USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot -65:sc= 1.63 USER MOD Set 1.2: A 96 TYR OH : rot 12:sc= 0.231 USER MOD Set 2.1: A 62 TYR OH : rot 165:sc= 0.689 USER MOD Set 2.2: A 86 ASN : amide:sc= 1.19 K(o=1.9,f=-4.4!) USER MOD Set 3.1: A 45 TYR OH : rot -177:sc= 1.56 USER MOD Set 3.2: A 69 LYS NZ :NH3+ -137:sc= 0.795! (180deg=-0.084) USER MOD Set 4.1: A 38 ASN : amide:sc= 0.205 K(o=0.42,f=-0.09) USER MOD Set 4.2: A 40 THR OG1 : rot -110:sc= 0.214 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.932 K(o=-0.93,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0925 (180deg=-0.504) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.032) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -171:sc= 0.674 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.48) USER MOD Single : A 82 ASN : amide:sc= 0.978 K(o=0.98,f=-6.8!) USER MOD Single : A 84 THR OG1 : rot 29:sc= 0.0728 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 165:sc= 0.855 USER MOD Single : A 98 TYR OH : rot -130:sc= -0.335 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -6:sc= 0.703 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-0.22) USER MOD Single : A 131 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.21) USER MOD Single : A 132 HIS : no HD1:sc= -0.0953 X(o=-0.095,f=-0.099) USER MOD Single : A 133 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.064) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -28.464 1.040 -3.956 1.00 51.13 N ATOM 2 CA MET A 34 -28.530 2.141 -4.963 1.00 65.00 C ATOM 3 C MET A 34 -27.144 2.759 -5.206 1.00 31.11 C ATOM 4 O MET A 34 -26.985 3.643 -6.044 1.00 22.13 O ATOM 5 CB MET A 34 -29.501 3.230 -4.487 1.00 52.10 C ATOM 6 CG MET A 34 -29.013 3.990 -3.258 1.00 71.12 C ATOM 7 SD MET A 34 -28.624 2.901 -1.874 1.00 70.35 S ATOM 8 CE MET A 34 -28.029 4.084 -0.667 1.00 43.22 C ATOM 0 HA MET A 34 -28.886 1.716 -5.901 1.00 65.00 H new ATOM 0 HB2 MET A 34 -29.666 3.938 -5.299 1.00 52.10 H new ATOM 0 HB3 MET A 34 -30.464 2.773 -4.262 1.00 52.10 H new ATOM 0 HG2 MET A 34 -28.126 4.567 -3.521 1.00 71.12 H new ATOM 0 HG3 MET A 34 -29.778 4.703 -2.950 1.00 71.12 H new ATOM 0 HE1 MET A 34 -27.748 3.561 0.247 1.00 43.22 H new ATOM 0 HE2 MET A 34 -27.160 4.607 -1.067 1.00 43.22 H new ATOM 0 HE3 MET A 34 -28.816 4.805 -0.446 1.00 43.22 H new ATOM 20 N ASP A 35 -26.152 2.280 -4.467 1.00 51.55 N ATOM 21 CA ASP A 35 -24.799 2.831 -4.506 1.00 51.43 C ATOM 22 C ASP A 35 -23.866 1.992 -5.404 1.00 22.52 C ATOM 23 O ASP A 35 -23.428 0.902 -5.033 1.00 24.02 O ATOM 24 CB ASP A 35 -24.254 2.936 -3.071 1.00 14.13 C ATOM 25 CG ASP A 35 -24.492 1.669 -2.251 1.00 65.44 C ATOM 26 OD1 ASP A 35 -25.671 1.307 -2.020 1.00 71.12 O ATOM 27 OD2 ASP A 35 -23.512 1.028 -1.829 1.00 31.34 O ATOM 0 H ASP A 35 -26.260 1.497 -3.822 1.00 51.55 H new ATOM 0 HA ASP A 35 -24.838 3.827 -4.947 1.00 51.43 H new ATOM 0 HB2 ASP A 35 -23.185 3.143 -3.108 1.00 14.13 H new ATOM 0 HB3 ASP A 35 -24.725 3.781 -2.570 1.00 14.13 H new ATOM 32 N THR A 36 -23.581 2.509 -6.601 1.00 73.11 N ATOM 33 CA THR A 36 -22.705 1.828 -7.571 1.00 30.32 C ATOM 34 C THR A 36 -21.487 2.695 -7.924 1.00 2.32 C ATOM 35 O THR A 36 -21.061 2.760 -9.077 1.00 42.12 O ATOM 36 CB THR A 36 -23.473 1.486 -8.873 1.00 44.03 C ATOM 37 OG1 THR A 36 -24.004 2.683 -9.467 1.00 41.00 O ATOM 38 CG2 THR A 36 -24.610 0.507 -8.599 1.00 40.20 C ATOM 0 H THR A 36 -23.945 3.404 -6.928 1.00 73.11 H new ATOM 0 HA THR A 36 -22.365 0.906 -7.100 1.00 30.32 H new ATOM 0 HB THR A 36 -22.770 1.019 -9.562 1.00 44.03 H new ATOM 0 HG1 THR A 36 -24.485 2.454 -10.289 1.00 41.00 H new ATOM 0 HG21 THR A 36 -25.131 0.285 -9.530 1.00 40.20 H new ATOM 0 HG22 THR A 36 -24.204 -0.415 -8.182 1.00 40.20 H new ATOM 0 HG23 THR A 36 -25.308 0.950 -7.889 1.00 40.20 H new ATOM 46 N ASN A 37 -20.902 3.324 -6.912 1.00 25.12 N ATOM 47 CA ASN A 37 -19.789 4.268 -7.105 1.00 12.44 C ATOM 48 C ASN A 37 -18.429 3.568 -7.327 1.00 25.13 C ATOM 49 O ASN A 37 -17.405 4.033 -6.825 1.00 14.33 O ATOM 50 CB ASN A 37 -19.701 5.197 -5.888 1.00 73.25 C ATOM 51 CG ASN A 37 -20.906 6.117 -5.755 1.00 43.50 C ATOM 52 OD1 ASN A 37 -21.329 6.446 -4.653 1.00 41.41 O ATOM 53 ND2 ASN A 37 -21.460 6.557 -6.868 1.00 74.32 N ATOM 0 H ASN A 37 -21.177 3.201 -5.938 1.00 25.12 H new ATOM 0 HA ASN A 37 -19.999 4.835 -8.012 1.00 12.44 H new ATOM 0 HB2 ASN A 37 -19.609 4.595 -4.984 1.00 73.25 H new ATOM 0 HB3 ASN A 37 -18.796 5.800 -5.963 1.00 73.25 H new ATOM 0 HD21 ASN A 37 -22.261 7.187 -6.825 1.00 74.32 H new ATOM 0 HD22 ASN A 37 -21.088 6.267 -7.772 1.00 74.32 H new ATOM 60 N ASN A 38 -18.422 2.478 -8.106 1.00 12.52 N ATOM 61 CA ASN A 38 -17.196 1.710 -8.395 1.00 32.22 C ATOM 62 C ASN A 38 -16.297 1.573 -7.151 1.00 64.11 C ATOM 63 O ASN A 38 -15.234 2.193 -7.050 1.00 11.24 O ATOM 64 CB ASN A 38 -16.424 2.344 -9.565 1.00 3.24 C ATOM 65 CG ASN A 38 -15.264 1.478 -10.029 1.00 21.23 C ATOM 66 OD1 ASN A 38 -14.130 1.641 -9.592 1.00 22.21 O ATOM 67 ND2 ASN A 38 -15.542 0.539 -10.909 1.00 51.04 N ATOM 0 H ASN A 38 -19.259 2.103 -8.553 1.00 12.52 H new ATOM 0 HA ASN A 38 -17.499 0.704 -8.684 1.00 32.22 H new ATOM 0 HB2 ASN A 38 -17.106 2.511 -10.399 1.00 3.24 H new ATOM 0 HB3 ASN A 38 -16.047 3.320 -9.261 1.00 3.24 H new ATOM 0 HD21 ASN A 38 -14.804 -0.078 -11.246 1.00 51.04 H new ATOM 0 HD22 ASN A 38 -16.496 0.429 -11.253 1.00 51.04 H new ATOM 74 N PHE A 39 -16.763 0.785 -6.189 1.00 73.35 N ATOM 75 CA PHE A 39 -16.040 0.571 -4.933 1.00 60.35 C ATOM 76 C PHE A 39 -14.701 -0.159 -5.151 1.00 73.24 C ATOM 77 O PHE A 39 -14.640 -1.391 -5.164 1.00 11.44 O ATOM 78 CB PHE A 39 -16.924 -0.203 -3.943 1.00 73.33 C ATOM 79 CG PHE A 39 -18.150 0.563 -3.503 1.00 5.14 C ATOM 80 CD1 PHE A 39 -19.276 0.630 -4.313 1.00 12.14 C ATOM 81 CD2 PHE A 39 -18.171 1.221 -2.281 1.00 72.25 C ATOM 82 CE1 PHE A 39 -20.394 1.337 -3.912 1.00 34.21 C ATOM 83 CE2 PHE A 39 -19.287 1.927 -1.877 1.00 32.33 C ATOM 84 CZ PHE A 39 -20.400 1.985 -2.693 1.00 34.23 C ATOM 0 H PHE A 39 -17.646 0.278 -6.253 1.00 73.35 H new ATOM 0 HA PHE A 39 -15.805 1.550 -4.516 1.00 60.35 H new ATOM 0 HB2 PHE A 39 -17.237 -1.140 -4.403 1.00 73.33 H new ATOM 0 HB3 PHE A 39 -16.332 -0.461 -3.065 1.00 73.33 H new ATOM 0 HD1 PHE A 39 -19.278 0.124 -5.267 1.00 12.14 H new ATOM 0 HD2 PHE A 39 -17.304 1.180 -1.638 1.00 72.25 H new ATOM 0 HE1 PHE A 39 -21.263 1.382 -4.552 1.00 34.21 H new ATOM 0 HE2 PHE A 39 -19.290 2.434 -0.923 1.00 32.33 H new ATOM 0 HZ PHE A 39 -21.274 2.536 -2.378 1.00 34.23 H new ATOM 94 N THR A 40 -13.641 0.622 -5.357 1.00 61.11 N ATOM 95 CA THR A 40 -12.274 0.092 -5.495 1.00 1.24 C ATOM 96 C THR A 40 -11.306 0.779 -4.521 1.00 41.12 C ATOM 97 O THR A 40 -11.556 1.895 -4.057 1.00 15.24 O ATOM 98 CB THR A 40 -11.723 0.263 -6.939 1.00 72.41 C ATOM 99 OG1 THR A 40 -11.909 1.615 -7.392 1.00 74.22 O ATOM 100 CG2 THR A 40 -12.397 -0.700 -7.911 1.00 15.43 C ATOM 0 H THR A 40 -13.699 1.637 -5.434 1.00 61.11 H new ATOM 0 HA THR A 40 -12.339 -0.971 -5.263 1.00 1.24 H new ATOM 0 HB THR A 40 -10.658 0.034 -6.912 1.00 72.41 H new ATOM 0 HG1 THR A 40 -12.592 1.633 -8.095 1.00 74.22 H new ATOM 0 HG21 THR A 40 -11.988 -0.553 -8.911 1.00 15.43 H new ATOM 0 HG22 THR A 40 -12.215 -1.726 -7.591 1.00 15.43 H new ATOM 0 HG23 THR A 40 -13.470 -0.510 -7.926 1.00 15.43 H new ATOM 108 N VAL A 41 -10.205 0.098 -4.210 1.00 51.42 N ATOM 109 CA VAL A 41 -9.176 0.630 -3.305 1.00 74.24 C ATOM 110 C VAL A 41 -7.815 0.765 -4.009 1.00 41.52 C ATOM 111 O VAL A 41 -7.277 -0.204 -4.535 1.00 42.14 O ATOM 112 CB VAL A 41 -9.013 -0.275 -2.058 1.00 52.04 C ATOM 113 CG1 VAL A 41 -7.853 0.196 -1.181 1.00 75.31 C ATOM 114 CG2 VAL A 41 -10.316 -0.324 -1.261 1.00 30.40 C ATOM 0 H VAL A 41 -9.997 -0.832 -4.573 1.00 51.42 H new ATOM 0 HA VAL A 41 -9.511 1.620 -2.995 1.00 74.24 H new ATOM 0 HB VAL A 41 -8.780 -1.284 -2.399 1.00 52.04 H new ATOM 0 HG11 VAL A 41 -7.763 -0.458 -0.314 1.00 75.31 H new ATOM 0 HG12 VAL A 41 -6.927 0.166 -1.755 1.00 75.31 H new ATOM 0 HG13 VAL A 41 -8.040 1.217 -0.847 1.00 75.31 H new ATOM 0 HG21 VAL A 41 -10.185 -0.964 -0.388 1.00 30.40 H new ATOM 0 HG22 VAL A 41 -10.582 0.682 -0.937 1.00 30.40 H new ATOM 0 HG23 VAL A 41 -11.112 -0.725 -1.889 1.00 30.40 H new ATOM 124 N LYS A 42 -7.257 1.968 -3.993 1.00 3.14 N ATOM 125 CA LYS A 42 -5.972 2.243 -4.650 1.00 13.44 C ATOM 126 C LYS A 42 -4.802 2.098 -3.658 1.00 15.40 C ATOM 127 O LYS A 42 -4.798 2.708 -2.594 1.00 10.12 O ATOM 128 CB LYS A 42 -6.019 3.654 -5.261 1.00 10.23 C ATOM 129 CG LYS A 42 -4.801 4.038 -6.106 1.00 41.24 C ATOM 130 CD LYS A 42 -3.759 4.823 -5.315 1.00 52.34 C ATOM 131 CE LYS A 42 -2.641 5.326 -6.219 1.00 21.20 C ATOM 132 NZ LYS A 42 -3.152 6.203 -7.305 1.00 21.31 N ATOM 0 H LYS A 42 -7.671 2.778 -3.531 1.00 3.14 H new ATOM 0 HA LYS A 42 -5.805 1.515 -5.444 1.00 13.44 H new ATOM 0 HB2 LYS A 42 -6.912 3.735 -5.881 1.00 10.23 H new ATOM 0 HB3 LYS A 42 -6.125 4.379 -4.454 1.00 10.23 H new ATOM 0 HG2 LYS A 42 -4.342 3.134 -6.506 1.00 41.24 H new ATOM 0 HG3 LYS A 42 -5.128 4.633 -6.958 1.00 41.24 H new ATOM 0 HD2 LYS A 42 -4.237 5.668 -4.819 1.00 52.34 H new ATOM 0 HD3 LYS A 42 -3.340 4.190 -4.533 1.00 52.34 H new ATOM 0 HE2 LYS A 42 -1.913 5.875 -5.623 1.00 21.20 H new ATOM 0 HE3 LYS A 42 -2.118 4.475 -6.656 1.00 21.20 H new ATOM 0 HZ1 LYS A 42 -2.374 6.783 -7.678 1.00 21.31 H new ATOM 0 HZ2 LYS A 42 -3.543 5.617 -8.070 1.00 21.31 H new ATOM 0 HZ3 LYS A 42 -3.897 6.823 -6.929 1.00 21.31 H new ATOM 146 N VAL A 43 -3.815 1.280 -4.014 1.00 24.00 N ATOM 147 CA VAL A 43 -2.677 0.991 -3.128 1.00 24.52 C ATOM 148 C VAL A 43 -1.394 1.708 -3.591 1.00 62.31 C ATOM 149 O VAL A 43 -0.996 1.597 -4.750 1.00 23.13 O ATOM 150 CB VAL A 43 -2.407 -0.536 -3.056 1.00 3.33 C ATOM 151 CG1 VAL A 43 -1.321 -0.856 -2.034 1.00 0.41 C ATOM 152 CG2 VAL A 43 -3.692 -1.300 -2.736 1.00 23.15 C ATOM 0 H VAL A 43 -3.775 0.801 -4.913 1.00 24.00 H new ATOM 0 HA VAL A 43 -2.946 1.363 -2.139 1.00 24.52 H new ATOM 0 HB VAL A 43 -2.052 -0.858 -4.035 1.00 3.33 H new ATOM 0 HG11 VAL A 43 -1.154 -1.933 -2.006 1.00 0.41 H new ATOM 0 HG12 VAL A 43 -0.396 -0.352 -2.316 1.00 0.41 H new ATOM 0 HG13 VAL A 43 -1.636 -0.512 -1.049 1.00 0.41 H new ATOM 0 HG21 VAL A 43 -3.479 -2.368 -2.691 1.00 23.15 H new ATOM 0 HG22 VAL A 43 -4.084 -0.967 -1.775 1.00 23.15 H new ATOM 0 HG23 VAL A 43 -4.431 -1.111 -3.514 1.00 23.15 H new ATOM 162 N GLU A 44 -0.750 2.435 -2.677 1.00 55.33 N ATOM 163 CA GLU A 44 0.500 3.150 -2.978 1.00 15.50 C ATOM 164 C GLU A 44 1.690 2.551 -2.213 1.00 71.22 C ATOM 165 O GLU A 44 1.538 2.040 -1.103 1.00 20.52 O ATOM 166 CB GLU A 44 0.369 4.638 -2.616 1.00 4.21 C ATOM 167 CG GLU A 44 -0.733 5.374 -3.371 1.00 0.53 C ATOM 168 CD GLU A 44 -0.772 6.864 -3.053 1.00 31.32 C ATOM 169 OE1 GLU A 44 -1.432 7.255 -2.069 1.00 53.50 O ATOM 170 OE2 GLU A 44 -0.138 7.650 -3.786 1.00 64.43 O ATOM 0 H GLU A 44 -1.072 2.547 -1.716 1.00 55.33 H new ATOM 0 HA GLU A 44 0.683 3.045 -4.047 1.00 15.50 H new ATOM 0 HB2 GLU A 44 0.180 4.724 -1.546 1.00 4.21 H new ATOM 0 HB3 GLU A 44 1.320 5.133 -2.812 1.00 4.21 H new ATOM 0 HG2 GLU A 44 -0.585 5.239 -4.443 1.00 0.53 H new ATOM 0 HG3 GLU A 44 -1.697 4.929 -3.124 1.00 0.53 H new ATOM 177 N TYR A 45 2.879 2.631 -2.808 1.00 53.34 N ATOM 178 CA TYR A 45 4.116 2.171 -2.162 1.00 13.11 C ATOM 179 C TYR A 45 5.115 3.324 -2.095 1.00 70.32 C ATOM 180 O TYR A 45 5.777 3.640 -3.085 