.178 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.960 -9.855 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.707 -6.393 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.318 -10.521 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.273 -5.828 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.887 -9.961 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.862 -7.613 5.625 1.00 0.00 H new ATOM 1705 N VAL A 115 -7.972 -10.767 -0.376 1.00 0.00 N ATOM 1706 CA VAL A 115 -7.527 -11.825 -1.275 1.00 0.00 C ATOM 1707 C VAL A 115 -8.194 -13.152 -0.934 1.00 0.00 C ATOM 1708 O VAL A 115 -8.320 -13.512 0.236 1.00 0.00 O ATOM 1709 CB VAL A 115 -5.998 -12.002 -1.220 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -5.566 -13.183 -2.075 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.298 -10.727 -1.664 1.00 0.00 C ATOM 0 H VAL A 115 -7.646 -10.866 0.585 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.814 -11.526 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.710 -12.207 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.483 -13.292 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.040 -14.092 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.865 -13.012 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.218 -10.870 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.590 -10.489 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.583 -9.907 -1.005 1.00 0.00 H new ATOM 1721 N GLN A 116 -8.619 -13.877 -1.965 1.00 0.00 N ATOM 1722 CA GLN A 116 -9.274 -15.165 -1.773 1.00 0.00 C ATOM 1723 C GLN A 116 -8.516 -16.273 -2.498 1.00 0.00 C ATOM 1724 O GLN A 116 -8.374 -16.246 -3.720 1.00 0.00 O ATOM 1725 CB GLN A 116 -10.718 -15.107 -2.274 1.00 0.00 C ATOM 1726 CG GLN A 116 -11.329 -16.475 -2.532 1.00 0.00 C ATOM 1727 CD GLN A 116 -12.843 -16.458 -2.471 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -13.436 -16.662 -1.411 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -13.479 -16.215 -3.611 1.00 0.00 N ATOM 0 H GLN A 116 -8.521 -13.594 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 116 -9.276 -15.388 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -11.327 -14.579 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -10.751 -14.524 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.013 -16.831 -3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.947 -17.184 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.948 -16.051 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.499 -16.192 -3.631 1.00 0.00 H new ATOM 1738 N VAL A 117 -8.031 -17.248 -1.735 1.00 0.00 N ATOM 1739 CA VAL A 117 -7.289 -18.367 -2.305 1.00 0.00 C ATOM 1740 C VAL A 117 -7.898 -19.700 -1.887 1.00 0.00 C ATOM 1741 O VAL A 117 -7.684 -20.169 -0.769 1.00 0.00 O ATOM 1742 CB VAL A 117 -5.810 -18.334 -1.877 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -5.687 -17.976 -0.404 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -5.142 -19.670 -2.167 1.00 0.00 C ATOM 0 H VAL A 117 -8.138 -17.286 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.349 -18.268 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.300 -17.565 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.635 -17.958 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.127 -16.994 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.211 -18.720 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.097 -19.629 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.653 -20.459 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.197 -19.880 -3.235 1.00 0.00 H new ATOM 1754 N SER A 118 -8.658 -20.308 -2.792 1.00 0.00 N ATOM 1755 