USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1082 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 100 SER OG : rot 180:sc=0.000334 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 111 ASN : amide:sc= -0.293 X(o=-0.29,f=0.064) USER MOD Set 2.1: A 1 MET CE :methyl 178:sc= -0.199 (180deg=-0.129) USER MOD Set 2.2: A 89 ASN : amide:sc=-0.00486 X(o=-0.2,f=-0.45) USER MOD Set 3.1: A 81 THR OG1 : rot -134:sc= 0.658 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0.597 USER MOD Set 4.1: A 19 MET CE :methyl -151:sc= -0.0109 (180deg=-0.977) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 47 HIS : no HE2:sc= 0.0773 X(o=0.12,f=-0.22) USER MOD Set 5.2: A 64 THR OG1 : rot -12:sc= 0.0456 USER MOD Set 6.1: A 39 SER OG : rot 130:sc=-0.00857 USER MOD Set 6.2: A 124 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 31 LYS NZ :NH3+ -162:sc= -0.0173 (180deg=-0.221) USER MOD Set 7.2: A 56 SER OG : rot -40:sc= 0.166 USER MOD Set 8.1: A -4 HIS : no HE2:sc= 0.574 K(o=1.2,f=-0.72) USER MOD Set 8.2: A -6 HIS : no HE2:sc= 0.663 K(o=1.2,f=-3.9!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 1:sc= 0.454 USER MOD Single : A 8 GLN : amide:sc= 0.0015 X(o=0.0015,f=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.0584 X(o=-0.058,f=-0.058) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HE2:sc= 0.139 K(o=0.14,f=-1) USER MOD Single : A -7 HIS : no HD1:sc= 0.0177 K(o=0.018,f=-0.9) USER MOD Single : A -7 HIS N :NH3+ -179:sc= 0.0147 (180deg=0.0113) USER MOD Single : A 10 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.54) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.083 K(o=0.083,f=-2.1) USER MOD Single : A 14 ASN : amide:sc= 0.447 K(o=0.45,f=-0.75) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= -0.101 (180deg=-0.198) USER MOD Single : A 30 GLN : amide:sc= 0.382 K(o=0.38,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 0.764 (180deg=0.239) USER MOD Single : A 43 GLN : amide:sc= 0.00683 K(o=0.0068,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.37) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 136:sc= 0.0251 USER MOD Single : A 53 THR OG1 : rot 43:sc= 1.05 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.08) USER MOD Single : A 60 GLN : amide:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.00273 X(o=0.0027,f=0) USER MOD Single : A 69 CYS SG : rot 16:sc= -0.47 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 179:sc= 0.896 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.255 (180deg=0.0349) USER MOD Single : A 84 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.65) USER MOD Single : A 90 LYS NZ :NH3+ -125:sc= 0.131 (180deg=-0.113) USER MOD Single : A 94 THR OG1 : rot 40:sc= 0.298 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -134:sc= -0.219 (180deg=-0.286) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.826) USER MOD Single : A 125 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0326) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 10.423 -28.413 -9.670 1.00 21.13 N ATOM 2 CA HIS A -7 9.609 -29.246 -10.617 1.00 50.05 C ATOM 3 C HIS A -7 8.290 -29.627 -9.917 1.00 12.24 C ATOM 4 O HIS A -7 7.249 -29.585 -10.572 1.00 44.41 O ATOM 5 CB HIS A -7 10.389 -30.489 -11.117 1.00 43.24 C ATOM 6 CG HIS A -7 11.507 -30.278 -12.114 1.00 50.05 C ATOM 7 ND1 HIS A -7 12.394 -29.212 -12.088 1.00 22.34 N ATOM 8 CD2 HIS A -7 11.881 -31.034 -13.206 1.00 44.12 C ATOM 9 CE1 HIS A -7 13.232 -29.367 -13.115 1.00 43.51 C ATOM 10 NE2 HIS A -7 12.982 -30.452 -13.838 1.00 41.52 N ATOM 0 H1 HIS