1.00 5.34 O ATOM 181 CB TYR A 45 4.725 0.994 -2.933 1.00 51.23 C ATOM 182 CG TYR A 45 3.807 -0.208 -3.034 1.00 41.41 C ATOM 183 CD1 TYR A 45 2.883 -0.316 -4.067 1.00 31.23 C ATOM 184 CD2 TYR A 45 3.867 -1.235 -2.097 1.00 54.41 C ATOM 185 CE1 TYR A 45 2.051 -1.412 -4.165 1.00 1.40 C ATOM 186 CE2 TYR A 45 3.036 -2.334 -2.189 1.00 30.44 C ATOM 187 CZ TYR A 45 2.129 -2.417 -3.225 1.00 5.03 C ATOM 188 OH TYR A 45 1.312 -3.516 -3.333 1.00 33.52 O ATOM 0 H TYR A 45 3.016 3.013 -3.744 1.00 53.34 H new ATOM 0 HA TYR A 45 3.881 1.834 -1.153 1.00 13.11 H new ATOM 0 HB2 TYR A 45 4.987 1.326 -3.938 1.00 51.23 H new ATOM 0 HB3 TYR A 45 5.652 0.692 -2.445 1.00 51.23 H new ATOM 0 HD1 TYR A 45 2.815 0.470 -4.804 1.00 31.23 H new ATOM 0 HD2 TYR A 45 4.575 -1.171 -1.284 1.00 54.41 H new ATOM 0 HE1 TYR A 45 1.341 -1.482 -4.976 1.00 1.40 H new ATOM 0 HE2 TYR A 45 3.096 -3.124 -1.455 1.00 30.44 H new ATOM 0 HH TYR A 45 1.458 -4.109 -2.567 1.00 33.52 H new ATOM 198 N VAL A 46 5.213 3.963 -0.935 1.00 63.32 N ATOM 199 CA VAL A 46 5.950 5.222 -0.823 1.00 63.11 C ATOM 200 C VAL A 46 7.112 5.171 0.184 1.00 41.44 C ATOM 201 O VAL A 46 7.090 4.416 1.156 1.00 65.51 O ATOM 202 CB VAL A 46 4.987 6.372 -0.435 1.00 12.12 C ATOM 203 CG1 VAL A 46 3.886 6.546 -1.486 1.00 70.15 C ATOM 204 CG2 VAL A 46 4.380 6.123 0.943 1.00 50.44 C ATOM 0 H VAL A 46 4.796 3.636 -0.064 1.00 63.32 H new ATOM 0 HA VAL A 46 6.388 5.401 -1.805 1.00 63.11 H new ATOM 0 HB VAL A 46 5.564 7.296 -0.396 1.00 12.12 H new ATOM 0 HG11 VAL A 46 3.224 7.360 -1.189 1.00 70.15 H new ATOM 0 HG12 VAL A 46 4.337 6.779 -2.450 1.00 70.15 H new ATOM 0 HG13 VAL A 46 3.312 5.623 -1.568 1.00 70.15 H new ATOM 0 HG21 VAL A 46 3.707 6.942 1.197 1.00 50.44 H new ATOM 0 HG22 VAL A 46 3.824 5.186 0.932 1.00 50.44 H new ATOM 0 HG23 VAL A 46 5.176 6.064 1.686 1.00 50.44 H new ATOM 214 N ASP A 47 8.131 5.990 -0.078 1.00 51.51 N ATOM 215 CA ASP A 47 9.233 6.213 0.864 1.00 2.44 C ATOM 216 C ASP A 47 8.681 6.890 2.145 1.00 63.24 C ATOM 217 O ASP A 47 7.530 7.336 2.168 1.00 63.03 O ATOM 218 CB ASP A 47 10.307 7.082 0.165 1.00 13.13 C ATOM 219 CG ASP A 47 11.593 7.291 0.959 1.00 54.45 C ATOM 220 OD1 ASP A 47 11.556 7.975 1.997 1.00 42.44 O ATOM 221 OD2 ASP A 47 12.658 6.807 0.521 1.00 30.04 O ATOM 0 H ASP A 47 8.218 6.517 -0.947 1.00 51.51 H new ATOM 0 HA ASP A 47 9.694 5.271 1.162 1.00 2.44 H new ATOM 0 HB2 ASP A 47 10.560 6.620 -0.790 1.00 13.13 H new ATOM 0 HB3 ASP A 47 9.874 8.057 -0.057 1.00 13.13 H new ATOM 226 N ALA A 48 9.492 6.984 3.194 1.00 44.03 N ATOM 227 CA ALA A 48 9.036 7.497 4.498 1.00 13.14 C ATOM 228 C ALA A 48 8.446 8.927 4.442 1.00 3.05 C ATOM 229 O ALA A 48 7.857 9.393 5.420 1.00 3.34 O ATOM 230 CB ALA A 48 10.182 7.445 5.505 1.00 33.24 C ATOM 0 H ALA A 48 10.475 6.712 3.174 1.00 44.03 H new ATOM 0 HA ALA A 48 8.220 6.846 4.812 1.00 13.14 H new ATOM 0 HB1 ALA A 48 9.839 7.826 6.467 1.00 33.24 H new ATOM 0 HB2 ALA A 48 10.518 6.415 5.621 1.00 33.24 H new ATOM 0 HB3 ALA A 48 11.009 8.058 5.147 1.00 33.24 H new ATOM 236 N ASP A 49 8.593 9.617 3.307 1.00 44.23 N ATOM 237 CA ASP A 49 8.078 10.989 3.156 1.00 4.30 C ATOM 238 C ASP A 49 6.794 11.046 2.314 1.00 73.45 C ATOM 239 O ASP A 49 6.312 12.129 1.967 1.00 41.10 O ATOM 240 CB ASP A 49 9.148 11.895 2.541 1.00 53.31 C ATOM 241 CG ASP A 49 10.231 12.246 3.539 1.00 31.11 C ATOM 242 OD1 ASP A 49 9.961 13.081 4.431 1.00 75.50 O ATOM 243 OD2 ASP A 49 11.345 11.690 3.451 1.00 50.32 O ATOM 0 H ASP A 49 9.063 9.252 2.478 1.00 44.23 H new ATOM 0 HA ASP A 49 7.827 11.346 4.155 1.00 4.30 H new ATOM 0 HB2 ASP A 49 9.595 11.397 1.680 1.00 53.31 H new ATOM 0 HB3 ASP A 49 8.682 12.810 2.174 1.00 53.31 H new ATOM 248 N GLY A 50 6.235 9.884 2.001 1.00 24.34 N ATOM 249 CA GLY A 50 4.995 9.828 1.234 1.00 24.05 C ATOM 250 C GLY A 50 5.198 9.942 -0.275 1.00 12.41 C ATOM 251 O GLY A 50 4.233 10.055 -1.033 1.00 1.23 O ATOM 0 H GLY A 50 6.615 8.975 2.263 1.00 24.34 H new ATOM 0 HA2 GLY A 50 4.486 8.890 1.453 1.00 24.05 H new ATOM 0 HA3 GLY A 50 4.338 10.632 1.565 1.00 24.05 H new ATOM 255 N ALA A 51 6.454 9.911 -0.711 1.00 13.23 N ATOM 256 CA ALA A 51 6.787 9.936 -2.142 1.00 70.43 C ATOM 257 C ALA A 51 6.941 8.504 -2.670 1.00 63.42 C ATOM 258 O ALA A 51 7.851 7.782 -2.255 1.00 32.35 O ATOM 259 CB ALA A 51 8.067 10.737 -2.373 1.00 30.24 C ATOM 0 H ALA A 51 7.266 9.868 -0.095 1.00 13.23 H new ATOM 0 HA ALA A 51 5.977 10.421 -2.687 1.00 70.43 H new ATOM 0 HB1 ALA A 51 8.302 10.748 -3.437 1.00 30.24 H new ATOM 0 HB2 ALA A 51 7.925 11.759 -2.023 1.00 30.24 H new ATOM 0 HB3 ALA A 51 8.888 10.276 -1.824 1.00 30.24 H new ATOM 265 N GLU A 52 6.048 8.083 -3.566 1.00 15.05 N ATOM 266 CA GLU A 52 6.029 6.690 -4.023 1.00 1.03 C ATOM 267 C GLU A 52 7.323 6.294 -4.738 1.00 43.45 C ATOM 268 O GLU A 52 7.918 7.066 -5.493 1.00 24.43 O ATOM 269 CB GLU A 52 4.813 6.412 -4.912 1.00 62.42 C ATOM 270 CG GLU A 52 4.886 7.106 -6.248 1.00 33.12 C ATOM 271 CD GLU A 52 3.651 6.898 -7.105 1.00 72.12 C ATOM 272 OE1 GLU A 52 2.602 7.500 -6.793 1.00 70.24 O ATOM 273 OE2 GLU A 52 3.725 6.149 -8.103 1.00 73.10 O ATOM 0 H GLU A 52 5.335 8.678 -3.987 1.00 15.05 H new ATOM 0 HA GLU A 52 5.951 6.071 -3.129 1.00 1.03 H new ATOM 0 HB2 GLU A 52 4.725 5.337 -5.072 1.00 62.42 H new ATOM 0 HB3 GLU A 52 3.910 6.732 -4.392 1.00 62.42 H new ATOM 0 HG2 GLU A 52 5.031 8.174 -6.086 1.00 33.12 H new ATOM 0 HG3 GLU A 52 5.760 6.744 -6.790 1.00 33.12 H new ATOM 280 N ILE A 53 7.746 5.076 -4.474 1.00 20.01 N ATOM 281 CA ILE A 53 8.992 4.530 -4.999 1.00 0.32 C ATOM 282 C ILE A 53 8.721 3.346 -5.929 1.00 63.02 C ATOM 283 O ILE A 53 9.642 2.735 -6.471 1.00 70.44 O ATOM 284 CB ILE A 53 9.871 4.054 -3.824 1.00 55.34 C ATOM 285 CG1 ILE A 53 9.070 3.057 -2.966 1.00 20.41 C ATOM 286 CG2 ILE A 53 10.338 5.248 -2.992 1.00 23.10 C ATOM 287 CD1 ILE A 53 9.794 2.572 -1.737 1.00 2.50 C ATOM 0 H ILE A 53 7.232 4.424 -3.882 1.00 20.01 H new ATOM 0 HA ILE A 53 9.501 5.310 -5.565 1.00 0.32 H new ATOM 0 HB ILE A 53 10.759 3.553 -4.209 1.00 55.34 H new ATOM 0 HG12 ILE A 53 8.136 3.528 -2.660 1.00 20.41 H new ATOM 0 HG13 ILE A 53 8.807 2.197 -3.581 1.00 20.41 H new ATOM 0 HG21 ILE A 53 10.957 4.896 -2.167 1.00 23.10 H new ATOM 0 HG22 ILE A 53 10.919 5.924 -3.619 1.00 23.10 H new ATOM 0 HG23 ILE A 53 9.471 5.777 -2.596 1.00 23.10 H new ATOM 0 HD11 ILE A 53 9.158 1.875 -1.192 1.00 2.50 H new ATOM 0 HD12 ILE A 53 10.715 2.069 -2.032 1.00 2.50 H new ATOM 0 HD13 ILE A 53 10.033 3.421 -1.097 1.00 2.50 H new ATOM 299 N ALA A 54 7.442 3.040 -6.122 1.00 14.43 N ATOM 300 CA ALA A 54 7.036 1.843 -6.856 1.00 15.22 C ATOM 301 C ALA A 54 5.629 2.008 -7.445 1.00 51.52 C ATOM 302 O ALA A 54 4.838 2.813 -6.948 1.00 14.31 O ATOM 303 CB ALA A 54 7.099 0.624 -5.935 1.00 45.21 C ATOM 0 H ALA A 54 6.665 3.606 -5.780 1.00 14.43 H new ATOM 0 HA ALA A 54 7.726 1.694 -7.687 1.00 15.22 H new ATOM 0 HB1 ALA A 54 6.795 -0.265 -6.487 1.00 45.21 H new ATOM 0 HB2 ALA A 54 8.118 0.495 -5.571 1.00 45.21 H new ATOM 0 HB3 ALA A 54 6.428 0.772 -5.089 1.00 45.21 H new ATOM 309 N PRO A 55 5.302 1.258 -8.521 1.00 15.23 N ATOM 310 CA PRO A 55 3.968 1.299 -9.148 1.00 63.43 C ATOM 311 C PRO A 55 2.815 1.112 -8.150 1.00 72.11 C ATOM 312 O PRO A 55 2.936 0.381 -7.164 1.00 33.23 O ATOM 313 CB PRO A 55 4.007 0.132 -10.136 1.00 70.40 C ATOM 314 CG PRO A 55 5.449 -0.009 -10.486 1.00 23.23 C ATOM 315 CD PRO A 55 6.211 0.332 -9.233 1.00 25.24 C ATOM 0 HA PRO A 55 3.777 2.270 -9.604 1.00 63.43 H new ATOM 0 HB2 PRO A 55 3.616 -0.781 -9.688 1.00 70.40 H new ATOM 0 HB3 PRO A 55 3.402 0.338 -11.019 1.00 70.40 H new ATOM 0 HG2 PRO A 55 5.674 -1.023 -10.816 1.00 23.23 H new ATOM 0 HG3 PRO A 55 5.720 0.660 -11.303 1.00 23.23 H new ATOM 0 HD2 PRO A 55 6.426 -0.556 -8.639 1.00 25.24 H new ATOM 0 HD3 PRO A 55 7.168 0.803 -9.460 1.00 25.24 H new ATOM 323 N SER A 56 1.696 1.774 -8.419 1.00 4.44 N ATOM 324 CA SER A 56 0.525 1.707 -7.541 1.00 54.23 C ATOM 325 C SER A 56 -0.505 0.679 -8.036 1.00 61.53 C ATOM 326 O SER A 56 -0.736 0.538 -9.242 1.00 23.21 O ATOM 327 CB SER A 56 -0.119 3.093 -7.428 1.00 61.44 C ATOM 328 OG SER A 56 -0.424 3.638 -8.706 1.00 25.30 O ATOM 0 H SER A 56 1.571 2.366 -9.240 1.00 4.44 H new ATOM 0 HA SER A 56 0.863 1.380 -6.557 1.00 54.23 H new ATOM 0 HB2 SER A 56 -1.031 3.023 -6.835 1.00 61.44 H new ATOM 0 HB3 SER A 56 0.555 3.765 -6.897 1.00 61.44 H new ATOM 0 HG SER A 56 -0.835 4.521 -8.596 1.00 25.30 H new ATOM 334 N ASP A 57 -1.114 -0.040 -7.096 1.00 4.42 N ATOM 335 CA ASP A 57 -2.122 -1.066 -7.405 1.00 53.03 C ATOM 336 C ASP A 57 -3.553 -0.528 -7.248 1.00 10.12 C ATOM 337 O ASP A 57 -3.771 0.543 -6.683 1.00 3.51 O ATOM 338 CB ASP A 57 -1.934 -2.278 -6.482 1.00 23.35 C ATOM 339 CG ASP A 57 -0.651 -3.050 -6.755 1.00 22.13 C ATOM 340 OD1 ASP A 57 0.431 -2.431 -6.791 1.00 50.11 O ATOM 341 OD2 ASP A 57 -0.713 -4.290 -6.908 1.00 31.31 O ATOM 0 H ASP A 57 -0.927 0.067 -6.099 1.00 4.42 H new ATOM 0 HA ASP A 57 -1.981 -1.360 -8.445 1.00 53.03 H new ATOM 0 HB2 ASP A 57 -1.933 -1.940 -5.446 1.00 23.35 H new ATOM 0 HB3 ASP A 57 -2.785 -2.949 -6.597 1.00 23.35 H new ATOM 346 N THR A 58 -4.523 -1.282 -7.762 1.00 72.53 N ATOM 347 CA THR A 58 -5.946 -0.951 -7.593 1.00 51.15 C ATOM 348 C THR A 58 -6.768 -2.219 -7.323 1.00 74.11 C ATOM 349 O THR A 58 -7.020 -3.013 -8.229 1.00 34.22 O ATOM 350 CB THR A 58 -6.525 -0.231 -8.838 1.00 74.42 C ATOM 351 OG1 THR A 58 -5.774 0.962 -9.119 1.00 24.51 O ATOM 352 CG2 THR A 58 -7.994 0.133 -8.634 1.00 24.44 C ATOM 0 H THR A 58 -4.353 -2.131 -8.302 1.00 72.53 H new ATOM 0 HA THR A 58 -6.013 -0.276 -6.740 1.00 51.15 H new ATOM 0 HB THR A 58 -6.450 -0.918 -9.681 1.00 74.42 H new ATOM 0 HG1 THR A 58 -6.149 1.406 -9.908 1.00 24.51 H new ATOM 0 HG21 THR A 58 -8.371 0.636 -9.524 1.00 24.44 H new ATOM 0 HG22 THR A 58 -8.572 -0.774 -8.458 1.00 24.44 H new ATOM 0 HG23 THR A 58 -8.088 0.797 -7.774 1.00 24.44 H new ATOM 360 N LEU A 59 -7.169 -2.409 -6.069 1.00 41.42 N ATOM 361 CA LEU A 59 -7.938 -3.589 -5.660 1.00 22.01 C ATOM 362 C LEU A 59 -9.445 -3.413 -5.913 1.00 13.11 C ATOM 363 O LEU A 59 -10.074 -2.492 -5.394 1.00 45.32 O ATOM 364 CB LEU A 59 -7.686 -3.892 -4.175 1.00 31.42 C ATOM 365 CG LEU A 59 -6.230 -4.235 -3.810 1.00 53.44 C ATOM 366 CD1 LEU A 59 -6.084 -4.436 -2.302 1.00 14.20 C ATOM 367 CD2 LEU A 59 -5.764 -5.480 -4.565 1.00 50.01 C ATOM 0 H LEU A 59 -6.974 -1.757 -5.310 1.00 41.42 H new ATOM 0 HA LEU A 59 -7.599 -4.428 -6.268 1.00 22.01 H new ATOM 0 HB2 LEU A 59 -7.996 -3.028 -3.587 1.00 31.42 H new ATOM 0 HB3 LEU A 59 -8.323 -4.725 -3.878 1.00 31.42 H new ATOM 0 HG LEU A 59 -5.598 -3.397 -4.106 1.00 53.44 H new ATOM 0 HD11 LEU A 59 -5.048 -4.677 -2.066 1.00 14.20 H new ATOM 0 HD12 LEU A 59 -6.371 -3.521 -1.784 1.00 14.20 H new ATOM 0 HD13 LEU A 59 -6.729 -5.253 -1.980 1.00 14.20 H new ATOM 0 HD21 LEU A 59 -4.733 -5.706 -4.293 1.00 50.01 H new ATOM 0 HD22 LEU A 59 -6.401 -6.324 -4.303 1.00 50.01 H new ATOM 0 HD23 LEU A 59 -5.825 -5.299 -5.638 1.00 50.01 H new ATOM 379 N THR A 60 -10.015 -4.303 -6.720 1.00 30.14 N ATOM 380 CA THR A 60 -11.460 -4.286 -7.004 1.00 4.00 C ATOM 381 C THR A 60 -12.218 -5.318 -6.159 1.00 11.21 C ATOM 382 O THR A 60 -13.438 -5.235 -6.007 1.00 73.24 O ATOM 383 CB THR A 60 -11.753 -4.553 -8.501 1.00 1.40 C ATOM 384 OG1 THR A 60 -13.168 -4.519 -8.751 1.00 2.31 O ATOM 385 CG2 THR A 60 -11.192 -5.901 -8.945 1.00 1.20 C ATOM 0 H THR A 60 -9.504 -5.049 -7.193 1.00 30.14 H new ATOM 0 HA THR A 60 -11.808 -3.286 -6.744 1.00 4.00 H new ATOM 0 HB THR A 60 -11.264 -3.766 -9.075 1.00 1.40 H new ATOM 0 HG1 THR A 60 -13.336 -4.688 -9.702 1.00 2.31 H new ATOM 0 HG21 THR A 60 -11.415 -6.058 -10.000 1.00 1.20 H new ATOM 0 HG22 THR A 60 -10.112 -5.913 -8.796 1.00 1.20 H new ATOM 0 HG23 THR A 60 -11.648 -6.697 -8.356 1.00 1.20 H new ATOM 393 N ASP A 61 -11.485 -6.289 -5.618 1.00 22.32 N ATOM 394 CA ASP A 61 -12.065 -7.339 -4.774 1.00 14.12 C ATOM 395 C ASP A 61 -12.746 -6.763 -3.523 1.00 32.24 C ATOM 396 O ASP A 61 -12.211 -5.861 -2.879 1.00 33.12 O ATOM 397 CB ASP A 61 -10.965 -8.313 -4.346 1.00 23.00 C ATOM 398 CG ASP A 61 -10.347 -9.032 -5.527 1.00 73.21 C ATOM 399 OD1 ASP A 61 -9.451 -8.456 -6.177 1.00 32.41 O ATOM 400 OD2 ASP A 61 -10.759 -10.173 -5.820 1.00 13.34 O ATOM 0 H ASP A 61 -10.477 -6.373 -5.750 1.00 22.32 H new ATOM 0 HA ASP A 61 -12.825 -7.854 -5.361 1.00 14.12 H new ATOM 0 HB2 ASP A 61 -10.189 -7.769 -3.808 1.00 23.00 H new ATOM 0 HB3 ASP A 61 -11.380 -9.045 -3.653 1.00 23.00 H new ATOM 405 N TYR A 62 -13.922 -7.298 -3.178 1.00 42.41 N ATOM 406 CA TYR A 62 -14.639 -6.864 -1.974 1.00 21.54 C ATOM 407 C TYR A 62 -13.743 -6.969 -0.731 1.00 62.01 C ATOM 408 O TYR A 62 -13.694 -6.058 0.086 1.00 40.02 O ATOM 409 CB TYR A 62 -15.924 -7.678 -1.762 1.00 25.45 C ATOM 410 CG TYR A 62 -16.648 -7.323 -0.473 1.00 14.35 C ATOM 411 CD1 TYR A 62 -17.400 -6.156 -0.369 1.00 55.20 C ATOM 412 CD2 TYR A 62 -16.562 -8.145 0.647 1.00 34.25 C ATOM 413 CE1 TYR A 62 -18.042 -5.822 0.807 1.00 75.00 C ATOM 414 CE2 TYR A 62 -17.205 -7.819 1.824 1.00 24.21 C ATOM 415 CZ TYR A 62 -17.940 -6.655 1.900 1.00 74.43 C ATOM 416 OH TYR A 62 -18.575 -6.323 3.076 1.00 44.43 O ATOM 0 H TYR A 62 -14.395 -8.027 -3.711 1.00 42.41 H new ATOM 0 HA TYR A 62 -14.914 -5.820 -2.122 1.00 21.54 H new ATOM 0 HB2 TYR A 62 -16.594 -7.514 -2.606 1.00 25.45 H new ATOM 0 HB3 TYR A 62 -15.677 -8.740 -1.753 1.00 25.45 H new ATOM 0 HD1 TYR A 62 -17.483 -5.500 -1.223 1.00 55.20 H new ATOM 0 HD2 TYR A 62 -15.982 -9.054 0.594 1.00 34.25 H new ATOM 0 HE1 TYR A 62 -18.621 -4.913 0.870 1.00 75.00 H new ATOM 0 HE2 TYR A 62 -17.133 -8.472 2.681 1.00 24.21 H new ATOM 0 HH TYR A 62 -18.609 -7.108 3.662 1.00 44.43 H new ATOM 426 N HIS A 63 -13.050 -8.091 -0.578 1.00 3.51 N ATOM 427 CA HIS A 63 -12.032 -8.212 0.465 1.00 34.41 C ATOM 428 C HIS A 63 -10.693 -7.678 -0.039 1.00 53.11 C ATOM 429 O HIS A 63 -9.857 -8.436 -0.541 1.00 21.52 O ATOM 430 CB HIS A 63 -11.881 -9.663 0.938 1.00 51.12 C ATOM 431 CG HIS A 63 -12.911 -10.069 1.941 1.00 30.42 C ATOM 432 ND1 HIS A 63 -13.438 -11.338 2.011 1.00 73.43 N ATOM 433 CD2 HIS A 63 -13.494 -9.365 2.940 1.00 14.52 C ATOM 434 CE1 HIS A 63 -14.299 -11.399 3.005 1.00 51.23 C ATOM 435 NE2 HIS A 63 -14.354 -10.219 3.583 1.00 4.33 N ATOM 0 H HIS A 63 -13.170 -8.924 -1.155 1.00 3.51 H new ATOM 0 HA HIS A 63 -12.356 -7.616 1.318 1.00 34.41 H new ATOM 0 HB2 HIS A 63 -11.942 -10.327 0.076 1.00 51.12 H new ATOM 0 HB3 HIS A 63 -10.890 -9.795 1.372 1.00 51.12 H new ATOM 0 HD2 HIS A 63 -13.316 -8.328 3.184 1.00 14.52 H new ATOM 0 HE1 HIS A 63 -14.865 -12.271 3.297 1.00 51.23 H new ATOM 0 HE2 HIS A 63 -14.942 -9.978 4.381 1.00 4.33 H new ATOM 444 N TYR A 64 -10.505 -6.367 0.068 1.00 12.11 N ATOM 445 CA TYR A 64 -9.261 -5.755 -0.380 1.00 73.04 C ATOM 446 C TYR A 64 -8.126 -6.067 0.607 1.00 0.55 C ATOM 447 O TYR A 64 -7.889 -5.356 1.583 1.00 74.53 O ATOM 448 CB TYR A 64 -9.415 -4.237 -0.617 1.00 53.33 C ATOM 449 CG TYR A 64 -9.578 -3.376 0.631 1.00 63.40 C ATOM 450 CD1 TYR A 64 -10.751 -3.388 1.372 1.00 31.24 C ATOM 451 CD2 TYR A 64 -8.550 -2.537 1.056 1.00 34.04 C ATOM 452 CE1 TYR A 64 -10.900 -2.590 2.493 1.00 24.44 C ATOM 453 CE2 TYR A 64 -8.696 -1.734 2.170 1.00 33.40 C ATOM 454 CZ TYR A 64 -9.869 -1.767 2.890 1.00 24.43 C ATOM 455 OH TYR A 64 -10.019 -0.962 4.003 1.00 43.11 O ATOM 0 H TYR A 64 -11.188 -5.716 0.455 1.00 12.11 H new ATOM 0 HA TYR A 64 -9.001 -6.191 -1.345 1.00 73.04 H new ATOM 0 HB2 TYR A 64 -8.541 -3.885 -1.165 1.00 53.33 H new ATOM 0 HB3 TYR A 64 -10.280 -4.076 -1.260 1.00 53.33 H new ATOM 0 HD1 TYR A 64 -11.563 -4.032 1.068 1.00 31.24 H new ATOM 0 HD2 TYR A 64 -7.622 -2.514 0.504 1.00 34.04 H new ATOM 0 HE1 TYR A 64 -11.822 -2.612 3.055 1.00 24.44 H new ATOM 0 HE2 TYR A 64 -7.892 -1.081 2.476 1.00 33.40 H new ATOM 0 HH TYR A 64 -10.629 -1.392 4.638 1.00 43.11 H new ATOM 465 N VAL A 65 -7.467 -7.187 0.371 1.00 43.40 N ATOM 466 CA VAL A 65 -6.319 -7.590 1.169 1.00 41.22 C ATOM 467 C VAL A 65 -5.034 -7.355 0.359 1.00 63.04 C ATOM 468 O VAL A 65 -4.751 -8.071 -0.605 1.00 34.01 O ATOM 469 CB VAL A 65 -6.445 -9.082 1.588 1.00 64.01 C ATOM 470 CG1 VAL A 65 -5.249 -9.516 2.437 1.00 75.12 C ATOM 471 CG2 VAL A 65 -7.772 -9.324 2.327 1.00 74.35 C ATOM 0 H VAL A 65 -7.709 -7.840 -0.374 1.00 43.40 H new ATOM 0 HA VAL A 65 -6.281 -6.992 2.079 1.00 41.22 H new ATOM 0 HB VAL A 65 -6.445 -9.693 0.685 1.00 64.01 H new ATOM 0 HG11 VAL A 65 -5.362 -10.563 2.717 1.00 75.12 H new ATOM 0 HG12 VAL A 65 -4.331 -9.391 1.863 1.00 75.12 H new ATOM 0 HG13 VAL A 65 -5.200 -8.903 3.337 1.00 75.12 H new ATOM 0 HG21 VAL A 65 -7.843 -10.373 2.613 1.00 74.35 H new ATOM 0 HG22 VAL A 65 -7.810 -8.701 3.221 1.00 74.35 H new ATOM 0 HG23 VAL A 65 -8.605 -9.069 1.672 1.00 74.35 H new ATOM 481 N SER A 66 -4.266 -6.340 0.753 1.00 75.14 N ATOM 482 CA SER A 66 -3.095 -5.900 -0.023 1.00 22.14 C ATOM 483 C SER A 66 -1.798 -6.534 0.485 1.00 60.44 C ATOM 484 O SER A 66 -1.758 -7.125 1.564 1.00 63.15 O ATOM 485 CB SER A 66 -2.976 -4.371 0.009 1.00 12.14 C ATOM 486 OG SER A 66 -2.779 -3.891 1.330 1.00 74.10 O ATOM 0 H SER A 66 -4.429 -5.803 1.605 1.00 75.14 H new ATOM 0 HA SER A 66 -3.246 -6.231 -1.050 1.00 22.14 H new ATOM 0 HB2 SER A 66 -2.144 -4.057 -0.621 1.00 12.14 H new ATOM 0 HB3 SER A 66 -3.879 -3.926 -0.410 1.00 12.14 H new ATOM 0 HG SER A 66 -3.577 -4.077 1.868 1.00 74.10 H new ATOM 492 N THR A 67 -0.737 -6.408 -0.309 1.00 75.52 N ATOM 493 CA THR A 67 0.563 -7.002 0.025 1.00 11.21 C ATOM 494 C THR A 67 1.707 -5.990 -0.146 1.00 2.55 C ATOM 495 O THR A 67 1.749 -5.245 -1.129 1.00 24.33 O ATOM 496 CB THR A 67 0.868 -8.236 -0.862 1.00 32.10 C ATOM 497 OG1 THR A 67 0.890 -7.859 -2.248 1.00 11.23 O ATOM 498 CG2 THR A 67 -0.168 -9.335 -0.649 1.00 42.11 C ATOM 0 H THR A 67 -0.749 -5.898 -1.193 1.00 75.52 H new ATOM 0 HA THR A 67 0.499 -7.308 1.069 1.00 11.21 H new ATOM 0 HB THR A 67 1.847 -8.620 -0.574 1.00 32.10 H new ATOM 0 HG1 THR A 67 1.085 -8.646 -2.798 1.00 11.23 H new ATOM 0 HG21 THR A 67 0.071 -10.188 -1.284 1.00 42.11 H new ATOM 0 HG22 THR A 67 -0.159 -9.646 0.396 1.00 42.11 H new ATOM 0 HG23 THR A 67 -1.157 -8.957 -0.906 1.00 42.11 H new ATOM 506 N PRO A 68 2.645 -5.933 0.821 1.00 54.31 N ATOM 507 CA PRO A 68 3.851 -5.101 0.698 1.00 44.25 C ATOM 508 C PRO A 68 4.870 -5.688 -0.294 1.00 71.44 C ATOM 509 O PRO A 68 5.401 -6.780 -0.086 1.00 53.53 O ATOM 510 CB PRO A 68 4.421 -5.102 2.121 1.00 73.13 C ATOM 511 CG PRO A 68 3.955 -6.390 2.713 1.00 33.24 C ATOM 512 CD PRO A 68 2.597 -6.653 2.110 1.00 64.41 C ATOM 0 HA PRO A 68 3.627 -4.106 0.313 1.00 44.25 H new ATOM 0 HB2 PRO A 68 5.509 -5.041 2.112 1.00 73.13 H new ATOM 0 HB3 PRO A 68 4.058 -4.248 2.694 1.00 73.13 H new ATOM 0 HG2 PRO A 68 4.648 -7.199 2.483 1.00 33.24 H new ATOM 0 HG3 PRO A 68 3.894 -6.322 3.799 1.00 33.24 H new ATOM 0 HD2 PRO A 68 2.421 -7.719 1.968 1.00 64.41 H new ATOM 0 HD3 PRO A 68 1.796 -6.280 2.748 1.00 64.41 H new ATOM 520 N LYS A 69 5.145 -4.958 -1.371 1.00 23.13 N ATOM 521 CA LYS A 69 6.088 -5.421 -2.397 1.00 33.02 C ATOM 522 C LYS A 69 7.534 -5.301 -1.939 1.00 55.52 C ATOM 523 O LYS A 69 7.963 -4.283 -1.392 1.00 65.21 O ATOM 524 CB LYS A 69 5.892 -4.650 -3.708 1.00 13.22 C ATOM 525 CG LYS A 69 4.565 -4.937 -4.415 1.00 0.21 C ATOM 526 CD LYS A 69 4.415 -4.111 -5.693 1.00 13.35 C ATOM 527 CE LYS A 69 3.194 -4.528 -6.511 1.00 62.11 C ATOM 528 NZ LYS A 69 1.913 -4.361 -5.770 1.00 62.44 N ATOM 0 H LYS A 69 4.732 -4.045 -1.560 1.00 23.13 H new ATOM 0 HA LYS A 69 5.876 -6.476 -2.567 1.00 33.02 H new ATOM 0 HB2 LYS A 69 5.956 -3.582 -3.501 1.00 13.22 H new ATOM 0 HB3 LYS A 69 6.711 -4.893 -4.385 1.00 13.22 H new ATOM 0 HG2 LYS A 69 4.504 -5.998 -4.658 1.00 0.21 H new ATOM 0 HG3 LYS A 69 3.738 -4.717 -3.740 1.00 0.21 H new ATOM 0 HD2 LYS A 69 4.333 -3.056 -5.434 1.00 13.35 H new ATOM 0 HD3 LYS A 69 5.313 -4.221 -6.302 1.00 13.35 H new ATOM 0 HE2 LYS A 69 3.158 -3.937 -7.426 1.00 62.11 H new ATOM 0 HE3 LYS A 69 3.302 -5.571 -6.809 1.00 62.11 H new ATOM 0 HZ1 LYS A 69 1.309 -5.192 -5.930 1.00 62.44 H new ATOM 0 HZ2 LYS A 69 2.110 -4.267 -4.753 1.00 62.44 H new ATOM 0 HZ3 LYS A 69 1.425 -3.508 -6.109 1.00 62.44 H new ATOM 542 N ASP A 70 8.271 -6.368 -2.177 1.00 42.13 N ATOM 543 CA ASP A 70 9.675 -6.439 -1.839 1.00 10.15 C ATOM 544 C ASP A 70 10.527 -5.568 -2.784 1.00 33.11 C ATOM 545 O ASP A 70 11.164 -6.062 -3.717 1.00 44.32 O ATOM 546 CB ASP A 70 10.118 -7.899 -1.870 1.00 74.45 C ATOM 547 CG ASP A 70 9.712 -8.618 -3.147 1.00 64.42 C ATOM 548 OD1 ASP A 70 8.521 -8.963 -3.285 1.00 11.43 O ATOM 549 OD2 ASP A 70 10.581 -8.860 -4.011 1.00 52.32 O ATOM 0 H ASP A 70 7.908 -7.215 -2.614 1.00 42.13 H new ATOM 0 HA ASP A 70 9.824 -6.042 -0.835 1.00 10.15 H new ATOM 0 HB2 ASP A 70 11.202 -7.946 -1.762 1.00 74.45 H new ATOM 0 HB3 ASP A 70 9.690 -8.421 -1.014 1.00 74.45 H new ATOM 554 N ILE A 71 10.510 -4.264 -2.538 1.00 21.22 N ATOM 555 CA ILE A 71 11.235 -3.297 -3.369 1.00 13.33 C ATOM 556 C ILE A 71 12.757 -3.389 -3.143 1.00 33.52 C ATOM 557 O ILE A 71 13.233 -3.216 -2.019 1.00 44.21 O ATOM 558 CB ILE A 71 10.749 -1.858 -3.066 1.00 32.53 C ATOM 559 CG1 ILE A 71 9.223 -1.776 -3.239 1.00 14.34 C ATOM 560 CG2 ILE A 71 11.456 -0.843 -3.967 1.00 21.12 C ATOM 561 CD1 ILE A 71 8.624 -0.450 -2.827 1.00 31.01 C ATOM 0 H ILE A 71 9.998 -3.844 -1.763 1.00 21.22 H new ATOM 0 HA ILE A 71 11.029 -3.538 -4.412 1.00 13.33 H new ATOM 0 HB ILE A 71 10.998 -1.613 -2.033 1.00 32.53 H new ATOM 0 HG12 ILE A 71 8.976 -1.965 -4.284 1.00 14.34 H new ATOM 0 HG13 ILE A 71 8.759 -2.570 -2.653 1.00 14.34 H new ATOM 0 HG21 ILE A 71 11.098 0.160 -3.736 1.00 21.12 H new ATOM 0 HG22 ILE A 71 12.532 -0.893 -3.797 1.00 21.12 H new ATOM 0 HG23 ILE A 71 11.243 -1.072 -5.011 1.00 21.12 H new ATOM 0 HD11 ILE A 71 7.545 -0.475 -2.980 1.00 31.01 H new ATOM 0 HD12 ILE A 71 8.837 -0.266 -1.774 1.00 31.01 H new ATOM 0 HD13 ILE A 71 9.058 0.348 -3.430 1.00 31.01 H new ATOM 573 N PRO A 72 13.543 -3.688 -4.204 1.00 10.54 N ATOM 574 CA PRO A 72 15.011 -3.803 -4.098 1.00 41.13 C ATOM 575 C PRO A 72 15.666 -2.524 -3.547 1.00 73.43 C ATOM 576 O PRO A 72 15.699 -1.489 -4.218 1.00 20.30 O ATOM 577 CB PRO A 72 15.460 -4.069 -5.547 1.00 64.42 C ATOM 578 CG PRO A 72 14.254 -4.635 -6.216 1.00 43.53 C ATOM 579 CD PRO A 72 13.076 -3.945 -5.581 1.00 54.43 C ATOM 0 HA PRO A 72 15.306 -4.587 -3.401 1.00 41.13 H new ATOM 0 HB2 PRO A 72 15.790 -3.152 -6.035 1.00 64.42 H new ATOM 0 HB3 PRO A 72 16.297 -4.767 -5.581 1.00 64.42 H new ATOM 0 HG2 PRO A 72 14.281 -4.455 -7.291 1.00 43.53 H new ATOM 0 HG3 PRO A 72 14.198 -5.714 -6.075 1.00 43.53 H new ATOM 0 HD2 PRO A 72 12.822 -3.021 -6.100 1.00 54.43 H new ATOM 0 HD3 PRO A 72 12.185 -4.573 -5.594 1.00 54.43 H new ATOM 587 N GLY A 73 16.169 -2.602 -2.317 1.00 44.10 N ATOM 588 CA GLY