CA SER A 118 -9.302 -21.587 -2.517 1.00 0.00 C ATOM 1756 C SER A 118 -8.366 -22.747 -2.842 1.00 0.00 C ATOM 1757 O SER A 118 -7.726 -22.768 -3.893 1.00 0.00 O ATOM 1758 CB SER A 118 -10.593 -21.717 -3.326 1.00 0.00 C ATOM 1759 OG SER A 118 -11.341 -22.848 -2.915 1.00 0.00 O ATOM 0 H SER A 118 -8.843 -19.935 -3.723 1.00 0.00 H new ATOM 0 HA SER A 118 -9.543 -21.623 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.194 -20.816 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.355 -21.801 -4.386 1.00 0.00 H new ATOM 0 HG SER A 118 -12.162 -22.908 -3.446 1.00 0.00 H new ATOM 1765 N GLY A 119 -8.291 -23.712 -1.931 1.00 0.00 N ATOM 1766 CA GLY A 119 -7.431 -24.863 -2.138 1.00 0.00 C ATOM 1767 C GLY A 119 -7.844 -25.686 -3.342 1.00 0.00 C ATOM 1768 O GLY A 119 -8.912 -25.486 -3.921 1.00 0.00 O ATOM 0 H GLY A 119 -8.810 -23.718 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.403 -24.526 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.450 -25.492 -1.248 1.00 0.00 H new ATOM 1772 N PRO A 120 -6.983 -26.635 -3.738 1.00 0.00 N ATOM 1773 CA PRO A 120 -7.242 -27.510 -4.886 1.00 0.00 C ATOM 1774 C PRO A 120 -8.367 -28.503 -4.616 1.00 0.00 C ATOM 1775 O PRO A 120 -9.037 -28.431 -3.586 1.00 0.00 O ATOM 1776 CB PRO A 120 -5.913 -28.245 -5.078 1.00 0.00 C ATOM 1777 CG PRO A 120 -5.270 -28.223 -3.735 1.00 0.00 C ATOM 1778 CD PRO A 120 -5.692 -26.929 -3.095 1.00 0.00 C ATOM 0 HA PRO A 120 -7.564 -26.948 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -6.072 -29.266 -5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -5.291 -27.749 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -5.588 -29.076 -3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -4.185 -28.280 -3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -5.795 -27.030 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -4.965 -26.137 -3.273 1.00 0.00 H new ATOM 1786 N SER A 121 -8.567 -29.431 -5.547 1.00 0.00 N ATOM 1787 CA SER A 121 -9.613 -30.437 -5.411 1.00 0.00 C ATOM 1788 C SER A 121 -9.009 -31.828 -5.240 1.00 0.00 C ATOM 1789 O SER A 121 -8.635 -32.478 -6.216 1.00 0.00 O ATOM 1790 CB SER A 121 -10.534 -30.415 -6.632 1.00 0.00 C ATOM 1791 OG SER A 121 -11.611 -31.323 -6.475 1.00 0.00 O ATOM 0 H SER A 121 -8.018 -29.507 -6.403 1.00 0.00 H new ATOM 0 HA SER A 121 -10.197 -30.201 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 121 -10.922 -29.407 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 121 -9.965 -30.672 -7.525 1.00 0.00 H new ATOM 0 HG SER A 121 -12.186 -31.289 -7.268 1.00 0.00 H new ATOM 1797 N SER A 122 -8.918 -32.278 -3.993 1.00 0.00 N ATOM 1798 CA SER A 122 -8.356 -33.590 -3.692 1.00 0.00 C ATOM 1799 C SER A 122 -9.005 -34.669 -4.554 1.00 0.00 C ATOM 1800 O SER A 122 -10.025 -34.433 -5.200 1.00 0.00 O ATOM 1801 CB SER A 122 -8.545 -33.922 -2.211 1.00 0.00 C ATOM 1802 OG SER A 122 -7.947 -32.937 -1.387 1.00 0.00 O ATOM 0 H SER A 122 -9.226 -31.754 -3.174 1.00 0.00 H new ATOM 0 HA SER A 122 -7.290 -33.562 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.609 -33.993 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.107 -34.896 -1.995 1.00 0.00 H new ATOM 0 HG SER A 122 -8.083 -33.172 -0.445 1.00 0.00 H new ATOM 1808 N GLY A 123 -8.404 -35.855 -4.558 1.00 0.00 N ATOM 1809 CA GLY A 123 -8.936 -36.953 -5.344 1.00 0.00 C ATOM 1810 C GLY A 123 -8.587 -36.837 -6.814 1.00 0.00 C ATOM 1811 O GLY A 123 -8.825 -37.762 -7.590 1.00 0.00 O ATOM 0 H GLY A 123 -7.559 -36.075 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.549 -37.895 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.020 -36.984 -5.233 1.00 0.00 H new TER 1815 GLY A 123