A -7 11.311 -28.131 -10.131 1.00 21.13 H new ATOM 0 H2 HIS A -7 9.885 -27.563 -9.405 1.00 21.13 H new ATOM 0 H3 HIS A -7 10.637 -28.967 -8.816 1.00 21.13 H new ATOM 0 HA HIS A -7 9.386 -28.666 -11.513 1.00 50.05 H new ATOM 0 HB2 HIS A -7 10.810 -30.990 -10.246 1.00 43.24 H new ATOM 0 HB3 HIS A -7 9.670 -31.176 -11.563 1.00 43.24 H new ATOM 0 HD2 HIS A -7 11.393 -31.943 -13.525 1.00 44.12 H new ATOM 0 HE1 HIS A -7 14.034 -28.678 -13.336 1.00 43.51 H new ATOM 0 HE2 HIS A -7 13.479 -30.784 -14.664 1.00 41.52 H new ATOM 18 N HIS A -6 8.353 -30.087 -8.652 1.00 75.54 N ATOM 19 CA HIS A -6 7.191 -30.491 -7.861 1.00 24.24 C ATOM 20 C HIS A -6 6.378 -29.278 -7.394 1.00 55.13 C ATOM 21 O HIS A -6 6.946 -28.216 -7.130 1.00 41.10 O ATOM 22 CB HIS A -6 7.644 -31.353 -6.668 1.00 65.50 C ATOM 23 CG HIS A -6 7.996 -32.767 -7.058 1.00 45.11 C ATOM 24 ND1 HIS A -6 7.106 -33.818 -6.921 1.00 42.44 N ATOM 25 CD2 HIS A -6 9.146 -33.321 -7.576 1.00 31.02 C ATOM 26 CE1 HIS A -6 7.723 -34.918 -7.360 1.00 14.24 C ATOM 27 NE2 HIS A -6 8.962 -34.692 -7.775 1.00 3.00 N ATOM 0 H HIS A -6 9.234 -30.187 -8.148 1.00 75.54 H new ATOM 0 HA HIS A -6 6.535 -31.088 -8.494 1.00 24.24 H new ATOM 0 HB2 HIS A -6 8.510 -30.886 -6.198 1.00 65.50 H new ATOM 0 HB3 HIS A -6 6.850 -31.376 -5.922 1.00 65.50 H new ATOM 0 HD1 HIS A -6 6.156 -33.763 -6.553 1.00 42.44 H new ATOM 0 HD2 HIS A -6 10.053 -32.778 -7.795 1.00 31.02 H new ATOM 0 HE1 HIS A -6 7.260 -35.893 -7.375 1.00 14.24 H new ATOM 35 N HIS A -5 5.056 -29.477 -7.310 1.00 22.14 N ATOM 36 CA HIS A -5 4.092 -28.444 -6.946 1.00 60.41 C ATOM 37 C HIS A -5 2.801 -29.094 -6.435 1.00 3.35 C ATOM 38 O HIS A -5 2.389 -28.786 -5.318 1.00 20.35 O ATOM 39 CB HIS A -5 3.855 -27.448 -8.111 1.00 1.11 C ATOM 40 CG HIS A -5 3.430 -28.045 -9.436 1.00 33.10 C ATOM 41 ND1 HIS A -5 4.308 -28.677 -10.303 1.00 64.31 N ATOM 42 CD2 HIS A -5 2.201 -28.098 -10.057 1.00 1.15 C ATOM 43 CE1 HIS A -5 3.600 -29.080 -11.360 1.00 61.44 C ATOM 44 NE2 HIS A -5 2.312 -28.768 -11.277 1.00 42.43 N ATOM 0 H HIS A -5 4.623 -30.381 -7.498 1.00 22.14 H new ATOM 0 HA HIS A -5 4.500 -27.846 -6.131 1.00 60.41 H new ATOM 0 HB2 HIS A -5 3.093 -26.734 -7.799 1.00 1.11 H new ATOM 0 HB3 HIS A -5 4.774 -26.885 -8.270 1.00 1.11 H new ATOM 0 HD1 HIS A -5 5.309 -28.809 -10.160 1.00 64.31 H new ATOM 0 HD2 HIS A -5 1.287 -27.683 -9.659 1.00 1.15 H new ATOM 0 HE1 HIS A -5 4.031 -29.607 -12.198 1.00 61.44 H new ATOM 52 N HIS A -4 2.196 -29.977 -7.256 1.00 23.42 N ATOM 53 CA HIS A -4 0.947 -30.728 -7.019 1.00 64.23 C ATOM 54 C HIS A -4 -0.339 -29.869 -6.987 1.00 70.33 C ATOM 55 O HIS A -4 -1.433 -30.418 -7.112 1.00 61.43 O ATOM 56 CB HIS A -4 1.066 -31.628 -5.766 1.00 61.11 C ATOM 57 CG HIS A -4 2.254 -32.561 -5.793 1.00 51.40 C ATOM 58 ND1 HIS A -4 2.223 -33.799 -6.410 1.00 43.21 N ATOM 59 CD2 HIS A -4 3.529 -32.435 -5.282 1.00 12.12 C ATOM 60 CE1 HIS A -4 3.432 -34.345 -6.263 1.00 24.10 C ATOM 61 NE2 HIS A -4 4.281 -33.571 -5.596 1.00 54.41 N ATOM 0 H HIS A -4 2.597 -30.199 -8.167 1.00 23.42 H new ATOM 0 HA HIS A -4 0.827 -31.361 -7.898 1.00 64.23 H new ATOM 0 HB2 HIS A -4 1.134 -30.995 -4.881 1.00 61.11 H new ATOM 0 HB3 HIS A -4 0.155 -32.218 -5.667 1.00 61.11 H new ATOM 0 HD1 HIS A -4 1.425 -34.217 -6.888 1.00 43.21 H new ATOM 0 HD2 HIS A -4 3.892 -31.585 -4.723 1.00 12.12 H new ATOM 0 HE1 HIS A -4 3.694 -35.319 -6.648 1.00 24.10 H new ATOM 69 N HIS A -3 -0.177 -28.548 -6.849 1.00 61.24 N ATOM 70 CA HIS A -3 -1.190 -27.502 -6.818 1.00 12.33 C ATOM 71 C HIS A -3 -0.475 -26.157 -7.031 1.00 34.40 C ATOM 