A 73 16.812 -1.452 -1.687 1.00 44.42 C ATOM 589 C GLY A 73 15.914 -0.720 -0.696 1.00 22.35 C ATOM 590 O GLY A 73 16.311 0.295 -0.131 1.00 63.10 O ATOM 0 H GLY A 73 16.144 -3.443 -1.741 1.00 44.10 H new ATOM 0 HA2 GLY A 73 17.712 -1.787 -1.171 1.00 44.42 H new ATOM 0 HA3 GLY A 73 17.130 -0.754 -2.462 1.00 44.42 H new ATOM 594 N TYR A 74 14.699 -1.222 -0.488 1.00 23.45 N ATOM 595 CA TYR A 74 13.769 -0.628 0.481 1.00 1.53 C ATOM 596 C TYR A 74 13.209 -1.663 1.466 1.00 52.13 C ATOM 597 O TYR A 74 13.002 -2.830 1.129 1.00 41.00 O ATOM 598 CB TYR A 74 12.620 0.091 -0.241 1.00 0.13 C ATOM 599 CG TYR A 74 12.956 1.513 -0.642 1.00 13.11 C ATOM 600 CD1 TYR A 74 13.823 1.774 -1.693 1.00 2.51 C ATOM 601 CD2 TYR A 74 12.412 2.595 0.043 1.00 4.52 C ATOM 602 CE1 TYR A 74 14.141 3.068 -2.049 1.00 32.22 C ATOM 603 CE2 TYR A 74 12.719 3.892 -0.311 1.00 11.33 C ATOM 604 CZ TYR A 74 13.583 4.123 -1.356 1.00 13.01 C ATOM 605 OH TYR A 74 13.896 5.418 -1.705 1.00 30.14 O ATOM 0 H TYR A 74 14.331 -2.039 -0.976 1.00 23.45 H new ATOM 0 HA TYR A 74 14.339 0.098 1.061 1.00 1.53 H new ATOM 0 HB2 TYR A 74 12.350 -0.476 -1.132 1.00 0.13 H new ATOM 0 HB3 TYR A 74 11.744 0.102 0.407 1.00 0.13 H new ATOM 0 HD1 TYR A 74 14.256 0.951 -2.241 1.00 2.51 H new ATOM 0 HD2 TYR A 74 11.737 2.416 0.867 1.00 4.52 H new ATOM 0 HE1 TYR A 74 14.823 3.255 -2.865 1.00 32.22 H new ATOM 0 HE2 TYR A 74 12.284 4.720 0.228 1.00 11.33 H new ATOM 0 HH TYR A 74 13.537 6.034 -1.033 1.00 30.14 H new ATOM 615 N LYS A 75 12.973 -1.204 2.692 1.00 54.03 N ATOM 616 CA LYS A 75 12.425 -2.027 3.774 1.00 51.44 C ATOM 617 C LYS A 75 11.036 -1.525 4.186 1.00 62.11 C ATOM 618 O LYS A 75 10.834 -0.323 4.351 1.00 1.14 O ATOM 619 CB LYS A 75 13.357 -1.971 4.995 1.00 1.23 C ATOM 620 CG LYS A 75 12.845 -2.765 6.196 1.00 40.40 C ATOM 621 CD LYS A 75 13.692 -2.530 7.445 1.00 70.21 C ATOM 622 CE LYS A 75 15.129 -3.025 7.285 1.00 5.14 C ATOM 623 NZ LYS A 75 15.886 -2.924 8.564 1.00 52.41 N ATOM 0 H LYS A 75 13.158 -0.240 2.968 1.00 54.03 H new ATOM 0 HA LYS A 75 12.343 -3.053 3.414 1.00 51.44 H new ATOM 0 HB2 LYS A 75 14.338 -2.352 4.710 1.00 1.23 H new ATOM 0 HB3 LYS A 75 13.493 -0.930 5.290 1.00 1.23 H new ATOM 0 HG2 LYS A 75 11.812 -2.485 6.401 1.00 40.40 H new ATOM 0 HG3 LYS A 75 12.845 -3.828 5.954 1.00 40.40 H new ATOM 0 HD2 LYS A 75 13.703 -1.465 7.677 1.00 70.21 H new ATOM 0 HD3 LYS A 75 13.230 -3.036 8.293 1.00 70.21 H new ATOM 0 HE2 LYS A 75 15.123 -4.061 6.945 1.00 5.14 H new ATOM 0 HE3 LYS A 75 15.633 -2.440 6.515 1.00 5.14 H new ATOM 0 HZ1 LYS A 75 16.857 -3.268 8.421 1.00 52.41 H new ATOM 0 HZ2 LYS A 75 15.912 -1.932 8.874 1.00 52.41 H new ATOM 0 HZ3 LYS A 75 15.418 -3.502 9.291 1.00 52.41 H new ATOM 637 N LEU A 76 10.086 -2.437 4.367 1.00 61.32 N ATOM 638 CA LEU A 76 8.754 -2.059 4.841 1.00 31.44 C ATOM 639 C LEU A 76 8.829 -1.449 6.249 1.00 54.33 C ATOM 640 O LEU A 76 9.097 -2.149 7.227 1.00 53.14 O ATOM 641 CB LEU A 76 7.819 -3.273 4.850 1.00 73.22 C ATOM 642 CG LEU A 76 6.381 -2.981 5.311 1.00 52.01 C ATOM 643 CD1 LEU A 76 5.687 -2.001 4.361 1.00 32.22 C ATOM 644 CD2 LEU A 76 5.586 -4.278 5.440 1.00 62.13 C ATOM 0 H LEU A 76 10.209 -3.435 4.195 1.00 61.32 H new ATOM 0 HA LEU A 76 8.355 -1.311 4.156 1.00 31.44 H new ATOM 0 HB2 LEU A 76 7.784 -3.694 3.845 1.00 73.22 H new ATOM 0 HB3 LEU A 76 8.245 -4.037 5.501 1.00 73.22 H new ATOM 0 HG LEU A 76 6.427 -2.511 6.294 1.00 52.01 H new ATOM 0 HD11 LEU A 76 4.672 -1.812 4.711 1.00 32.22 H new ATOM 0 HD12 LEU A 76 6.242 -1.063 4.336 1.00 32.22 H new ATOM 0 HD13 LEU A 76 5.652 -2.429 3.359 1.00 32.22 H new ATOM 0 HD21 LEU A 76 4.571 -4.052 5.767 1.00 62.13 H new ATOM 0 HD22 LEU A 76 5.552 -4.782 4.474 1.00 62.13 H new ATOM 0 HD23 LEU A 76 6.066 -4.928 6.171 1.00 62.13 H new ATOM 656 N ARG A 77 8.604 -0.143 6.337 1.00 65.20 N ATOM 657 CA ARG A 77 8.648 0.567 7.620 1.00 50.31 C ATOM 658 C ARG A 77 7.447 0.201 8.499 1.00 64.53 C ATOM 659 O ARG A 77 7.599 -0.125 9.678 1.00 15.21 O ATOM 660 CB ARG A 77 8.674 2.086 7.390 1.00 31.30 C ATOM 661 CG ARG A 77 8.735 2.894 8.682 1.00 24.13 C ATOM 662 CD ARG A 77 8.803 4.395 8.418 1.00 0.30 C ATOM 663 NE ARG A 77 8.990 5.152 9.656 1.00 0.23 N ATOM 664 CZ ARG A 77 8.764 6.431 9.785 1.00 71.40 C ATOM 665 NH1 ARG A 77 8.347 7.136 8.781 1.00 23.24 N ATOM 666 NH2 ARG A 77 8.953 6.996 10.931 1.00 22.32 N ATOM 0 H ARG A 77 8.388 0.451 5.536 1.00 65.20 H new ATOM 0 HA ARG A 77 9.559 0.263 8.135 1.00 50.31 H new ATOM 0 HB2 ARG A 77 9.536 2.338 6.772 1.00 31.30 H new ATOM 0 HB3 ARG A 77 7.785 2.376 6.830 1.00 31.30 H new ATOM 0 HG2 ARG A 77 7.857 2.673 9.289 1.00 24.13 H new ATOM 0 HG3 ARG A 77 9.607 2.588 9.259 1.00 24.13 H new ATOM 0 HD2 ARG A 77 9.624 4.608 7.733 1.00 0.30 H new ATOM 0 HD3 ARG A 77 7.886 4.720 7.927 1.00 0.30 H new ATOM 0 HE ARG A 77 9.320 4.644 10.477 1.00 0.23 H new ATOM 0 HH11 ARG A 77 8.191 6.692 7.876 1.00 23.24 H new ATOM 0 HH12 ARG A 77 8.174 8.135 8.896 1.00 23.24 H new ATOM 0 HH21 ARG A 77 9.276 6.443 11.725 1.00 22.32 H new ATOM 0 HH22 ARG A 77 8.779 7.995 11.042 1.00 22.32 H new ATOM 680 N GLU A 78 6.253 0.259 7.915 1.00 30.41 N ATOM 681 CA GLU A 78 5.014 -0.005 8.654 1.00 22.34 C ATOM 682 C GLU A 78 3.847 -0.302 7.700 1.00 54.25 C ATOM 683 O GLU A 78 3.849 0.125 6.540 1.00 53.13 O ATOM 684 CB GLU A 78 4.674 1.198 9.550 1.00 64.34 C ATOM 685 CG GLU A 78 4.509 2.502 8.780 1.00 5.24 C ATOM 686 CD GLU A 78 4.368 3.707 9.697 1.00 54.43 C ATOM 687 OE1 GLU A 78 5.404 4.279 10.095 1.00 42.22 O ATOM 688 OE2 GLU A 78 3.220 4.077 10.028 1.00 72.52 O ATOM 0 H GLU A 78 6.113 0.487 6.931 1.00 30.41 H new ATOM 0 HA GLU A 78 5.170 -0.887 9.276 1.00 22.34 H new ATOM 0 HB2 GLU A 78 3.753 0.987 10.094 1.00 64.34 H new ATOM 0 HB3 GLU A 78 5.462 1.321 10.293 1.00 64.34 H new ATOM 0 HG2 GLU A 78 5.370 2.646 8.127 1.00 5.24 H new ATOM 0 HG3 GLU A 78 3.630 2.433 8.139 1.00 5.24 H new ATOM 695 N ILE A 79 2.858 -1.040 8.194 1.00 71.32 N ATOM 696 CA ILE A 79 1.674 -1.392 7.404 1.00 51.31 C ATOM 697 C ILE A 79 0.489 -0.463 7.735 1.00 61.34 C ATOM 698 O ILE A 79 0.121 -0.304 8.901 1.00 21.31 O ATOM 699 CB ILE A 79 1.271 -2.873 7.652 1.00 61.03 C ATOM 700 CG1 ILE A 79 2.301 -3.828 7.017 1.00 11.45 C ATOM 701 CG2 ILE A 79 -0.133 -3.164 7.125 1.00 30.24 C ATOM 702 CD1 ILE A 79 2.007 -5.295 7.257 1.00 42.20 C ATOM 0 H ILE A 79 2.850 -1.410 9.144 1.00 71.32 H new ATOM 0 HA ILE A 79 1.928 -1.265 6.352 1.00 51.31 H new ATOM 0 HB ILE A 79 1.261 -3.041 8.729 1.00 61.03 H new ATOM 0 HG12 ILE A 79 2.337 -3.646 5.943 1.00 11.45 H new ATOM 0 HG13 ILE A 79 3.290 -3.596 7.413 1.00 11.45 H new ATOM 0 HG21 ILE A 79 -0.384 -4.208 7.314 1.00 30.24 H new ATOM 0 HG22 ILE A 79 -0.852 -2.520 7.631 1.00 30.24 H new ATOM 0 HG23 ILE A 79 -0.166 -2.972 6.053 1.00 30.24 H new ATOM 0 HD11 ILE A 79 2.776 -5.903 6.780 1.00 42.20 H new ATOM 0 HD12 ILE A 79 2.000 -5.494 8.329 1.00 42.20 H new ATOM 0 HD13 ILE A 79 1.033 -5.545 6.836 1.00 42.20 H new ATOM 714 N PRO A 80 -0.120 0.176 6.715 1.00 13.34 N ATOM 715 CA PRO A 80 -1.272 1.073 6.915 1.00 22.12 C ATOM 716 C PRO A 80 -2.480 0.378 7.578 1.00 52.41 C ATOM 717 O PRO A 80 -2.784 -0.782 7.292 1.00 4.11 O ATOM 718 CB PRO A 80 -1.626 1.537 5.490 1.00 74.24 C ATOM 719 CG PRO A 80 -0.986 0.535 4.590 1.00 4.30 C ATOM 720 CD PRO A 80 0.263 0.089 5.294 1.00 14.23 C ATOM 0 HA PRO A 80 -1.024 1.888 7.595 1.00 22.12 H new ATOM 0 HB2 PRO A 80 -2.705 1.569 5.342 1.00 74.24 H new ATOM 0 HB3 PRO A 80 -1.248 2.541 5.296 1.00 74.24 H new ATOM 0 HG2 PRO A 80 -1.653 -0.307 4.406 1.00 4.30 H new ATOM 0 HG3 PRO A 80 -0.752 0.974 3.620 1.00 4.30 H new ATOM 0 HD2 PRO A 80 0.547 -0.925 5.012 1.00 14.23 H new ATOM 0 HD3 PRO A 80 1.111 0.734 5.063 1.00 14.23 H new ATOM 728 N HIS A 81 -3.169 1.111 8.458 1.00 3.13 N ATOM 729 CA HIS A 81 -4.334 0.590 9.200 1.00 53.13 C ATOM 730 C HIS A 81 -5.343 -0.154 8.297 1.00 71.34 C ATOM 731 O HIS A 81 -5.967 -1.130 8.713 1.00 72.33 O ATOM 732 CB HIS A 81 -5.044 1.751 9.914 1.00 4.35 C ATOM 733 CG HIS A 81 -5.611 2.777 8.973 1.00 12.20 C ATOM 734 ND1 HIS A 81 -4.839 3.731 8.343 1.00 23.12 N ATOM 735 CD2 HIS A 81 -6.878 2.981 8.537 1.00 54.32 C ATOM 736 CE1 HIS A 81 -5.603 4.469 7.561 1.00 53.42 C ATOM 737 NE2 HIS A 81 -6.841 4.037 7.659 1.00 64.51 N ATOM 0 H HIS A 81 -2.940 2.080 8.680 1.00 3.13 H new ATOM 0 HA HIS A 81 -3.957 -0.136 9.921 1.00 53.13 H new ATOM 0 HB2 HIS A 81 -5.849 1.350 10.530 1.00 4.35 H new ATOM 0 HB3 HIS A 81 -4.339 2.238 10.588 1.00 4.35 H new ATOM 0 HD2 HIS A 81 -7.753 2.418 8.826 1.00 54.32 H new ATOM 0 HE1 HIS A 81 -5.268 5.290 6.944 1.00 53.42 H new ATOM 0 HE2 HIS A 81 -7.644 4.424 7.163 1.00 64.51 H new ATOM 746 N ASN A 82 -5.489 0.313 7.061 1.00 3.52 N ATOM 747 CA ASN A 82 -6.499 -0.218 6.132 1.00 31.13 C ATOM 748 C ASN A 82 -5.893 -1.173 5.088 1.00 11.43 C ATOM 749 O ASN A 82 -6.428 -1.323 3.995 1.00 41.30 O ATOM 750 CB ASN A 82 -7.197 0.949 5.422 1.00 62.11 C ATOM 751 CG ASN A 82 -6.219 1.871 4.710 1.00 55.43 C ATOM 752 OD1 ASN A 82 -5.085 2.056 5.143 1.00 11.10 O ATOM 753 ND2 ASN A 82 -6.647 2.458 3.614 1.00 63.05 N ATOM 0 H ASN A 82 -4.919 1.064 6.671 1.00 3.52 H new ATOM 0 HA ASN A 82 -7.217 -0.793 6.717 1.00 31.13 H new ATOM 0 HB2 ASN A 82 -7.911 0.555 4.699 1.00 62.11 H new ATOM 0 HB3 ASN A 82 -7.767 1.524 6.151 1.00 62.11 H new ATOM 0 HD21 ASN A 82 -6.031 3.087 3.099 1.00 63.05 H new ATOM 0 HD22 ASN A 82 -7.595 2.284 3.279 1.00 63.05 H new ATOM 760 N ALA A 83 -4.790 -1.828 5.431 1.00 54.15 N ATOM 761 CA ALA A 83 -4.122 -2.748 4.503 1.00 23.04 C ATOM 762 C ALA A 83 -4.979 -3.985 4.179 1.00 53.41 C ATOM 763 O ALA A 83 -4.890 -4.545 3.081 1.00 4.14 O ATOM 764 CB ALA A 83 -2.779 -3.177 5.071 1.00 1.33 C ATOM 0 H ALA A 83 -4.336 -1.743 6.341 1.00 54.15 H new ATOM 0 HA ALA A 83 -3.971 -2.209 3.568 1.00 23.04 H new ATOM 0 HB1 ALA A 83 -2.291 -3.860 4.375 1.00 1.33 H new ATOM 0 HB2 ALA A 83 -2.150 -2.299 5.220 1.00 1.33 H new ATOM 0 HB3 ALA A 83 -2.932 -3.680 6.026 1.00 1.33 H new ATOM 770 N THR A 84 -5.798 -4.415 5.138 1.00 63.05 N ATOM 771 CA THR A 84 -6.626 -5.620 4.969 1.00 64.12 C ATOM 772 C THR A 84 -8.052 -5.412 5.502 1.00 33.14 C ATOM 773 O THR A 84 -8.245 -4.960 6.632 1.00 40.35 O ATOM 774 CB THR A 84 -6.007 -6.839 5.702 1.00 4.14 C ATOM 775 OG1 THR A 84 -5.937 -6.588 7.114 1.00 30.51 O ATOM 776 CG2 THR A 84 -4.607 -7.154 5.180 1.00 0.22 C ATOM 0 H THR A 84 -5.910 -3.952 6.040 1.00 63.05 H new ATOM 0 HA THR A 84 -6.664 -5.813 3.897 1.00 64.12 H new ATOM 0 HB THR A 84 -6.651 -7.697 5.510 1.00 4.14 H new ATOM 0 HG1 THR A 84 -6.654 -5.972 7.373 1.00 30.51 H new ATOM 0 HG21 THR A 84 -4.204 -8.013 5.716 1.00 0.22 H new ATOM 0 HG22 THR A 84 -4.658 -7.382 4.115 1.00 0.22 H new ATOM 0 HG23 THR A 84 -3.958 -6.292 5.336 1.00 0.22 H new ATOM 784 N GLY A 85 -9.051 -5.746 4.685 1.00 12.41 N ATOM 785 CA GLY A 85 -10.442 -5.647 5.124 1.00 4.11 C ATOM 786 C GLY A 85 -11.445 -5.771 3.980 1.00 54.14 C ATOM 787 O GLY A 85 -11.134 -6.331 2.926 1.00 61.55 O ATOM 0 H GLY A 85 -8.926 -6.082 3.730 1.00 12.41 H new ATOM 0 HA2 GLY A 85 -10.641 -6.427 5.859 1.00 4.11 H new ATOM 0 HA3 GLY A 85 -10.590 -4.691 5.626 1.00 4.11 H new ATOM 791 N ASN A 86 -12.654 -5.255 4.190 1.00 40.04 N ATOM 792 CA ASN A 86 -13.698 -5.262 3.159 1.00 23.21 C ATOM 793 C ASN A 86 -13.979 -3.842 2.640 1.00 15.34 C ATOM 794 O ASN A 86 -14.077 -2.893 3.418 1.00 35.12 O ATOM 795 CB ASN A 86 -14.986 -5.888 3.713 1.00 61.01 C ATOM 796 CG ASN A 86 -15.509 -5.190 4.959 1.00 14.34 C ATOM 797 OD1 ASN A 86 -14.744 -4.688 5.779 1.00 31.03 O ATOM 798 ND2 ASN A 86 -16.816 -5.150 5.110 1.00 4.31 N ATOM 0 H ASN A 86 -12.939 -4.824 5.069 1.00 40.04 H new ATOM 0 HA ASN A 86 -13.341 -5.862 2.322 1.00 23.21 H new ATOM 0 HB2 ASN A 86 -15.755 -5.862 2.941 1.00 61.01 H new ATOM 0 HB3 ASN A 86 -14.801 -6.937 3.944 1.00 61.01 H new ATOM 0 HD21 ASN A 86 -17.221 -4.692 5.927 1.00 4.31 H new ATOM 0 HD22 ASN A 86 -17.423 -5.577 4.410 1.00 4.31 H new ATOM 805 N ILE A 87 -14.093 -3.695 1.320 1.00 62.45 N ATOM 806 CA ILE A 87 -14.395 -2.395 0.725 1.00 54.42 C ATOM 807 C ILE A 87 -15.797 -1.928 1.133 1.00 33.14 C ATOM 808 O ILE A 87 -16.799 -2.293 0.514 1.00 32.15 O ATOM 809 CB ILE A 87 -14.301 -2.425 -0.826 1.00 32.22 C ATOM 810 CG1 ILE A 87 -12.921 -2.924 -1.286 1.00 53.35 C ATOM 811 CG2 ILE A 87 -14.586 -1.039 -1.402 1.00 72.35 C ATOM 812 CD1 ILE A 87 -12.726 -2.900 -2.791 1.00 53.31 C ATOM 0 H ILE A 87 -13.982 -4.454 0.648 1.00 62.45 H new ATOM 0 HA ILE A 87 -13.647 -1.697 1.100 1.00 54.42 H new ATOM 0 HB ILE A 87 -15.053 -3.121 -1.198 1.00 32.22 H new ATOM 0 HG12 ILE A 87 -12.150 -2.310 -0.820 1.00 53.35 H new ATOM 0 HG13 ILE A 87 -12.776 -3.943 -0.927 1.00 53.35 H new ATOM 0 HG21 ILE A 87 -14.517 -1.075 -2.489 1.00 72.35 H new ATOM 0 HG22 ILE A 87 -15.589 -0.724 -1.113 1.00 72.35 H new ATOM 0 HG23 ILE A 87 -13.856 -0.327 -1.016 1.00 72.35 H new ATOM 0 HD11 ILE A 87 -11.729 -3.266 -3.035 1.00 53.31 H new ATOM 0 HD12 ILE A 87 -13.473 -3.537 -3.265 1.00 53.31 H new ATOM 0 HD13 ILE A 87 -12.836 -1.879 -3.156 1.00 53.31 H new ATOM 824 N THR A 88 -15.858 -1.138 2.195 1.00 34.44 N ATOM 825 CA THR A 88 -17.123 -0.589 2.688 1.00 63.12 C ATOM 826 C THR A 88 -17.382 0.804 2.102 1.00 31.51 C ATOM 827 O THR A 88 -18.503 1.315 2.145 1.00 12.22 O ATOM 828 CB THR A 88 -17.126 -0.503 4.232 1.00 4.32 C ATOM 829 OG1 THR A 88 -16.143 0.447 4.675 1.00 15.25 O ATOM 830 CG2 THR A 88 -16.833 -1.873 4.849 1.00 53.41 C ATOM 0 H THR A 88 -15.042 -0.858 2.739 1.00 34.44 H new ATOM 0 HA THR A 88 -17.917 -1.264 2.368 1.00 63.12 H new ATOM 0 HB THR A 88 -18.114 -0.177 4.555 1.00 4.32 H new ATOM 0 HG1 THR A 88 -16.153 0.496 5.654 1.00 15.25 H new ATOM 0 HG21 THR A 88 -16.839 -1.791 5.936 1.00 53.41 H new ATOM 0 HG22 THR A 88 -17.596 -2.585 4.534 1.00 53.41 H new ATOM 0 HG23 THR A 88 -15.854 -2.220 4.517 1.00 53.41 H new ATOM 838 N ASP A 89 -16.338 1.404 1.539 1.00 53.03 N ATOM 839 CA ASP A 89 -16.433 2.732 0.930 1.00 75.54 C ATOM 840 C ASP A 89 -15.566 2.808 -0.339 1.00 13.13 C ATOM 841 O ASP A 89 -14.663 1.994 -0.531 1.00 50.33 O ATOM 842 CB ASP A 89 -16.006 3.795 1.949 1.00 30.45 C ATOM 843 CG ASP A 89 -16.257 5.206 1.459 1.00 75.12 C ATOM 844 OD1 ASP A 89 -17.426 5.527 1.154 1.00 55.30 O ATOM 845 OD2 ASP A 89 -15.297 5.997 1.382 1.00 53.31 O ATOM 0 H ASP A 89 -15.407 0.989 1.490 1.00 53.03 H new ATOM 0 HA ASP A 89 -17.466 2.919 0.638 1.00 75.54 H new ATOM 0 HB2 ASP A 89 -16.547 3.637 2.882 1.00 30.45 H new ATOM 0 HB3 ASP A 89 -14.946 3.675 2.171 1.00 30.45 H new ATOM 850 N THR A 90 -15.847 3.777 -1.208 1.00 54.53 N ATOM 851 CA THR A 90 -15.123 3.897 -2.485 1.00 11.40 C ATOM 852 C THR A 90 -14.071 5.010 -2.454 1.00 2.51 C ATOM 853 O THR A 90 -14.274 6.065 -1.849 1.00 63.04 O ATOM 854 CB THR A 90 -16.081 4.151 -3.672 1.00 51.04 C ATOM 855 OG1 THR A 90 -15.330 4.302 -4.891 1.00 51.01 O ATOM 856 CG2 THR A 90 -16.944 5.388 -3.437 1.00 24.45 C ATOM 0 H THR A 90 -16.563 4.488 -1.059 1.00 54.53 H new ATOM 0 HA THR A 90 -14.621 2.940 -2.627 1.00 11.40 H new ATOM 0 HB THR A 90 -16.742 3.289 -3.758 1.00 51.04 H new ATOM 0 HG1 THR A 90 -15.934 4.228 -5.659 1.00 51.01 H new ATOM 0 HG21 THR A 90 -17.606 5.538 -4.290 1.00 24.45 H new ATOM 0 HG22 THR A 90 -17.540 5.250 -2.535 1.00 24.45 H new ATOM 0 HG23 THR A 90 -16.303 6.261 -3.317 1.00 24.45 H new ATOM 864 N GLY A 91 -12.958 4.772 -3.137 1.00 10.30 N ATOM 865 CA GLY A 91 -11.856 5.732 -3.155 1.00 24.44 C ATOM 866 C GLY A 91 -10.923 5.602 -1.954 1.00 34.10 C ATOM 867 O GLY A 91 -10.293 6.579 -1.534 1.00 41.34 O ATOM 0 H GLY A 91 -12.793 3.927 -3.684 1.00 10.30 H new ATOM 0 HA2 GLY A 91 -11.280 5.596 -4.070 1.00 24.44 H new ATOM 0 HA3 GLY A 91 -12.264 6.742 -3.182 1.00 24.44 H new ATOM 871 N ILE A 92 -10.835 4.399 -1.401 1.00 34.13 N ATOM 872 CA ILE A 92 -9.944 4.126 -0.269 1.00 30.31 C ATOM 873 C ILE A 92 -8.503 3.915 -0.759 1.00 64.14 C ATOM 874 O ILE A 92 -8.285 3.311 -1.809 1.00 24.43 O ATOM 875 CB ILE A 92 -10.410 2.874 0.519 1.00 4.13 C ATOM 876 CG1 ILE A 92 -11.850 3.065 1.033 1.00 12.45 C ATOM 877 CG2 ILE A 92 -9.460 2.573 1.679 1.00 3.12 C ATOM 878 CD1 ILE A 92 -12.389 1.882 1.815 1.00 40.23 C ATOM 0 H ILE A 92 -11.370 3.590 -1.716 1.00 34.13 H new ATOM 0 HA ILE A 92 -9.978 4.990 0.395 1.00 30.31 H new ATOM 0 HB ILE A 92 -10.395 2.021 -0.159 1.00 4.13 H new ATOM 0 HG12 ILE A 92 -11.884 3.952 1.666 1.00 12.45 H new ATOM 0 HG13 ILE A 92 -12.506 3.255 0.183 1.00 12.45 H new ATOM 0 HG21 ILE A 92 -9.809 1.691 2.216 1.00 3.12 H new ATOM 0 HG22 ILE A 92 -8.458 2.389 1.291 1.00 3.12 H new ATOM 0 HG23 ILE A 92 -9.435 3.425 2.359 1.00 3.12 H new ATOM 0 HD11 ILE A 92 -13.407 2.095 2.142 1.00 40.23 H new ATOM 0 HD12 ILE A 92 -12.390 0.996 1.180 1.00 40.23 H new ATOM 0 HD13 ILE A 92 -11.758 1.704 2.686 1.00 40.23 H new ATOM 890 N ILE A 93 -7.522 4.417 -0.009 1.00 41.11 N ATOM 891 CA ILE A 93 -6.117 4.303 -0.413 1.00 64.21 C ATOM 892 C ILE A 93 -5.263 3.606 0.653 1.00 12.35 C ATOM 893 O ILE A 93 -5.178 4.056 1.797 1.00 25.24 O ATOM 894 CB ILE A 93 -5.510 5.688 -0.742 1.00 22.23 C ATOM 895 CG1 ILE A 93 -6.302 6.336 -1.893 1.00 20.33 C ATOM 896 CG2 ILE A 93 -4.017 5.571 -1.086 1.00 72.52 C ATOM 897 CD1 ILE A 93 -5.745 7.660 -2.363 1.00 3.42 C ATOM 0 H ILE A 93 -7.670 4.903 0.875 1.00 41.11 H new ATOM 0 HA ILE A 93 -6.106 3.688 -1.313 1.00 64.21 H new ATOM 0 HB ILE A 93 -5.586 6.327 0.138 1.00 22.23 H new ATOM 0 HG12 ILE A 93 -6.326 5.645 -2.736 1.00 20.33 H new ATOM 0 HG13 ILE A 93 -7.333 6.482 -1.572 1.00 20.33 H new ATOM 0 HG21 ILE A 93 -3.617 6.559 -1.313 1.00 72.52 H new ATOM 0 HG22 ILE A 93 -3.480 5.148 -0.237 1.00 72.52 H new ATOM 0 HG23 ILE A 93 -3.893 4.922 -1.953 1.00 72.52 H new ATOM 0 HD11 ILE A 93 -6.362 8.047 -3.174 1.00 3.42 H new ATOM 0 HD12 ILE A 93 -5.747 8.370 -1.536 1.00 3.42 H new ATOM 0 HD13 ILE A 93 -4.724 7.520 -2.718 1.00 3.42 H new ATOM 909 N VAL A 94 -4.641 2.497 0.265 1.00 54.51 N ATOM 910 CA VAL A 94 -3.726 1.762 1.142 1.00 11.40 C ATOM 911 C VAL A 94 -2.270 2.126 0.815 1.00 70.41 C ATOM 912 O VAL A 94 -1.713 1.670 -0.183 1.00 62.30 O ATOM 913 CB VAL A 94 -3.923 0.231 1.000 1.00 2.15 C ATOM 914 CG1 VAL A 94 -2.998 -0.529 1.943 1.00 2.40 C ATOM 915 CG2 VAL A 94 -5.377 -0.146 1.254 1.00 73.32 C ATOM 0 H VAL A 94 -4.754 2.082 -0.660 1.00 54.51 H new ATOM 0 HA VAL A 94 -3.950 2.046 2.170 1.00 11.40 H new ATOM 0 HB VAL A 94 -3.666 -0.050 -0.021 1.00 2.15 H new ATOM 0 HG11 VAL A 94 -3.157 -1.601 1.823 1.00 2.40 H new ATOM 0 HG12 VAL A 94 -1.961 -0.287 1.709 1.00 2.40 H new ATOM 0 HG13 VAL A 94 -3.214 -0.243 2.973 1.00 2.40 H new ATOM 0 HG21 VAL A 94 -5.497 -1.224 1.150 1.00 73.32 H new ATOM 0 HG22 VAL A 94 -5.660 0.155 2.263 1.00 73.32 H new ATOM 0 HG23 VAL A 94 -6.016 0.361 0.531 1.00 73.32 H new ATOM 925 N ARG A 95 -1.657 2.950 1.656 1.00 3.42 N ATOM 926 CA ARG A 95 -0.322 3.485 1.373 1.00 32.22 C ATOM 927 C ARG A 95 0.749 2.856 2.283 1.00 41.03 C ATOM 928 O ARG A 95 0.820 3.156 3.476 1.00 52.04 O ATOM 929 CB ARG A 95 -0.330 5.014 1.537 1.00 2.14 C ATOM 930 CG ARG A 95 0.958 5.689 1.090 1.00 13.20 C ATOM 931 CD ARG A 95 0.916 7.202 1.289 1.00 31.10 C ATOM 932 NE ARG A 95 0.104 7.869 0.271 1.00 52.45 N ATOM 933 CZ ARG A 95 0.017 9.163 0.134 1.00 12.32 C ATOM 934 NH1 ARG A 95 0.591 9.960 0.977 1.00 63.10 N ATOM 935 NH2 ARG A 95 -0.660 9.652 -0.848 1.00 31.11 N ATOM 0 H ARG A 95 -2.058 3.265 2.539 1.00 3.42 H new ATOM 0 HA ARG A 95 -0.067 3.230 0.344 1.00 32.22 H new ATOM 0 HB2 ARG A 95 -1.162 5.426 0.966 1.00 2.14 H new ATOM 0 HB3 ARG A 95 -0.511 5.256 2.584 1.00 2.14 H new ATOM 0 HG2 ARG A 95 1.797 5.274 1.649 1.00 13.20 H new ATOM 0 HG3 ARG A 95 1.136 5.468 0.038 1.00 13.20 H new ATOM 0 HD2 ARG A 95 0.514 7.426 2.277 1.00 31.10 H new ATOM 0 HD3 ARG A 95 1.931 7.599 1.260 1.00 31.10 H new ATOM 0 HE ARG A 95 -0.428 7.284 -0.373 1.00 52.45 H new ATOM 0 HH11 ARG A 95 1.120 9.578 1.761 1.00 63.10 H new ATOM 0 HH12 ARG A 95 0.514 10.970 0.857 1.00 63.10 H new ATOM 0 HH21 ARG A 95 -1.122 9.028 -1.510 1.00 31.11 H new ATOM 0 HH22 ARG A 95 -0.734 10.663 -0.963 1.00 31.11 H new ATOM 949 N TYR A 96 1.572 1.974 1.715 1.00 72.15 N ATOM 950 CA TYR A 96 2.668 1.337 2.456 1.00 20.33 C ATOM 951 C TYR A 96 3.897 2.250 2.544 1.00 75.34 C ATOM 952 O TYR A 96 4.299 2.870 1.559 1.00 72.52 O ATOM 953 CB TYR A 96 3.050 0.000 1.804 1.00 20.14 C ATOM 954 CG TYR A 96 2.070 -1.118 2.100 1.00 20.04 C ATOM 955 CD1 TYR A 96 0.830 -1.173 1.475 1.00 60.43 C ATOM 956 CD2 TYR A 96 2.386 -2.115 3.015 1.00 75.23 C ATOM 957 CE1 TYR A 96 -0.063 -2.189 1.753 1.00 15.22 C ATOM 958 CE2 TYR A 96 1.500 -3.133 3.298 1.00 43.41 C ATOM 959 CZ TYR A 96 0.277 -3.168 2.665 1.00 44.30 C ATOM 960 OH TYR A 96 -0.609 -4.181 2.949 1.00 44.53 O ATOM 0 H TYR A 96 1.502 1.682 0.740 1.00 72.15 H new ATOM 0 HA TYR A 96 2.315 1.152 3.470 1.00 20.33 H new ATOM 0 HB2 TYR A 96 3.118 0.137 0.725 1.00 20.14 H new ATOM 0 HB3 TYR A 96 4.041 -0.294 2.151 1.00 20.14 H new ATOM 0 HD1 TYR A 96 0.560 -0.409 0.761 1.00 60.43 H new ATOM 0 HD2 TYR A 96 3.344 -2.092 3.514 1.00 75.23 H new ATOM 0 HE1 TYR A 96 -1.023 -2.218 1.259 1.00 15.22 H new ATOM 0 HE2 TYR A 96 1.764 -3.899 4.012 1.00 43.41 H new ATOM 0 HH TYR A 96 -1.338 -4.171 2.294 1.00 44.53 H new ATOM 970 N ILE A 97 4.490 2.314 3.731 1.00 2.22 N ATOM 971 CA ILE A 97 5.659 3.167 3.981 1.00 73.33 C ATOM 972 C ILE A 97 6.953 2.332 4.013 1.00 72.01 C ATOM 973 O ILE A 97 7.015 1.306 4.690 1.00 55.25 O ATOM 974 CB ILE A 97 5.515 3.916 5.334 1.00 11.34 C ATOM 975 CG1 ILE A 97 4.133 4.591 5.444 1.00 30.11 C ATOM 976 CG2 ILE A 97 6.635 4.944 5.501 1.00 43.42 C ATOM 977 CD1 ILE A 97 3.892 5.682 4.420 1.00 4.44 C ATOM 0 H ILE A 97 4.181 1.783 4.545 1.00 2.22 H new ATOM 0 HA ILE A 97 5.714 3.890 3.167 1.00 73.33 H new ATOM 0 HB ILE A 97 5.598 3.185 6.138 1.00 11.34 H new ATOM 0 HG12 ILE A 97 3.360 3.830 5.337 1.00 30.11 H new ATOM 0 HG13 ILE A 97 4.027 5.015 6.442 1.00 30.11 H new ATOM 0 HG21 ILE A 97 6.517 5.459 6.455 1.00 43.42 H new ATOM 0 HG22 ILE A 97 7.600 4.438 5.479 1.00 43.42 H new ATOM 0 HG23 ILE A 97 6.587 5.669 4.689 1.00 43.42 H new ATOM 0 HD11 ILE A 97 2.898 6.105 4.566 1.00 4.44 H new ATOM 0 HD12 ILE A 97 4.641 6.465 4.540 1.00 4.44 H new ATOM 0 HD13 ILE A 97 3.964 5.262 3.417 1.00 4.44 H new ATOM 989 N TYR A 98 7.985 2.768 3.283 1.00 61.14 N ATOM 990 CA TYR A 98 9.276 2.056 3.258 1.00 72.34 C ATOM 991 C TYR A 98 10.453 2.965 3.641 1.00 21.21 C ATOM 992 O TYR A 98 10.485 4.149 3.306 1.00 62.23 O ATOM 993 CB TYR A 98 9.558 1.462 1.867 1.00 72.44 C ATOM 994 CG TYR A 98 8.547 0.436 1.384 1.00 71.24 C ATOM 995 CD1 TYR A 98 7.305 0.821 0.887 1.00 73.51 C ATOM 996 CD2 TYR A 98 8.846 -0.923 1.416 1.00 24.11 C ATOM 997 CE1 TYR A 98 6.393 -0.119 0.442 1.00 11.33 C ATOM 998 CE2 TYR A 98 7.942 -1.864 0.972 1.00 72.23 C ATOM 999 CZ TYR A 98 6.718 -1.459 0.485 1.00 42.43 C ATOM 1000 OH TYR A 98 5.818 -2.402 0.046 1.00 14.54 O ATOM 0 H TYR A 98 7.956 3.606 2.703 1.00 61.14 H new ATOM 0 HA TYR A 98 9.190 1.259 3.996 1.00 72.34 H new ATOM 0 HB2 TYR A 98 9.599 2.276 1.144 1.00 72.44 H new ATOM 0 HB3 TYR A 98 10.544 0.998 1.881 1.00 72.44 H new ATOM 0 HD1 TYR A 98 7.050 1.870 0.848 1.00 73.51 H new ATOM 0 HD2 TYR A 98 9.804 -1.246 1.796 1.00 24.11 H new ATOM 0 HE1 TYR A 98 5.432 0.194 0.063 1.00 11.33 H new ATOM 0 HE2 TYR A 98 8.192 -2.914 1.006 1.00 72.23 H new ATOM 0 HH TYR A 98 5.721 -3.102 0.725 1.00 14.54 H new ATOM 1010 N ASP A 99 11.418 2.383 4.347 1.00 44.44 N ATOM 1011 CA ASP A 99 12.707 3.025 4.606 1.00 34.32 C ATOM 1012 C ASP A 99 13.760 2.526 3.605 1.00 30.30 C ATOM 1013 O ASP A 99 13.867 1.324 3.359 1.00 21.33 O ATOM 1014 CB ASP A 99 13.187 2.721 6.032 1.00 63.12 C ATOM 1015 CG ASP A 99 12.409 3.468 7.098 1.00 75.20 C ATOM 1016 OD1 ASP A 99 12.438 4.716 7.096 1.00 72.51 O ATOM 1017 OD2 ASP A 99 11.785 2.812 7.954 1.00 11.00 O ATOM 0 H ASP A 99 11.330 1.453 4.757 1.00 44.44 H new ATOM 0 HA ASP A 99 12.576 4.101 4.494 1.00 34.32 H new ATOM 0 HB2 ASP A 99 13.104 1.650 6.215 1.00 63.12 H new ATOM 0 HB3 ASP A 99 14.243 2.978 6.115 1.00 63.12 H new ATOM 1022 N LYS A 100 14.543 3.434 3.031 1.00 4.53 N ATOM 1023 CA LYS A 100 15.562 3.033 2.057 1.00 14.21 C ATOM 1024 C LYS A 100 16.724 2.285 2.728 1.00 44.10 C ATOM 1025 O LYS A 100 17.421 2.829 3.589 1.00 60.55 O ATOM 1026 CB LYS A 100 16.096 4.241 1.279 1.00 21.31 C ATOM 1027 CG LYS A 100 17.012 3.850 0.121 1.00 62.15 C ATOM 1028 CD LYS A 100 17.495 5.060 -0.667 1.00 50.11 C ATOM 1029 CE LYS A 100 18.445 4.658 -1.788 1.00 52.22 C ATOM 1030 NZ LYS A 100 18.940 5.837 -2.547 1.00 54.11 N ATOM 0 H LYS A 100 14.497 4.436 3.216 1.00 4.53 H new ATOM 0 HA LYS A 100 15.078 2.354 1.355 1.00 14.21 H new ATOM 0 HB2 LYS A 100 15.255 4.816 0.891 1.00 21.31 H new ATOM 0 HB3 LYS A 100 16.641 4.893 1.961 1.00 21.31 H new ATOM 0 HG2 LYS A 100 17.872 3.305 0.509 1.00 62.15 H new ATOM 0 HG3 LYS A 100 16.480 3.172 -0.547 1.00 62.15 H new ATOM 0 HD2 LYS A 100 16.638 5.587 -1.087 1.00 50.11 H new ATOM 0 HD3 LYS A 100 17.998 5.755 0.005 1.00 50.11 H new ATOM 0 HE2 LYS A 100 19.292 4.115 -1.368 1.00 52.22 H new ATOM 0 HE3 LYS A 100 17.935 3.976 -2.469 1.00 52.22 H new ATOM 0 HZ1 LYS A 100 19.583 5.520 -3.300 1.00 54.11 H new ATOM 0 HZ2 LYS A 100 18.134 6.341 -2.969 1.00 54.11 H new ATOM 0 HZ3 LYS A 100 19.449 6.476 -1.903 1.00 54.11 H new ATOM 1044 N ILE A 101 16.925 1.035 2.324 1.00 2.24 N ATOM 1045 CA ILE A 101 18.055 0.236 2.795 1.00 64.52 C ATOM 1046 C ILE A 101 19.342 0.680 2.087 1.00 2.54 C ATOM 1047 O ILE A 101 19.570 0.360 0.917 1.00 21.52 O ATOM 1048 CB ILE A 101 17.828 -1.277 2.538 1.00 5.54 C ATOM 1049 CG1 ILE A 101 16.474 -1.729 3.107 1.00 24.12 C ATOM 1050 CG2 ILE A 101 18.961 -2.098 3.147 1.00 34.20 C ATOM 1051 CD1 ILE A 101 16.172 -3.197 2.872 1.00 44.40 C ATOM 0 H ILE A 101 16.316 0.549 1.666 1.00 2.24 H new ATOM 0 HA ILE A 101 18.146 0.394 3.870 1.00 64.52 H new ATOM 0 HB ILE A 101 17.819 -1.442 1.461 1.00 5.54 H new ATOM 0 HG12 ILE A 101 16.456 -1.531 4.179 1.00 24.12 H new ATOM 0 HG13 ILE A 101 15.683 -1.128 2.658 1.00 24.12 H new ATOM 0 HG21 ILE A 101 18.786 -3.157 2.957 1.00 34.20 H new ATOM 0 HG22 ILE A 101 19.908 -1.801 2.697 1.00 34.20 H new ATOM 0 HG23 ILE A 101 19.000 -1.924 4.222 1.00 34.20 H new ATOM 0 HD11 ILE A 101 15.200 -3.442 3.301 1.00 44.40 H new ATOM 0 HD12 ILE A 101 16.157 -3.398 1.801 1.00 44.40 H new ATOM 0 HD13 ILE A 101 16.942 -3.807 3.345 1.00 44.40 H new ATOM 1063 N ILE A 102 20.177 1.428 2.794 1.00 65.20 N ATOM 1064 CA ILE A 102 21.397 2.000 2.212 1.00 63.04 C ATOM 1065 C ILE A 102 22.576 1.049 2.371 1.00 22.35 C ATOM 1066 O ILE A 102 23.702 1.436 2.700 1.00 3.12 O ATOM 1067 CB ILE A 102 21.678 3.394 2.836 1.00 55.44 C ATOM 1068 CG1 ILE A 102 20.386 4.231 2.789 1.00 64.31 C ATOM 1069 CG2 ILE A 102 22.814 4.121 2.106 1.00 75.21 C ATOM 1070 CD1 ILE A 102 20.475 5.567 3.489 1.00 13.00 C ATOM 0 H ILE A 102 20.036 1.658 3.778 1.00 65.20 H new ATOM 0 HA ILE A 102 21.250 2.138 1.141 1.00 63.04 H new ATOM 0 HB ILE A 102 21.996 3.258 3.870 1.00 55.44 H new ATOM 0 HG12 ILE A 102 20.116 4.399 1.747 1.00 64.31 H new ATOM 0 HG13 ILE A 102 19.578 3.653 3.238 1.00 64.31 H new ATOM 0 HG21 ILE A 102 22.982 5.093 2.571 1.00 75.21 H new ATOM 0 HG22 ILE A 102 23.726 3.527 2.168 1.00 75.21 H new ATOM 0 HG23 ILE A 102 22.543 4.261 1.060 1.00 75.21 H new ATOM 0 HD11 ILE A 102 19.520 6.086 3.405 1.00 13.00 H new ATOM 0 HD12 ILE A 102 20.712 5.411 4.542 1.00 13.00 H new ATOM 0 HD13 ILE A 102 21.257 6.169 3.026 1.00 13.00 H new ATOM 1082 N ASP A 103 22.301 -0.205 2.055 1.00 73.42 N ATOM 1083 CA ASP A 103 23.263 -1.265 2.174 1.00 44.20 C ATOM 1084 C ASP A 103 22.704 -2.559 1.586 1.00 51.43 C ATOM 1085 O ASP A 103 21.678 -2.556 0.902 1.00 41.41 O ATOM 1086 CB ASP A 103 23.631 -1.451 3.636 1.00 42.35 C ATOM 1087 CG ASP A 103 22.432 -1.748 4.529 1.00 60.03 C ATOM 1088 OD1 ASP A 103 21.712 -0.797 4.910 1.00 41.05 O ATOM 1089 OD2 ASP A 103 22.203 -2.933 4.848 1.00 52.03 O ATOM 0 H ASP A 103 21.392 -0.509 1.706 1.00 73.42 H new ATOM 0 HA ASP A 103 24.161 -1.003 1.614 1.00 44.20 H new ATOM 0 HB2 ASP A 103 24.349 -2.267 3.721 1.00 42.35 H new ATOM 0 HB3 ASP A 103 24.128 -0.550 3.995 1.00 42.35 H new ATOM 1094 N VAL A 104 23.373 -3.661 1.862 1.00 64.13 N ATOM 1095 CA VAL A 104 22.968 -4.958 1.327 1.00 22.44 C ATOM 1096 C VAL A 104 22.156 -5.788 2.343 1.00 42.13 C ATOM 1097 O VAL A 104 22.110 -7.020 2.247 1.00 52.42 O ATOM 1098 CB VAL A 104 24.219 -5.764 0.904 1.00 51.24 C ATOM 1099 CG1 VAL A 104 24.945 -5.088 -0.256 1.00 64.40 C ATOM 1100 CG2 VAL A 104 25.156 -5.929 2.095 1.00 30.52 C ATOM 0 H VAL A 104 24.203 -3.690 2.455 1.00 64.13 H new ATOM 0 HA VAL A 104 22.327 -4.763 0.467 1.00 22.44 H new ATOM 0 HB VAL A 104 23.895 -6.748 0.565 1.00 51.24 H new ATOM 0 HG11 VAL A 104 25.820 -5.678 -0.531 1.00 64.40 H new ATOM 0 HG12 VAL A 104 24.274 -5.014 -1.112 1.00 64.40 H new ATOM 0 HG13 VAL A 104 25.261 -4.089 0.045 1.00 64.40 H new ATOM 0 HG21 VAL A 104 26.035 -6.497 1.791 1.00 30.52 H new ATOM 0 HG22 VAL A 104 25.465 -4.947 2.454 1.00 30.52 H new ATOM 0 HG23 VAL A 104 24.639 -6.461 2.894 1.00 30.52 H new ATOM 1110 N SER A 105 21.493 -5.113 3.286 1.00 72.44 N ATOM 1111 CA SER A 105 20.888 -5.787 4.447 1.00 62.03 C ATOM 1112 C SER A 105 21.986 -6.522 5.216 1.00 34.53 C ATOM 1113 O SER A 105 21.843 -7.679 5.610 1.00 20.41 O ATOM 1114 CB SER A 105 19.763 -6.752 4.029 1.00 15.30 C ATOM 1115 OG SER A 105 18.642 -6.042 3.516 1.00 43.04 O ATOM 0 H SER A 105 21.360 -4.102 3.272 1.00 72.44 H new ATOM 0 HA SER A 105 20.428 -5.037 5.090 1.00 62.03 H new ATOM 0 HB2 SER A 105 20.136 -7.444 3.274 1.00 15.30 H new ATOM 0 HB3 SER A 105 19.456 -7.351 4.887 1.00 15.30 H new ATOM 0 HG SER A 105 17.943 -6.678 3.256 1.00 43.04 H new ATOM 1121 N TYR A 106 23.081 -5.797 5.428 1.00 53.35 N ATOM 1122 CA TYR A 106 24.332 -6.345 5.947 1.00 45.32 C ATOM 1123 C TYR A 106 24.194 -6.839 7.397 1.00 25.42 C ATOM 1124 O TYR A 106 24.317 -6.062 8.346 1.00 72.23 O ATOM 1125 CB TYR A 106 25.417 -5.262 5.843 1.00 34.05 C ATOM 1126 CG TYR A 106 26.836 -5.768 5.998 1.00 71.02 C ATOM 1127 CD1 TYR A 106 27.460 -6.467 4.971 1.00 44.41 C ATOM 1128 CD2 TYR A 106 27.560 -5.526 7.160 1.00 14.20 C ATOM 1129 CE1 TYR A 106 28.759 -6.913 5.098 1.00 21.10 C ATOM 1130 CE2 TYR A 106 28.858 -5.970 7.294 1.00 75.23 C ATOM 1131 CZ TYR A 106 29.454 -6.663 6.263 1.00 32.23 C ATOM 1132 OH TYR A 106 30.753 -7.099 6.400 1.00 73.21 O ATOM 0 H TYR A 106 23.125 -4.795 5.241 1.00 53.35 H new ATOM 0 HA TYR A 106 24.607 -7.215 5.351 1.00 45.32 H new ATOM 0 HB2 TYR A 106 25.326 -4.768 4.876 1.00 34.05 H new ATOM 0 HB3 TYR A 106 25.230 -4.506 6.606 1.00 34.05 H new ATOM 0 HD1 TYR A 106 26.918 -6.664 4.058 1.00 44.41 H new ATOM 0 HD2 TYR A 106 27.098 -4.982 7.970 1.00 14.20 H new ATOM 0 HE1 TYR A 106 29.229 -7.455 4.290 1.00 21.10 H new ATOM 0 HE2 TYR A 106 29.406 -5.775 8.204 1.00 75.23 H new ATOM 0 HH TYR A 106 31.094 -6.838 7.281 1.00 73.21 H new ATOM 1142 N VAL A 107 23.925 -8.132 7.560 1.00 62.24 N ATOM 1143 CA VAL A 107 23.789 -8.731 8.891 1.00 2.10 C ATOM 1144 C VAL A 107 25.150 -9.178 9.444 1.00 63.55 C ATOM 1145 O VAL A 107 25.556 -10.333 9.308 1.00 13.55 O ATOM 1146 CB VAL A 107 22.806 -9.929 8.886 1.00 22.33 C ATOM 1147 CG1 VAL A 107 22.632 -10.504 10.294 1.00 72.22 C ATOM 1148 CG2 VAL A 107 21.460 -9.509 8.298 1.00 60.12 C ATOM 0 H VAL A 107 23.796 -8.787 6.789 1.00 62.24 H new ATOM 0 HA VAL A 107 23.382 -7.957 9.542 1.00 2.10 H new ATOM 0 HB VAL A 107 23.227 -10.714 8.258 1.00 22.33 H new ATOM 0 HG11 VAL A 107 21.937 -11.343 10.261 1.00 72.22 H new ATOM 0 HG12 VAL A 107 23.597 -10.846 10.669 1.00 72.22 H new ATOM 0 HG13 VAL A 107 22.238 -9.733 10.956 1.00 72.22 H new ATOM 0 HG21 VAL A 107 20.780 -10.361 8.301 1.00 60.12 H new ATOM 0 HG22 VAL A 107 21.036 -8.704 8.898 1.00 60.12 H new ATOM 0 HG23 VAL A 107 21.602 -9.162 7.275 1.00 60.12 H new ATOM 1158 N ASP A 108 25.857 -8.231 10.039 1.00 64.32 N ATOM 1159 CA ASP A 108 27.149 -8.483 10.682 1.00 43.31 C ATOM 1160 C ASP A 108 27.342 -7.492 11.839 1.00 12.43 C ATOM 1161 O ASP A 108 28.278 -6.695 11.859 1.00 33.50 O ATOM 1162 CB ASP A 108 28.277 -8.368 9.646 1.00 14.51 C ATOM 1163 CG ASP A 108 29.648 -8.687 10.216 1.00 5.04 C ATOM 1164 OD1 ASP A 108 29.857 -9.833 10.663 1.00 12.45 O ATOM 1165 OD2 ASP A 108 30.527 -7.802 10.204 1.00 62.43 O ATOM 0 H ASP A 108 25.554 -7.258 10.093 1.00 64.32 H new ATOM 0 HA ASP A 108 27.174 -9.494 11.090 1.00 43.31 H new ATOM 0 HB2 ASP A 108 28.070 -9.044 8.816 1.00 14.51 H new ATOM 0 HB3 ASP A 108 28.286 -7.357 9.239 1.00 14.51 H new ATOM 1170 N GLU A 109 26.421 -7.553 12.799 1.00 44.41 N ATOM 1171 CA GLU A 109 26.348 -6.575 13.889 1.00 13.23 C ATOM 1172 C GLU A 109 26.209 -5.135 13.362 1.00 1.01 C ATOM 1173 O GLU A 109 25.094 -4.623 13.248 1.00 40.13 O ATOM 1174 CB GLU A 109 27.555 -6.688 14.837 1.00 20.43 C ATOM 1175 CG GLU A 109 27.513 -7.911 15.746 1.00 35.54 C ATOM 1176 CD GLU A 109 28.538 -7.844 16.868 1.00 53.43 C ATOM 1177 OE1 GLU A 109 28.438 -6.929 17.715 1.00 2.14 O ATOM 1178 OE2 GLU A 109 29.446 -8.699 16.911 1.00 12.12 O ATOM 0 H GLU A 109 25.705 -8.278 12.846 1.00 44.41 H new ATOM 0 HA GLU A 109 25.448 -6.811 14.457 1.00 13.23 H new ATOM 0 HB2 GLU A 109 28.469 -6.719 14.244 1.00 20.43 H new ATOM 0 HB3 GLU A 109 27.606 -5.791 15.454 1.00 20.43 H new ATOM 0 HG2 GLU A 109 26.516 -8.005 16.176 1.00 35.54 H new ATOM 0 HG3 GLU A 109 27.690 -8.807 15.151 1.00 35.54 H new ATOM 1185 N THR A 110 27.341 -4.498 13.030 1.00 22.44 N ATOM 1186 CA THR A 110 27.363 -3.095 12.555 1.00 45.32 C ATOM 1187 C THR A 110 26.446 -2.185 13.389 1.00 43.44 C ATOM 1188 O THR A 110 25.889 -1.210 12.885 1.00 71.33 O ATOM 1189 CB THR A 110 26.951 -2.993 11.062 1.00 65.10 C ATOM 1190 OG1 THR A 110 25.576 -3.384 10.884 1.00 14.23 O ATOM 1191 CG2 THR A 110 27.845 -3.868 10.194 1.00 30.13 C ATOM 0 H THR A 110 28.263 -4.931 13.080 1.00 22.44 H new ATOM 0 HA THR A 110 28.392 -2.755 12.671 1.00 45.32 H new ATOM 0 HB THR A 110 27.067 -1.953 10.756 1.00 65.10 H new ATOM 0 HG1 THR A 110 25.221 -3.726 11.731 1.00 14.23 H new ATOM 0 HG21 THR A 110 27.538 -3.781 9.152 1.00 30.13 H new ATOM 0 HG22 THR A 110 28.881 -3.544 10.296 1.00 