72 O HIS A -3 0.726 -26.053 -6.769 1.00 33.02 O ATOM 73 CB HIS A -3 -1.967 -27.530 -5.477 1.00 62.21 C ATOM 74 CG HIS A -3 -1.130 -27.429 -4.219 1.00 50.41 C ATOM 75 ND1 HIS A -3 -0.819 -28.527 -3.434 1.00 74.24 N ATOM 76 CD2 HIS A -3 -0.550 -26.351 -3.586 1.00 21.12 C ATOM 77 CE1 HIS A -3 -0.078 -28.086 -2.413 1.00 64.04 C ATOM 78 NE2 HIS A -3 0.128 -26.774 -2.441 1.00 43.44 N ATOM 0 H HIS A -3 0.758 -28.153 -6.747 1.00 61.24 H new ATOM 0 HA HIS A -3 -1.927 -27.656 -7.606 1.00 12.33 H new ATOM 0 HB2 HIS A -3 -2.684 -26.709 -5.479 1.00 62.21 H new ATOM 0 HB3 HIS A -3 -2.542 -28.455 -5.433 1.00 62.21 H new ATOM 0 HD2 HIS A -3 -0.611 -25.328 -3.926 1.00 21.12 H new ATOM 0 HE1 HIS A -3 0.314 -28.732 -1.642 1.00 64.04 H new ATOM 0 HE2 HIS A -3 0.658 -26.207 -1.779 1.00 43.44 H new ATOM 86 N HIS A -2 -1.231 -25.137 -7.467 1.00 42.02 N ATOM 87 CA HIS A -2 -0.747 -23.756 -7.508 1.00 4.43 C ATOM 88 C HIS A -2 -0.779 -23.130 -6.101 1.00 54.24 C ATOM 89 O HIS A -2 -1.678 -23.431 -5.315 1.00 62.12 O ATOM 90 CB HIS A -2 -1.558 -22.931 -8.528 1.00 61.50 C ATOM 91 CG HIS A -2 -3.047 -22.840 -8.291 1.00 43.25 C ATOM 92 ND1 HIS A -2 -3.970 -23.552 -9.039 1.00 14.32 N ATOM 93 CD2 HIS A -2 -3.789 -22.087 -7.406 1.00 60.40 C ATOM 94 CE1 HIS A -2 -5.182 -23.221 -8.584 1.00 50.44 C ATOM 95 NE2 HIS A -2 -5.150 -22.342 -7.591 1.00 24.23 N ATOM 0 H HIS A -2 -2.189 -25.249 -7.798 1.00 42.02 H new ATOM 0 HA HIS A -2 0.291 -23.754 -7.840 1.00 4.43 H new ATOM 0 HB2 HIS A -2 -1.153 -21.919 -8.547 1.00 61.50 H new ATOM 0 HB3 HIS A -2 -1.396 -23.358 -9.518 1.00 61.50 H new ATOM 0 HD2 HIS A -2 -3.379 -21.402 -6.678 1.00 60.40 H new ATOM 0 HE1 HIS A -2 -6.098 -23.629 -8.985 1.00 50.44 H new ATOM 0 HE2 HIS A -2 -5.938 -21.944 -7.080 1.00 24.23 H new ATOM 103 N VAL A -1 0.207 -22.266 -5.832 1.00 15.23 N ATOM 104 CA VAL A -1 0.385 -21.558 -4.559 1.00 20.31 C ATOM 105 C VAL A -1 0.327 -20.022 -4.744 1.00 21.12 C ATOM 106 O VAL A -1 0.730 -19.293 -3.838 1.00 31.13 O ATOM 107 CB VAL A -1 1.744 -21.961 -3.901 1.00 12.52 C ATOM 108 CG1 VAL A -1 1.774 -23.451 -3.517 1.00 3.12 C ATOM 109 CG2 VAL A -1 2.992 -21.586 -4.728 1.00 64.25 C ATOM 0 H VAL A -1 0.926 -22.033 -6.517 1.00 15.23 H new ATOM 0 HA VAL A -1 -0.437 -21.849 -3.905 1.00 20.31 H new ATOM 0 HB VAL A -1 1.797 -21.361 -2.993 1.00 12.52 H new ATOM 0 HG11 VAL A -1 2.736 -23.690 -3.063 1.00 3.12 H new ATOM 0 HG12 VAL A -1 0.975 -23.660 -2.806 1.00 3.12 H new ATOM 0 HG13 VAL A -1 1.633 -24.060 -4.410 1.00 3.12 H new ATOM 0 HG21 VAL A -1 3.889 -21.903 -4.196 1.00 64.25 H new ATOM 0 HG22 VAL A -1 2.950 -22.084 -5.697 1.00 64.25 H new ATOM 0 HG23 VAL A -1 3.020 -20.506 -4.876 1.00 64.25 H new ATOM 119 N ALA A 0 -0.156 -19.565 -5.920 1.00 75.33 N ATOM 120 CA ALA A 0 -0.101 -18.190 -6.443 1.00 13.51 C ATOM 121 C ALA A 0 1.341 -17.753 -6.784 1.00 44.21 C ATOM 122 O ALA A 0 2.281 -18.522 -6.570 1.00 65.44 O ATOM 123 CB ALA A 0 -0.804 -17.197 -5.491 1.00 22.50 C ATOM 0 H ALA A 0 -0.626 -20.194 -6.571 1.00 75.33 H new ATOM 0 HA ALA A 0 -0.653 -18.180 -7.383 1.00 13.51 H new ATOM 0 HB1 ALA A 0 -0.745 -16.191 -5.907 1.00 22.50 H new ATOM 0 HB2 ALA A 0 -1.850 -17.482 -5.376 1.00 22.50 H new ATOM 0 HB3 ALA A 0 -0.313 -17.217 -4.518 1.00 22.50 H new ATOM 129 N MET A 1 1.506 -16.532 -7.324 1.00 24.02 N ATOM 130 CA MET A 1 2.836 -15.948 -7.540 1.00 5.22 C ATOM 131 C MET A 1 3.458 -15.436 -6.228 1.00 65.13 C ATOM 132 O MET A 1 2.742 -15.060 -5.296 1.00 4.04 O ATOM 133 CB MET A 1 2.808 -14.845 -8.614 1.00 54.13 C ATOM 134 CG MET A 1 2.580 -15.363 -10.043 1.00 