30.13 H new ATOM 0 HG23 THR A 110 27.757 -4.907 10.512 1.00 30.13 H new ATOM 1199 N GLY A 111 26.325 -2.497 14.677 1.00 22.54 N ATOM 1200 CA GLY A 111 25.357 -1.823 15.532 1.00 43.43 C ATOM 1201 C GLY A 111 24.186 -2.728 15.896 1.00 5.02 C ATOM 1202 O GLY A 111 23.024 -2.386 15.665 1.00 70.23 O ATOM 0 H GLY A 111 26.883 -3.209 15.148 1.00 22.54 H new ATOM 0 HA2 GLY A 111 25.851 -1.486 16.443 1.00 43.43 H new ATOM 0 HA3 GLY A 111 24.983 -0.934 15.025 1.00 43.43 H new ATOM 1206 N LYS A 112 24.501 -3.891 16.468 1.00 11.43 N ATOM 1207 CA LYS A 112 23.485 -4.875 16.859 1.00 34.21 C ATOM 1208 C LYS A 112 22.478 -4.269 17.848 1.00 33.12 C ATOM 1209 O LYS A 112 21.273 -4.508 17.758 1.00 44.22 O ATOM 1210 CB LYS A 112 24.159 -6.111 17.473 1.00 42.15 C ATOM 1211 CG LYS A 112 23.195 -7.244 17.808 1.00 11.54 C ATOM 1212 CD LYS A 112 23.927 -8.440 18.406 1.00 34.52 C ATOM 1213 CE LYS A 112 22.989 -9.608 18.679 1.00 32.05 C ATOM 1214 NZ LYS A 112 23.714 -10.761 19.271 1.00 13.10 N ATOM 0 H LYS A 112 25.458 -4.178 16.673 1.00 11.43 H new ATOM 0 HA LYS A 112 22.938 -5.174 15.965 1.00 34.21 H new ATOM 0 HB2 LYS A 112 24.913 -6.483 16.779 1.00 42.15 H new ATOM 0 HB3 LYS A 112 24.682 -5.813 18.382 1.00 42.15 H new ATOM 0 HG2 LYS A 112 22.443 -6.887 18.511 1.00 11.54 H new ATOM 0 HG3 LYS A 112 22.667 -7.553 16.906 1.00 11.54 H new ATOM 0 HD2 LYS A 112 24.715 -8.760 17.724 1.00 34.52 H new ATOM 0 HD3 LYS A 112 24.412 -8.140 19.335 1.00 34.52 H new ATOM 0 HE2 LYS A 112 22.196 -9.289 19.356 1.00 32.05 H new ATOM 0 HE3 LYS A 112 22.510 -9.916 17.750 1.00 32.05 H new ATOM 0 HZ1 LYS A 112 23.046 -11.539 19.444 1.00 13.10 H new ATOM 0 HZ2 LYS A 112 24.454 -11.080 18.614 1.00 13.10 H new ATOM 0 HZ3 LYS A 112 24.150 -10.472 20.170 1.00 13.10 H new ATOM 1228 N ASP A 113 22.989 -3.478 18.784 1.00 72.33 N ATOM 1229 CA ASP A 113 22.150 -2.739 19.728 1.00 22.12 C ATOM 1230 C ASP A 113 22.463 -1.234 19.643 1.00 71.21 C ATOM 1231 O ASP A 113 23.418 -0.748 20.252 1.00 54.05 O ATOM 1232 CB ASP A 113 22.373 -3.268 21.151 1.00 71.14 C ATOM 1233 CG ASP A 113 21.400 -2.674 22.155 1.00 1.33 C ATOM 1234 OD1 ASP A 113 20.271 -3.194 22.273 1.00 32.30 O ATOM 1235 OD2 ASP A 113 21.757 -1.686 22.833 1.00 33.20 O ATOM 0 H ASP A 113 23.990 -3.329 18.912 1.00 72.33 H new ATOM 0 HA ASP A 113 21.101 -2.884 19.470 1.00 22.12 H new ATOM 0 HB2 ASP A 113 22.272 -4.353 21.151 1.00 71.14 H new ATOM 0 HB3 ASP A 113 23.393 -3.043 21.462 1.00 71.14 H new ATOM 1240 N LEU A 114 21.680 -0.516 18.836 1.00 53.05 N ATOM 1241 CA LEU A 114 21.889 0.922 18.610 1.00 42.51 C ATOM 1242 C LEU A 114 21.010 1.796 19.520 1.00 62.43 C ATOM 1243 O LEU A 114 20.401 1.306 20.470 1.00 34.00 O ATOM 1244 CB LEU A 114 21.617 1.265 17.135 1.00 64.31 C ATOM 1245 CG LEU A 114 22.663 0.752 16.135 1.00 24.30 C ATOM 1246 CD1 LEU A 114 22.233 1.049 14.701 1.00 1.44 C ATOM 1247 CD2 LEU A 114 24.031 1.368 16.422 1.00 22.20 C ATOM 0 H LEU A 114 20.889 -0.907 18.323 1.00 53.05 H new ATOM 0 HA LEU A 114 22.928 1.140 18.859 1.00 42.51 H new ATOM 0 HB2 LEU A 114 20.645 0.858 16.858 1.00 64.31 H new ATOM 0 HB3 LEU A 114 21.548 2.349 17.039 1.00 64.31 H new ATOM 0 HG LEU A 114 22.741 -0.329 16.251 1.00 24.30 H new ATOM 0 HD11 LEU A 114 22.989 0.677 14.010 1.00 1.44 H new ATOM 0 HD12 LEU A 114 21.282 0.557 14.497 1.00 1.44 H new ATOM 0 HD13 LEU A 114 22.121 2.125 14.570 1.00 1.44 H new ATOM 0 HD21 LEU A 114 24.758 0.991 15.702 1.00 22.20 H new ATOM 0 HD22 LEU A 114 23.966 2.453 16.339 1.00 22.20 H new ATOM 0 HD23 LEU A 114 24.346 1.100 17.430 1.00 22.20 H new ATOM 1259 N LEU A 115 20.961 3.097 19.204 1.00 24.43 N ATOM 1260 CA LEU A 115 20.216 4.093 19.987 1.00 1.43 C ATOM 1261 C LEU A 115 20.870 4.347 21.358 1.00 42.22 C ATOM 1262 O LEU A 115 20.995 3.436 22.180 1.00 64.20 O ATOM 1263 CB LEU A 115 18.742 3.685 20.163 1.00 14.51 C ATOM 1264 CG LEU A 115 17.921 3.614 18.866 1.00 44.23 C ATOM 1265 CD1 LEU A 115 16.464 3.264 19.162 1.00 24.43 C ATOM 1266 CD2 LEU A 115 18.013 4.930 18.098 1.00 71.45 C ATOM 0 H LEU A 115 21.440 3.491 18.394 1.00 24.43 H new ATOM 0 HA LEU A 115 20.247 5.025 19.422 1.00 1.43 H new ATOM 0 HB2 LEU A 115 18.708 2.710 20.649 1.00 14.51 H new ATOM 0 HB3 LEU A 115 18.264 4.395 20.838 1.00 14.51 H new ATOM 0 HG LEU A 115 18.339 2.823 18.243 1.00 44.23 H new ATOM 0 HD11 LEU A 115 15.904 3.220 18.228 1.00 24.43 H new ATOM 0 HD12 LEU A 115 16.416 2.296 19.660 1.00 24.43 H new ATOM 0 HD13 LEU A 115 16.031 4.027 19.809 1.00 24.43 H new ATOM 0 HD21 LEU A 115 17.425 4.859 17.183 1.00 71.45 H new ATOM 0 HD22 LEU A 115 17.626 5.740 18.716 1.00 71.45 H new ATOM 0 HD23 LEU A 115 19.054 5.132 17.846 1.00 71.45 H new ATOM 1278 N PRO A 116 21.294 5.598 21.624 1.00 55.23 N ATOM 1279 CA PRO A 116 21.920 5.974 22.903 1.00 64.45 C ATOM 1280 C PRO A 116 20.890 6.134 24.037 1.00 63.24 C ATOM 1281 O PRO A 116 20.862 7.155 24.729 1.00 74.42 O ATOM 1282 CB PRO A 116 22.583 7.317 22.565 1.00 4.00 C ATOM 1283 CG PRO A 116 21.698 7.912 21.526 1.00 43.43 C ATOM 1284 CD PRO A 116 21.198 6.751 20.702 1.00 21.12 C ATOM 0 HA PRO A 116 22.613 5.217 23.272 1.00 64.45 H new ATOM 0 HB2 PRO A 116 22.653 7.959 23.443 1.00 4.00 H new ATOM 0 HB3 PRO A 116 23.597 7.177 22.191 1.00 4.00 H new ATOM 0 HG2 PRO A 116 20.869 8.455 21.981 1.00 43.43 H new ATOM 0 HG3 PRO A 116 22.244 8.624 20.908 1.00 43.43 H new ATOM 0 HD2 PRO A 116 20.173 6.911 20.366 1.00 21.12 H new ATOM 0 HD3 PRO A 116 21.806 6.602 19.810 1.00 21.12 H new ATOM 1292 N VAL A 117 20.056 5.108 24.225 1.00 33.52 N ATOM 1293 CA VAL A 117 18.988 5.136 25.233 1.00 22.54 C ATOM 1294 C VAL A 117 19.530 5.395 26.655 1.00 33.24 C ATOM 1295 O VAL A 117 20.098 4.514 27.302 1.00 22.24 O ATOM 1296 CB VAL A 117 18.156 3.825 25.204 1.00 53.41 C ATOM 1297 CG1 VAL A 117 17.338 3.738 23.914 1.00 54.02 C ATOM 1298 CG2 VAL A 117 19.059 2.597 25.342 1.00 64.14 C ATOM 0 H VAL A 117 20.099 4.241 23.689 1.00 33.52 H new ATOM 0 HA VAL A 117 18.337 5.971 24.973 1.00 22.54 H new ATOM 0 HB VAL A 117 17.473 3.842 26.053 1.00 53.41 H new ATOM 0 HG11 VAL A 117 16.761 2.813 23.911 1.00 54.02 H new ATOM 0 HG12 VAL A 117 16.659 4.589 23.855 1.00 54.02 H new ATOM 0 HG13 VAL A 117 18.010 3.750 23.056 1.00 54.02 H new ATOM 0 HG21 VAL A 117 18.450 1.693 25.319 1.00 64.14 H new ATOM 0 HG22 VAL A 117 19.772 2.575 24.518 1.00 64.14 H new ATOM 0 HG23 VAL A 117 19.599 2.647 26.288 1.00 64.14 H new ATOM 1308 N VAL A 118 19.345 6.622 27.132 1.00 14.04 N ATOM 1309 CA VAL A 118 19.867 7.039 28.437 1.00 13.31 C ATOM 1310 C VAL A 118 18.737 7.417 29.412 1.00 41.04 C ATOM 1311 O VAL A 118 17.668 7.883 29.005 1.00 41.33 O ATOM 1312 CB VAL A 118 20.839 8.239 28.285 1.00 34.42 C ATOM 1313 CG1 VAL A 118 20.123 9.458 27.701 1.00 41.01 C ATOM 1314 CG2 VAL A 118 21.506 8.584 29.618 1.00 62.24 C ATOM 0 H VAL A 118 18.835 7.352 26.634 1.00 14.04 H new ATOM 0 HA VAL A 118 20.406 6.186 28.849 1.00 13.31 H new ATOM 0 HB VAL A 118 21.622 7.943 27.587 1.00 34.42 H new ATOM 0 HG11 VAL A 118 20.829 10.283 27.606 1.00 41.01 H new ATOM 0 HG12 VAL A 118 19.722 9.208 26.719 1.00 41.01 H new ATOM 0 HG13 VAL A 118 19.308 9.752 28.362 1.00 41.01 H new ATOM 0 HG21 VAL A 118 22.181 9.428 29.479 1.00 62.24 H new ATOM 0 HG22 VAL A 118 20.742 8.847 30.350 1.00 62.24 H new ATOM 0 HG23 VAL A 118 22.071 7.723 29.976 1.00 62.24 H new ATOM 1324 N GLU A 119 18.985 7.188 30.697 1.00 53.44 N ATOM 1325 CA GLU A 119 18.071 7.589 31.771 1.00 21.44 C ATOM 1326 C GLU A 119 18.873 7.864 33.055 1.00 64.31 C ATOM 1327 O GLU A 119 20.048 7.495 33.144 1.00 25.12 O ATOM 1328 CB GLU A 119 17.022 6.490 32.024 1.00 62.41 C ATOM 1329 CG GLU A 119 15.960 6.869 33.055 1.00 42.42 C ATOM 1330 CD GLU A 119 15.008 5.729 33.375 1.00 25.42 C ATOM 1331 OE1 GLU A 119 15.377 4.856 34.187 1.00 14.22 O ATOM 1332 OE2 GLU A 119 13.889 5.699 32.811 1.00 74.40 O ATOM 0 H GLU A 119 19.827 6.718 31.029 1.00 53.44 H new ATOM 0 HA GLU A 119 17.550 8.498 31.472 1.00 21.44 H new ATOM 0 HB2 GLU A 119 16.529 6.249 31.082 1.00 62.41 H new ATOM 0 HB3 GLU A 119 17.531 5.586 32.358 1.00 62.41 H new ATOM 0 HG2 GLU A 119 16.452 7.193 33.972 1.00 42.42 H new ATOM 0 HG3 GLU A 119 15.388 7.719 32.683 1.00 42.42 H new ATOM 1339 N ILE A 120 18.248 8.517 34.037 1.00 71.31 N ATOM 1340 CA ILE A 120 18.907 8.800 35.319 1.00 13.10 C ATOM 1341 C ILE A 120 19.447 7.511 35.965 1.00 61.21 C ATOM 1342 O ILE A 120 18.719 6.777 36.639 1.00 54.10 O ATOM 1343 CB ILE A 120 17.948 9.510 36.312 1.00 70.32 C ATOM 1344 CG1 ILE A 120 17.367 10.792 35.686 1.00 24.31 C ATOM 1345 CG2 ILE A 120 18.669 9.829 37.623 1.00 43.13 C ATOM 1346 CD1 ILE A 120 18.407 11.840 35.346 1.00 24.44 C ATOM 0 H ILE A 120 17.290 8.860 33.972 1.00 71.31 H new ATOM 0 HA ILE A 120 19.741 9.467 35.102 1.00 13.10 H new ATOM 0 HB ILE A 120 17.122 8.833 36.531 1.00 70.32 H new ATOM 0 HG12 ILE A 120 16.824 10.527 34.779 1.00 24.31 H new ATOM 0 HG13 ILE A 120 16.643 11.225 36.376 1.00 24.31 H new ATOM 0 HG21 ILE A 120 17.980 10.326 38.306 1.00 43.13 H new ATOM 0 HG22 ILE A 120 19.025 8.904 38.077 1.00 43.13 H new ATOM 0 HG23 ILE A 120 19.517 10.484 37.422 1.00 43.13 H new ATOM 0 HD11 ILE A 120 17.917 12.711 34.910 1.00 24.44 H new ATOM 0 HD12 ILE A 120 18.935 12.136 36.253 1.00 24.44 H new ATOM 0 HD13 ILE A 120 19.118 11.428 34.630 1.00 24.44 H new ATOM 1358 N ILE A 121 20.722 7.230 35.717 1.00 72.41 N ATOM 1359 CA ILE A 121 21.381 6.038 36.236 1.00 51.14 C ATOM 1360 C ILE A 121 22.228 6.353 37.482 1.00 35.45 C ATOM 1361 O ILE A 121 22.451 5.481 38.324 1.00 41.13 O ATOM 1362 CB ILE A 121 22.275 5.396 35.142 1.00 45.21 C ATOM 1363 CG1 ILE A 121 22.947 4.121 35.671 1.00 44.41 C ATOM 1364 CG2 ILE A 121 23.316 6.393 34.634 1.00 24.21 C ATOM 1365 CD1 ILE A 121 23.777 3.386 34.637 1.00 13.22 C ATOM 0 H ILE A 121 21.328 7.823 35.150 1.00 72.41 H new ATOM 0 HA ILE A 121 20.601 5.334 36.527 1.00 51.14 H new ATOM 0 HB ILE A 121 21.639 5.120 34.301 1.00 45.21 H new ATOM 0 HG12 ILE A 121 23.585 4.383 36.515 1.00 44.41 H new ATOM 0 HG13 ILE A 121 22.178 3.448 36.050 1.00 44.41 H new ATOM 0 HG21 ILE A 121 23.930 5.919 33.868 1.00 24.21 H new ATOM 0 HG22 ILE A 121 22.812 7.261 34.209 1.00 24.21 H new ATOM 0 HG23 ILE A 121 23.950 6.711 35.462 1.00 24.21 H new ATOM 0 HD11 ILE A 121 24.218 2.497 35.089 1.00 13.22 H new ATOM 0 HD12 ILE A 121 23.141 3.091 33.803 1.00 13.22 H new ATOM 0 HD13 ILE A 121 24.570 4.040 34.275 1.00 13.22 H new ATOM 1377 N ASN A 122 22.688 7.606 37.590 1.00 53.42 N ATOM 1378 CA ASN A 122 23.536 8.061 38.711 1.00 71.51 C ATOM 1379 C ASN A 122 24.957 7.464 38.638 1.00 53.42 C ATOM 1380 O ASN A 122 25.936 8.194 38.491 1.00 14.34 O ATOM 1381 CB ASN A 122 22.882 7.730 40.066 1.00 61.14 C ATOM 1382 CG ASN A 122 23.706 8.208 41.253 1.00 42.14 C ATOM 1383 OD1 ASN A 122 24.389 9.223 41.184 1.00 52.20 O ATOM 1384 ND2 ASN A 122 23.669 7.464 42.341 1.00 52.00 N ATOM 0 H ASN A 122 22.486 8.336 36.906 1.00 53.42 H new ATOM 0 HA ASN A 122 23.628 9.144 38.624 1.00 71.51 H new ATOM 0 HB2 ASN A 122 21.894 8.188 40.108 1.00 61.14 H new ATOM 0 HB3 ASN A 122 22.738 6.652 40.141 1.00 61.14 H new ATOM 0 HD21 ASN A 122 24.220 7.728 43.158 1.00 52.00 H new ATOM 0 HD22 ASN A 122 23.090 6.625 42.366 1.00 52.00 H new ATOM 1391 N SER A 123 25.056 6.138 38.730 1.00 32.34 N ATOM 1392 CA SER A 123 26.350 5.427 38.701 1.00 44.21 C ATOM 1393 C SER A 123 27.308 5.949 37.615 1.00 24.13 C ATOM 1394 O SER A 123 28.465 6.266 37.897 1.00 12.03 O ATOM 1395 CB SER A 123 26.121 3.930 38.475 1.00 4.22 C ATOM 1396 OG SER A 123 27.345 3.257 38.229 1.00 2.12 O ATOM 0 H SER A 123 24.249 5.521 38.827 1.00 32.34 H new ATOM 0 HA SER A 123 26.818 5.609 39.668 1.00 44.21 H new ATOM 0 HB2 SER A 123 25.634 3.498 39.349 1.00 4.22 H new ATOM 0 HB3 SER A 123 25.447 3.786 37.631 1.00 4.22 H new ATOM 0 HG SER A 123 27.171 2.303 38.090 1.00 2.12 H new ATOM 1402 N GLU A 124 26.826 6.030 36.375 1.00 23.43 N ATOM 1403 CA GLU A 124 27.663 6.457 35.241 1.00 43.03 C ATOM 1404 C GLU A 124 28.192 7.895 35.407 1.00 35.45 C ATOM 1405 O GLU A 124 29.201 8.269 34.807 1.00 31.35 O ATOM 1406 CB GLU A 124 26.879 6.326 33.925 1.00 1.02 C ATOM 1407 CG GLU A 124 27.683 6.692 32.677 1.00 64.24 C ATOM 1408 CD GLU A 124 26.943 6.377 31.388 1.00 50.34 C ATOM 1409 OE1 GLU A 124 26.011 7.128 31.029 1.00 10.31 O ATOM 1410 OE2 GLU A 124 27.277 5.370 30.733 1.00 51.14 O ATOM 0 H GLU A 124 25.863 5.807 36.125 1.00 23.43 H new ATOM 0 HA GLU A 124 28.531 5.798 35.215 1.00 43.03 H new ATOM 0 HB2 GLU A 124 26.524 5.300 33.827 1.00 1.02 H new ATOM 0 HB3 GLU A 124 25.997 6.965 33.975 1.00 1.02 H new ATOM 0 HG2 GLU A 124 27.922 7.755 32.703 1.00 64.24 H new ATOM 0 HG3 GLU A 124 28.630 6.152 32.689 1.00 64.24 H new ATOM 1417 N ALA A 125 27.521 8.693 36.233 1.00 11.43 N ATOM 1418 CA ALA A 125 27.934 10.079 36.480 1.00 60.13 C ATOM 1419 C ALA A 125 29.065 10.163 37.523 1.00 63.11 C ATOM 1420 O ALA A 125 29.747 11.183 37.629 1.00 53.00 O ATOM 1421 CB ALA A 125 26.738 10.913 36.932 1.00 31.14 C ATOM 0 H ALA A 125 26.687 8.407 36.745 1.00 11.43 H new ATOM 0 HA ALA A 125 28.320 10.480 35.542 1.00 60.13 H new ATOM 0 HB1 ALA A 125 27.057 11.939 37.112 1.00 31.14 H new ATOM 0 HB2 ALA A 125 25.973 10.902 36.156 1.00 31.14 H new ATOM 0 HB3 ALA A 125 26.329 10.494 37.851 1.00 31.14 H new ATOM 1427 N ALA A 126 29.267 9.086 38.283 1.00 62.03 N ATOM 1428 CA ALA A 126 30.276 9.063 39.356 1.00 24.41 C ATOM 1429 C ALA A 126 31.659 8.594 38.860 1.00 41.13 C ATOM 1430 O ALA A 126 32.574 8.383 39.659 1.00 41.34 O ATOM 1431 CB ALA A 126 29.796 8.169 40.496 1.00 35.11 C ATOM 0 H ALA A 126 28.747 8.215 38.179 1.00 62.03 H new ATOM 0 HA ALA A 126 30.396 10.087 39.711 1.00 24.41 H new ATOM 0 HB1 ALA A 126 30.545 8.155 41.287 1.00 35.11 H new ATOM 0 HB2 ALA A 126 28.857 8.557 40.892 1.00 35.11 H new ATOM 0 HB3 ALA A 126 29.642 7.156 40.124 1.00 35.11 H new ATOM 1437 N VAL A 127 31.812 8.431 37.546 1.00 32.34 N ATOM 1438 CA VAL A 127 33.091 8.000 36.960 1.00 13.35 C ATOM 1439 C VAL A 127 34.031 9.201 36.717 1.00 55.41 C ATOM 1440 O VAL A 127 33.575 10.334 36.561 1.00 74.34 O ATOM 1441 CB VAL A 127 32.867 7.232 35.627 1.00 65.15 C ATOM 1442 CG1 VAL A 127 32.338 8.164 34.539 1.00 4.04 C ATOM 1443 CG2 VAL A 127 34.151 6.529 35.175 1.00 62.52 C ATOM 0 H VAL A 127 31.070 8.589 36.864 1.00 32.34 H new ATOM 0 HA VAL A 127 33.562 7.329 37.678 1.00 13.35 H new ATOM 0 HB VAL A 127 32.112 6.466 35.805 1.00 65.15 H new ATOM 0 HG11 VAL A 127 32.190 7.601 33.618 1.00 4.04 H new ATOM 0 HG12 VAL A 127 31.388 8.593 34.858 1.00 4.04 H new ATOM 0 HG13 VAL A 127 33.057 8.964 34.364 1.00 4.04 H new ATOM 0 HG21 VAL A 127 33.966 5.999 34.240 1.00 62.52 H new ATOM 0 HG22 VAL A 127 34.937 7.269 35.024 1.00 62.52 H new ATOM 0 HG23 VAL A 127 34.465 5.818 35.939 1.00 62.52 H new ATOM 1453 N LEU A 128 35.341 8.948 36.697 1.00 1.44 N ATOM 1454 CA LEU A 128 36.340 10.011 36.488 1.00 24.53 C ATOM 1455 C LEU A 128 36.248 10.612 35.070 1.00 51.12 C ATOM 1456 O LEU A 128 36.428 9.910 34.074 1.00 35.25 O ATOM 1457 CB LEU A 128 37.755 9.461 36.734 1.00 53.13 C ATOM 1458 CG LEU A 128 38.011 8.916 38.151 1.00 10.11 C ATOM 1459 CD1 LEU A 128 39.434 8.377 38.275 1.00 43.14 C ATOM 1460 CD2 LEU A 128 37.742 9.992 39.206 1.00 51.12 C ATOM 0 H LEU A 128 35.740 8.018 36.823 1.00 1.44 H new ATOM 0 HA LEU A 128 36.129 10.808 37.201 1.00 24.53 H new ATOM 0 HB2 LEU A 128 37.947 8.664 36.016 1.00 53.13 H new ATOM 0 HB3 LEU A 128 38.475 10.253 36.531 1.00 53.13 H new ATOM 0 HG LEU A 128 37.320 8.092 38.327 1.00 10.11 H new ATOM 0 HD11 LEU A 128 39.593 7.997 39.284 1.00 43.14 H new ATOM 0 HD12 LEU A 128 39.582 7.571 37.557 1.00 43.14 H new ATOM 0 HD13 LEU A 128 40.145 9.178 38.073 1.00 43.14 H new ATOM 0 HD21 LEU A 128 37.930 9.583 40.199 1.00 51.12 H new ATOM 0 HD22 LEU A 128 38.401 10.843 39.034 1.00 51.12 H new ATOM 0 HD23 LEU A 128 36.704 10.317 39.138 1.00 51.12 H new ATOM 1472 N GLU A 129 35.969 11.916 34.988 1.00 72.22 N ATOM 1473 CA GLU A 129 35.808 12.603 33.697 1.00 53.31 C ATOM 1474 C GLU A 129 36.579 13.941 33.693 1.00 41.30 C ATOM 1475 O GLU A 129 36.578 14.672 34.687 1.00 4.13 O ATOM 1476 CB GLU A 129 34.305 12.825 33.430 1.00 60.41 C ATOM 1477 CG GLU A 129 33.918 12.999 31.957 1.00 22.44 C ATOM 1478 CD GLU A 129 34.297 14.354 31.375 1.00 1.40 C ATOM 1479 OE1 GLU A 129 33.698 15.368 31.788 1.00 42.42 O ATOM 1480 OE2 GLU A 129 35.190 14.406 30.503 1.00 32.40 O ATOM 0 H GLU A 129 35.849 12.521 35.801 1.00 72.22 H new ATOM 0 HA GLU A 129 36.223 11.986 32.900 1.00 53.31 H new ATOM 0 HB2 GLU A 129 33.752 11.978 33.836 1.00 60.41 H new ATOM 0 HB3 GLU A 129 33.982 13.709 33.980 1.00 60.41 H new ATOM 0 HG2 GLU A 129 34.398 12.216 31.371 1.00 22.44 H new ATOM 0 HG3 GLU A 129 32.842 12.859 31.855 1.00 22.44 H new ATOM 1487 N HIS A 130 37.232 14.259 32.572 1.00 42.52 N ATOM 1488 CA HIS A 130 38.059 15.471 32.461 1.00 42.23 C ATOM 1489 C HIS A 130 37.728 16.274 31.187 1.00 43.21 C ATOM 1490 O HIS A 130 38.333 16.074 30.134 1.00 71.35 O ATOM 1491 CB HIS A 130 39.550 15.093 32.493 1.00 71.34 C ATOM 1492 CG HIS A 130 39.919 13.973 31.555 1.00 23.41 C ATOM 1493 ND1 HIS A 130 39.959 12.650 31.945 1.00 10.11 N ATOM 1494 CD2 HIS A 130 40.262 13.979 30.243 1.00 54.11 C ATOM 1495 CE1 HIS A 130 40.305 11.898 30.919 1.00 22.02 C ATOM 1496 NE2 HIS A 130 40.494 12.675 29.876 1.00 61.21 N ATOM 0 H HIS A 130 37.206 13.694 31.723 1.00 42.52 H new ATOM 0 HA HIS A 130 37.834 16.112 33.314 1.00 42.23 H new ATOM 0 HB2 HIS A 130 40.143 15.973 32.243 1.00 71.34 H new ATOM 0 HB3 HIS A 130 39.820 14.806 33.509 1.00 71.34 H new ATOM 0 HD2 HIS A 130 40.339 14.847 29.605 1.00 54.11 H new ATOM 0 HE1 HIS A 130 40.415 10.824 30.933 1.00 22.02 H new ATOM 0 HE2 HIS A 130 40.768 12.361 28.945 1.00 61.21 H new ATOM 1505 N HIS A 131 36.771 17.191 31.286 1.00 23.35 N ATOM 1506 CA HIS A 131 36.312 17.955 30.119 1.00 25.43 C ATOM 1507 C HIS A 131 37.091 19.275 29.948 1.00 61.24 C ATOM 1508 O HIS A 131 36.514 20.363 30.004 1.00 20.23 O ATOM 1509 CB HIS A 131 34.805 18.223 30.232 1.00 54.34 C ATOM 1510 CG HIS A 131 34.207 18.866 29.018 1.00 33.43 C ATOM 1511 ND1 HIS A 131 33.630 20.117 29.035 1.00 40.14 N ATOM 1512 CD2 HIS A 131 34.093 18.426 27.744 1.00 70.11 C ATOM 1513 CE1 HIS A 131 33.190 20.414 27.831 1.00 62.44 C ATOM 1514 NE2 HIS A 131 33.458 19.408 27.028 1.00 0.24 N ATOM 0 H HIS A 131 36.296 17.427 32.157 1.00 23.35 H new ATOM 0 HA HIS A 131 36.505 17.356 29.229 1.00 25.43 H new ATOM 0 HB2 HIS A 131 34.292 17.280 30.421 1.00 54.34 H new ATOM 0 HB3 HIS A 131 34.624 18.863 31.096 1.00 54.34 H new ATOM 0 HD2 HIS A 131 34.438 17.477 27.362 1.00 70.11 H new ATOM 0 HE1 HIS A 131 32.692 21.330 27.550 1.00 62.44 H new ATOM 0 HE2 HIS A 131 33.231 19.365 26.035 1.00 0.24 H new ATOM 1523 N HIS A 132 38.402 19.166 29.734 1.00 4.13 N ATOM 1524 CA HIS A 132 39.247 20.338 29.461 1.00 65.33 C ATOM 1525 C HIS A 132 40.649 19.907 28.994 1.00 44.11 C ATOM 1526 O HIS A 132 41.657 20.192 29.643 1.00 23.11 O ATOM 1527 CB HIS A 132 39.339 21.242 30.703 1.00 45.15 C ATOM 1528 CG HIS A 132 40.043 22.546 30.461 1.00 2.34 C ATOM 1529 ND1 HIS A 132 41.078 23.000 31.249 1.00 34.11 N ATOM 1530 CD2 HIS A 132 39.849 23.500 29.519 1.00 12.05 C ATOM 1531 CE1 HIS A 132 41.490 24.169 30.805 1.00 20.12 C ATOM 1532 NE2 HIS A 132 40.765 24.495 29.757 1.00 75.31 N ATOM 0 H HIS A 132 38.906 18.279 29.744 1.00 4.13 H new ATOM 0 HA HIS A 132 38.785 20.910 28.656 1.00 65.33 H new ATOM 0 HB2 HIS A 132 38.332 21.447 31.065 1.00 45.15 H new ATOM 0 HB3 HIS A 132 39.859 20.702 31.494 1.00 45.15 H new ATOM 0 HD2 HIS A 132 39.112 23.482 28.729 1.00 12.05 H new ATOM 0 HE1 HIS A 132 42.288 24.760 31.229 1.00 20.12 H new ATOM 0 HE2 HIS A 132 40.867 25.349 29.209 1.00 75.31 H new ATOM 1541 N HIS A 133 40.703 19.219 27.856 1.00 63.22 N ATOM 1542 CA HIS A 133 41.970 18.702 27.315 1.00 14.22 C ATOM 1543 C HIS A 133 42.684 19.732 26.423 1.00 4.24 C ATOM 1544 O HIS A 133 42.187 20.834 26.198 1.00 72.15 O ATOM 1545 CB HIS A 133 41.720 17.412 26.517 1.00 14.24 C ATOM 1546 CG HIS A 133 40.747 17.566 25.379 1.00 3.23 C ATOM 1547 ND1 HIS A 133 39.611 16.799 25.260 1.00 45.15 N ATOM 1548 CD2 HIS A 133 40.748 18.390 24.302 1.00 75.44 C ATOM 1549 CE1 HIS A 133 38.957 17.142 24.173 1.00 3.22 C ATOM 1550 NE2 HIS A 133 39.623 18.101 23.572 1.00 31.30 N ATOM 0 H HIS A 133 39.886 19.003 27.285 1.00 63.22 H new ATOM 0 HA HIS A 133 42.620 18.491 28.164 1.00 14.22 H new ATOM 0 HB2 HIS A 133 42.670 17.054 26.121 1.00 14.24 H new ATOM 0 HB3 HIS A 133 41.348 16.645 27.196 1.00 14.24 H new ATOM 0 HD2 HIS A 133 41.494 19.134 24.064 1.00 75.44 H new ATOM 0 HE1 HIS A 133 38.029 16.708 23.832 1.00 3.22 H new ATOM 0 HE2 HIS A 133 39.348 18.558 22.702 1.00 31.30 H new ATOM 1559 N HIS A 134 43.853 19.352 25.916 1.00 4.25 N ATOM 1560 CA HIS A 134 44.587 20.161 24.939 1.00 2.51 C ATOM 1561 C HIS A 134 44.434 19.555 23.533 1.00 25.52 C ATOM 1562 O HIS A 134 43.519 18.765 23.293 1.00 72.33 O ATOM 1563 CB HIS A 134 46.068 20.246 25.340 1.00 63.24 C ATOM 1564 CG HIS A 134 46.281 20.857 26.692 1.00 53.03 C ATOM 1565 ND1 HIS A 134 46.566 20.117 27.820 1.00 22.42 N ATOM 1566 CD2 HIS A 134 46.242 22.149 27.099 1.00 61.33 C ATOM 1567 CE1 HIS A 134 46.688 20.920 28.857 1.00 35.04 C ATOM 1568 NE2 HIS A 134 46.498 22.154 28.447 1.00 65.54 N ATOM 0 H HIS A 134 44.319 18.480 26.167 1.00 4.25 H new ATOM 0 HA HIS A 134 44.175 21.170 24.923 1.00 2.51 H new ATOM 0 HB2 HIS A 134 46.498 19.245 25.329 1.00 63.24 H new ATOM 0 HB3 HIS A 134 46.606 20.832 24.595 1.00 63.24 H new ATOM 0 HD2 HIS A 134 46.046 23.012 26.479 1.00 61.33 H new ATOM 0 HE1 HIS A 134 46.907 20.616 29.870 1.00 35.04 H new ATOM 0 HE2 HIS A 134 46.535 22.985 29.038 1.00 65.54 H new ATOM 1577 N HIS A 135 45.310 19.933 22.603 1.00 15.03 N ATOM 1578 CA HIS A 135 45.259 19.388 21.236 1.00 31.23 C ATOM 1579 C HIS A 135 45.581 17.876 21.205 1.00 43.42 C ATOM 1580 O HIS A 135 44.645 17.066 21.023 1.00 37.99 O ATOM 1581 CB HIS A 135 46.218 20.152 20.312 1.00 72.23 C ATOM 1582 CG HIS A 135 46.093 19.754 18.869 1.00 10.21 C ATOM 1583 ND1 HIS A 135 45.127 20.267 18.031 1.00 34.25 N ATOM 1584 CD2 HIS A 135 46.811 18.884 18.117 1.00 44.42 C ATOM 1585 CE1 HIS A 135 45.252 19.732 16.835 1.00 54.21 C ATOM 1586 NE2 HIS A 135 46.264 18.891 16.858 1.00 2.22 N ATOM 1587 OXT HIS A 135 46.767 17.511 21.366 1.00 37.99 O ATOM 0 H HIS A 135 46.059 20.607 22.763 1.00 15.03 H new ATOM 0 HA HIS A 135 44.239 19.518 20.876 1.00 31.23 H new ATOM 0 HB2 HIS A 135 46.027 21.221 20.405 1.00 72.23 H new ATOM 0 HB3 HIS A 135 47.243 19.981 20.642 1.00 72.23 H new ATOM 0 HD2 HIS A 135 47.655 18.296 18.447 1.00 44.42 H new ATOM 0 HE1 HIS A 135 44.629 19.947 15.979 1.00 54.21 H new ATOM 0 HE2 HIS A 135 46.589 18.334 16.068 1.00 2.22 H new TER 1596 HIS A 135