75.42 C ATOM 135 SD MET A 1 3.451 -14.410 -11.322 1.00 35.22 S ATOM 136 CE MET A 1 2.513 -12.864 -11.319 1.00 62.22 C ATOM 0 H MET A 1 0.734 -15.934 -7.617 1.00 24.02 H new ATOM 0 HA MET A 1 3.475 -16.749 -7.911 1.00 5.22 H new ATOM 0 HB2 MET A 1 2.020 -14.133 -8.367 1.00 54.13 H new ATOM 0 HB3 MET A 1 3.751 -14.300 -8.583 1.00 54.13 H new ATOM 0 HG2 MET A 1 2.902 -16.403 -10.097 1.00 75.42 H new ATOM 0 HG3 MET A 1 1.511 -15.348 -10.258 1.00 75.42 H new ATOM 0 HE1 MET A 1 2.956 -12.168 -12.031 1.00 62.22 H new ATOM 0 HE2 MET A 1 1.480 -13.065 -11.603 1.00 62.22 H new ATOM 0 HE3 MET A 1 2.537 -12.426 -10.321 1.00 62.22 H new ATOM 146 N SER A 2 4.798 -15.460 -6.203 1.00 51.31 N ATOM 147 CA SER A 2 5.631 -15.179 -5.038 1.00 70.03 C ATOM 148 C SER A 2 5.961 -13.681 -4.962 1.00 64.11 C ATOM 149 O SER A 2 6.748 -13.184 -5.768 1.00 21.45 O ATOM 150 CB SER A 2 6.906 -16.035 -5.150 1.00 61.24 C ATOM 151 OG SER A 2 6.584 -17.406 -5.009 1.00 64.31 O ATOM 0 H SER A 2 5.349 -15.686 -7.031 1.00 51.31 H new ATOM 0 HA SER A 2 5.103 -15.433 -4.119 1.00 70.03 H new ATOM 0 HB2 SER A 2 7.386 -15.863 -6.114 1.00 61.24 H new ATOM 0 HB3 SER A 2 7.620 -15.740 -4.381 1.00 61.24 H new ATOM 0 HG SER A 2 7.400 -17.943 -5.083 1.00 64.31 H new ATOM 157 N PHE A 3 5.327 -12.997 -4.000 1.00 51.23 N ATOM 158 CA PHE A 3 5.371 -11.548 -3.791 1.00 34.33 C ATOM 159 C PHE A 3 6.727 -10.938 -3.384 1.00 42.54 C ATOM 160 O PHE A 3 6.923 -9.745 -3.613 1.00 61.34 O ATOM 161 CB PHE A 3 4.288 -11.181 -2.759 1.00 42.50 C ATOM 162 CG PHE A 3 2.880 -11.065 -3.301 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.092 -12.218 -3.493 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.393 -9.812 -3.732 1.00 61.21 C ATOM 165 CE1 PHE A 3 0.814 -12.097 -4.020 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.107 -9.712 -4.244 1.00 20.11 C ATOM 167 CZ PHE A 3 0.319 -10.847 -4.366 1.00 13.10 C ATOM 0 H PHE A 3 4.739 -13.467 -3.311 1.00 51.23 H new ATOM 0 HA PHE A 3 5.190 -11.108 -4.771 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.294 -11.933 -1.970 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.559 -10.232 -2.296 1.00 42.50 H new ATOM 0 HD1 PHE A 3 2.481 -13.191 -3.231 1.00 54.13 H new ATOM 0 HD2 PHE A 3 3.019 -8.935 -3.664 1.00 61.21 H new ATOM 0 HE1 PHE A 3 0.204 -12.977 -4.161 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.720 -8.751 -4.547 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.692 -10.757 -4.735 1.00 13.10 H new ATOM 177 N SER A 4 7.606 -11.738 -2.758 1.00 10.11 N ATOM 178 CA SER A 4 8.846 -11.287 -2.119 1.00 51.31 C ATOM 179 C SER A 4 9.882 -10.658 -3.072 1.00 52.21 C ATOM 180 O SER A 4 9.999 -11.088 -4.220 1.00 3.23 O ATOM 181 CB SER A 4 9.461 -12.473 -1.351 1.00 73.10 C ATOM 182 OG SER A 4 8.717 -12.712 -0.174 1.00 35.45 O ATOM 0 H SER A 4 7.466 -12.746 -2.682 1.00 10.11 H new ATOM 0 HA SER A 4 8.573 -10.475 -1.445 1.00 51.31 H new ATOM 0 HB2 SER A 4 9.464 -13.364 -1.979 1.00 73.10 H new ATOM 0 HB3 SER A 4 10.499 -12.257 -1.099 1.00 73.10 H new ATOM 0 HG SER A 4 9.108 -13.467 0.312 1.00 35.45 H new ATOM 188 N GLY A 5 10.640 -9.680 -2.542 1.00 0.50 N ATOM 189 CA GLY A 5 11.734 -8.988 -3.226 1.00 50.05 C ATOM 190 C GLY A 5 11.584 -7.465 -3.085 1.00 70.14 C ATOM 191 O GLY A 5 10.535 -6.964 -2.678 1.00 2.24 O ATOM 0 H GLY A 5 10.497 -9.342 -1.590 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.689 -9.305 -2.808 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.741 -9.262 -4.281 1.00 50.05 H new ATOM 195 N LYS A 6 12.653 -6.734 -3.452 1.00 53.11 N ATOM 196 CA LYS A 6 12.674 -5.270 -3.555 1.00 33.32 C ATOM 197 C LYS A 6 12.271 -4.777 -4.951 1.00 2.31 C ATOM 198 O LYS A 6 12.500 -5.467 -5.945 1.00 51.24 O ATOM 199 CB LYS A 6 14.068 -4.708 -3.191 1.00 34.34 C ATOM 200 CG LYS A 6 14.243 -4.347 -1.703 1.00 41.11 C ATOM 201 CD LYS A 6 15.175 -3.142 -1.485 1.00 73.43 C ATOM 202 CE LYS A 6 16.615 -3.365 -1.973 1.00 73.45 C ATOM 203 NZ LYS A 6 17.415 -2.131 -1.856 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.548 -7.161 -3.691 1.00 53.11 H new ATOM 0 HA LYS A 6 11.937 -4.901 -2.842 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.825 -5.443 -3.465 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.255 -3.818 -3.792 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.267 -4.128 -1.270 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.642 -5.210 -1.169 1.00 41.11 H new ATOM 0 HD2 LYS A 6 14.758 -2.276 -2.000 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.196 -2.901 -0.422 1.00 73.43 H new ATOM 0 HE2 LYS A 6 17.080 -4.160 -1.390 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.603 -3.697 -3.011 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.382 -2.311 -2.193 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 16.982 -1.381 -2.432 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.445 -1.830 -0.861 1.00 41.11 H new ATOM 217 N TYR A 7 11.726 -3.550 -4.970 1.00 32.11 N ATOM 218 CA TYR A 7 11.318 -2.811 -6.162 1.00 30.14 C ATOM 219 C TYR A 7 11.623 -1.325 -5.920 1.00 32.15 C ATOM 220 O TYR A 7 11.291 -0.825 -4.854 1.00 20.05 O ATOM 221 CB TYR A 7 9.804 -3.016 -6.445 1.00 54.11 C ATOM 222 CG TYR A 7 9.283 -4.443 -6.343 1.00 71.04 C ATOM 223 CD1 TYR A 7 8.845 -4.945 -5.098 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.243 -5.275 -7.481 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.391 -6.275 -4.990 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.784 -6.603 -7.372 1.00 13.51 C ATOM 227 CZ TYR A 7 8.360 -7.104 -6.126 1.00 23.13 C ATOM 228 OH TYR A 7 7.914 -8.389 -6.023 1.00 1.12 O ATOM 0 H TYR A 7 11.552 -3.027 -4.112 1.00 32.11 H new ATOM 0 HA TYR A 7 11.864 -3.173 -7.033 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.239 -2.396 -5.749 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.591 -2.645 -7.448 1.00 54.11 H new ATOM 0 HD1 TYR A 7 8.858 -4.308 -4.226 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.565 -4.893 -8.439 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.067 -6.658 -4.034 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.757 -7.238 -8.246 1.00 13.51 H new ATOM 0 HH TYR A 7 7.647 -8.569 -5.098 1.00 1.12 H new ATOM 238 N GLN A 8 12.217 -0.620 -6.890 1.00 12.25 N ATOM 239 CA GLN A 8 12.381 0.840 -6.844 1.00 23.23 C ATOM 240 C GLN A 8 11.110 1.515 -7.382 1.00 74.20 C ATOM 241 O GLN A 8 10.421 0.921 -8.214 1.00 23.14 O ATOM 242 CB GLN A 8 13.630 1.244 -7.656 1.00 44.44 C ATOM 243 CG GLN A 8 13.496 1.079 -9.186 1.00 54.44 C ATOM 244 CD GLN A 8 14.789 0.597 -9.840 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.719 1.374 -10.031 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.843 -0.687 -10.198 1.00 32.20 N ATOM 0 H GLN A 8 12.600 -1.047 -7.733 1.00 12.25 H new ATOM 0 HA GLN A 8 12.528 1.171 -5.816 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.866 2.286 -7.437 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.476 0.647 -7.314 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.697 0.370 -9.403 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.204 2.032 -9.626 1.00 54.44 H new ATOM 0 HE21 GLN A 8 14.047 -1.300 -10.021 1.00 32.20 H new ATOM 0 HE22 GLN A 8 15.680 -1.056 -10.649 1.00 32.20 H new ATOM 255 N LEU A 9 10.843 2.754 -6.946 1.00 12.01 N ATOM 256 CA LEU A 9 9.760 3.572 -7.498 1.00 44.41 C ATOM 257 C LEU A 9 10.142 4.052 -8.911 1.00 23.42 C ATOM 258 O LEU A 9 11.243 4.575 -9.092 1.00 10.44 O ATOM 259 CB LEU A 9 9.461 4.748 -6.537 1.00 53.02 C ATOM 260 CG LEU A 9 7.965 5.084 -6.371 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.779 6.278 -5.417 1.00 2.25 C ATOM 262 CD2 LEU A 9 7.227 5.325 -7.693 1.00 32.31 C ATOM 0 H LEU A 9 11.371 3.214 -6.204 1.00 12.01 H new ATOM 0 HA LEU A 9 8.848 2.983 -7.590 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.877 4.513 -5.557 1.00 53.02 H new ATOM 0 HB3 LEU A 9 9.980 5.635 -6.899 1.00 53.02 H new ATOM 0 HG LEU A 9 7.508 4.195 -5.936 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.717 6.499 -5.313 1.00 2.25 H new ATOM 0 HD12 LEU A 9 8.195 6.032 -4.440 1.00 2.25 H new ATOM 0 HD13 LEU A 9 8.293 7.150 -5.821 1.00 2.25 H new ATOM 0 HD21 LEU A 9 6.181 5.555 -7.489 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.687 6.162 -8.219 1.00 32.31 H new ATOM 0 HD23 LEU A 9 7.288 4.430 -8.312 1.00 32.31 H new ATOM 274 N GLN A 10 9.229 3.860 -9.877 1.00 4.02 N ATOM 275 CA GLN A 10 9.394 4.292 -11.264 1.00 40.12 C ATOM 276 C GLN A 10 8.566 5.551 -11.544 1.00 25.41 C ATOM 277 O GLN A 10 9.145 6.577 -11.905 1.00 51.02 O ATOM 278 CB GLN A 10 9.007 3.147 -12.232 1.00 23.21 C ATOM 279 CG GLN A 10 9.966 1.940 -12.220 1.00 11.14 C ATOM 280 CD GLN A 10 11.363 2.255 -12.765 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.525 3.093 -13.648 1.00 22.21 O ATOM 282 NE2 GLN A 10 12.382 1.557 -12.265 1.00 4.53 N ATOM 0 H GLN A 10 8.340 3.390 -9.707 1.00 4.02 H new ATOM 0 HA GLN A 10 10.443 4.540 -11.428 1.00 40.12 H new ATOM 0 HB2 GLN A 10 8.005 2.800 -11.980 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.960 3.546 -13.245 1.00 23.21 H new ATOM 0 HG2 GLN A 10 10.059 1.572 -11.198 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.529 1.135 -12.810 1.00 11.14 H new ATOM 0 HE21 GLN A 10 12.217 0.867 -11.532 1.00 4.53 H new ATOM 0 HE22 GLN A 10 13.327 1.712 -12.615 1.00 4.53 H new ATOM 291 N SER A 11 7.235 5.443 -11.395 1.00 2.22 N ATOM 292 CA SER A 11 6.271 6.454 -11.827 1.00 31.44 C ATOM 293 C SER A 11 5.100 6.551 -10.840 1.00 60.01 C ATOM 294 O SER A 11 4.787 5.571 -10.163 1.00 44.20 O ATOM 295 CB SER A 11 5.749 6.073 -13.230 1.00 33.23 C ATOM 296 OG SER A 11 6.738 6.279 -14.218 1.00 42.42 O ATOM 0 H SER A 11 6.796 4.631 -10.961 1.00 2.22 H new ATOM 0 HA SER A 11 6.762 7.427 -11.861 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.440 5.028 -13.234 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.866 6.667 -13.466 1.00 33.23 H new ATOM 0 HG SER A 11 6.381 6.028 -15.096 1.00 42.42 H new ATOM 302 N GLN A 12 4.453 7.726 -10.815 1.00 33.41 N ATOM 303 CA GLN A 12 3.215 7.982 -10.076 1.00 74.33 C ATOM 304 C GLN A 12 2.246 8.769 -10.976 1.00 1.03 C ATOM 305 O GLN A 12 2.690 9.586 -11.784 1.00 32.25 O ATOM 306 CB GLN A 12 3.484 8.788 -8.785 1.00 61.21 C ATOM 307 CG GLN A 12 4.503 8.201 -7.788 1.00 23.43 C ATOM 308 CD GLN A 12 5.878 8.872 -7.882 1.00 73.02 C ATOM 309 OE1 GLN A 12 6.746 8.424 -8.628 1.00 23.32 O ATOM 310 NE2 GLN A 12 6.082 9.952 -7.125 1.00 11.21 N ATOM 0 H GLN A 12 4.789 8.544 -11.323 1.00 33.41 H new ATOM 0 HA GLN A 12 2.780 7.024 -9.792 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.827 9.782 -9.072 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.536 8.916 -8.263 1.00 61.21 H new ATOM 0 HG2 GLN A 12 4.118 8.312 -6.774 1.00 23.43 H new ATOM 0 HG3 GLN A 12 4.612 7.132 -7.973 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.339 10.296 -6.517 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.981 10.433 -7.154 1.00 11.21 H new ATOM 319 N GLU A 13 0.940 8.523 -10.789 1.00 43.44 N ATOM 320 CA GLU A 13 -0.166 9.169 -11.503 1.00 42.23 C ATOM 321 C GLU A 13 -1.180 9.672 -10.468 1.00 20.52 C ATOM 322 O GLU A 13 -1.462 8.950 -9.509 1.00 74.05 O ATOM 323 CB GLU A 13 -0.848 8.152 -12.437 1.00 15.01 C ATOM 324 CG GLU A 13 0.092 7.472 -13.456 1.00 12.24 C ATOM 325 CD GLU A 13 -0.603 6.369 -14.256 1.00 45.31 C ATOM 326 OE1 GLU A 13 0.116 5.444 -14.690 1.00 24.51 O ATOM 327 OE2 GLU A 13 -1.843 6.435 -14.402 1.00 1.35 O1- ATOM 0 H GLU A 13 0.615 7.839 -10.106 1.00 43.44 H new ATOM 0 HA GLU A 13 0.210 10.000 -12.100 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.319 7.380 -11.828 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.645 8.658 -12.982 1.00 15.01 H new ATOM 0 HG2 GLU A 13 0.481 8.224 -14.143 1.00 12.24 H new ATOM 0 HG3 GLU A 13 0.947 7.049 -12.929 1.00 12.24 H new ATOM 334 N ASN A 14 -1.694 10.902 -10.666 1.00 43.13 N ATOM 335 CA ASN A 14 -2.517 11.661 -9.703 1.00 52.34 C ATOM 336 C ASN A 14 -1.810 11.855 -8.344 1.00 34.24 C ATOM 337 O ASN A 14 -2.493 11.979 -7.331 1.00 23.21 O ATOM 338 CB ASN A 14 -3.945 11.034 -9.566 1.00 31.51 C ATOM 339 CG ASN A 14 -5.000 11.634 -10.498 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.019 12.840 -10.736 1.00 10.54 O ATOM 341 ND2 ASN A 14 -5.931 10.805 -10.975 1.00 73.45 N ATOM 0 H ASN A 14 -1.541 11.414 -11.535 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.648 12.666 -10.105 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.877 9.963 -9.759 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.281 11.152 -8.536 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.687 11.167 -11.556 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -5.886 9.809 -10.759 1.00 73.45 H new ATOM 348 N PHE A 15 -0.462 11.885 -8.335 1.00 24.15 N ATOM 349 CA PHE A 15 0.357 11.995 -7.127 1.00 23.43 C ATOM 350 C PHE A 15 0.037 13.246 -6.313 1.00 74.11 C ATOM 351 O PHE A 15 -0.448 13.110 -5.196 1.00 1.01 O ATOM 352 CB PHE A 15 1.859 11.871 -7.458 1.00 2.23 C ATOM 353 CG PHE A 15 2.797 11.947 -6.257 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.068 10.801 -5.481 1.00 60.44 C ATOM 355 CD2 PHE A 15 3.251 13.200 -5.793 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.823 10.903 -4.320 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.991 13.285 -4.623 1.00 71.40 C ATOM 358 CZ PHE A 15 4.285 12.141 -3.895 1.00 21.22 C ATOM 0 H PHE A 15 0.092 11.832 -9.190 1.00 24.15 H new ATOM 0 HA PHE A 15 0.098 11.153 -6.485 1.00 23.43 H new ATOM 0 HB2 PHE A 15 2.025 10.923 -7.969 1.00 2.23 H new ATOM 0 HB3 PHE A 15 2.127 12.662 -8.159 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.686 9.839 -5.791 1.00 60.44 H new ATOM 0 HD2 PHE A 15 3.021 14.096 -6.351 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.051 10.017 -3.746 1.00 62.11 H new ATOM 0 HE2 PHE A 15 4.340 14.247 -4.277 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.876 12.214 -2.994 1.00 21.22 H new ATOM 368 N GLU A 16 0.275 14.430 -6.901 1.00 41.43 N ATOM 369 CA GLU A 16 0.036 15.707 -6.236 1.00 0.21 C ATOM 370 C GLU A 16 -1.445 15.949 -5.909 1.00 40.14 C ATOM 371 O GLU A 16 -1.723 16.445 -4.822 1.00 50.12 O ATOM 372 CB GLU A 16 0.632 16.867 -7.049 1.00 62.30 C ATOM 373 CG GLU A 16 2.156 16.753 -7.238 1.00 34.23 C ATOM 374 CD GLU A 16 2.746 18.051 -7.784 1.00 35.45 C ATOM 375 OE1 GLU A 16 3.094 18.066 -8.983 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.826 19.010 -6.986 1.00 14.32 O1- ATOM 0 H GLU A 16 0.638 14.521 -7.850 1.00 41.43 H new ATOM 0 HA GLU A 16 0.550 15.660 -5.276 1.00 0.21 H new ATOM 0 HB2 GLU A 16 0.152 16.901 -8.027 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.403 17.808 -6.549 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.626 16.510 -6.285 1.00 34.23 H new ATOM 0 HG3 GLU A 16 2.380 15.934 -7.921 1.00 34.23 H new ATOM 383 N ALA A 17 -2.362 15.532 -6.801 1.00 41.43 N ATOM 384 CA ALA A 17 -3.810 15.569 -6.579 1.00 64.44 C ATOM 385 C ALA A 17 -4.253 14.772 -5.340 1.00 21.15 C ATOM 386 O ALA A 17 -5.032 15.292 -4.544 1.00 52.04 O ATOM 387 CB ALA A 17 -4.535 15.065 -7.839 1.00 51.43 C ATOM 0 H ALA A 17 -2.107 15.153 -7.713 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.083 16.606 -6.383 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.612 15.092 -7.674 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.281 15.704 -8.685 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.226 14.041 -8.052 1.00 51.43 H new ATOM 393 N PHE A 18 -3.698 13.559 -5.175 1.00 53.03 N ATOM 394 CA PHE A 18 -3.910 12.685 -4.025 1.00 1.40 C ATOM 395 C PHE A 18 -3.242 13.177 -2.735 1.00 42.54 C ATOM 396 O PHE A 18 -3.880 13.120 -1.686 1.00 24.03 O ATOM 397 CB PHE A 18 -3.524 11.234 -4.397 1.00 72.24 C ATOM 398 CG PHE A 18 -3.570 10.223 -3.265 1.00 64.31 C ATOM 399 CD1 PHE A 18 -2.400 9.921 -2.540 1.00 12.40 C ATOM 400 CD2 PHE A 18 -4.807 9.714 -2.816 1.00 3.02 C ATOM 401 CE1 PHE A 18 -2.467 9.110 -1.416 1.00 31.44 C ATOM 402 CE2 PHE A 18 -4.854 8.902 -1.692 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.691 8.612 -0.990 1.00 41.52 C ATOM 0 H PHE A 18 -3.069 13.153 -5.867 1.00 53.03 H new ATOM 0 HA PHE A 18 -4.973 12.709 -3.785 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.190 10.893 -5.189 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.515 11.242 -4.810 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -1.449 10.321 -2.860 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -5.716 9.956 -3.347 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -1.566 8.866 -0.872 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -5.798 8.494 -1.362 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.739 7.994 -0.106 1.00 41.52 H new ATOM 413 N MET A 19 -1.989 13.648 -2.831 1.00 55.30 N ATOM 414 CA MET A 19 -1.202 14.127 -1.695 1.00 10.14 C ATOM 415 C MET A 19 -1.763 15.429 -1.090 1.00 23.02 C ATOM 416 O MET A 19 -1.803 15.536 0.135 1.00 25.41 O ATOM 417 CB MET A 19 0.283 14.253 -2.077 1.00 3.32 C ATOM 418 CG MET A 19 0.965 12.951 -2.537 1.00 44.32 C ATOM 419 SD MET A 19 1.874 12.030 -1.270 1.00 31.24 S ATOM 420 CE MET A 19 0.612 10.820 -0.806 1.00 45.12 C ATOM 0 H MET A 19 -1.490 13.706 -3.719 1.00 55.30 H new ATOM 0 HA MET A 19 -1.281 13.379 -0.906 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.373 14.991 -2.875 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.829 14.644 -1.218 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.202 12.295 -2.956 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.655 13.193 -3.345 1.00 44.32 H new ATOM 0 HE1 MET A 19 0.753 10.528 0.235 1.00 45.12 H new ATOM 0 HE2 MET A 19 -0.377 11.261 -0.928 1.00 45.12 H new ATOM 0 HE3 MET A 19 0.699 9.941 -1.444 1.00 45.12 H new ATOM 430 N LYS A 20 -2.258 16.353 -1.940 1.00 5.12 N ATOM 431 CA LYS A 20 -3.056 17.508 -1.517 1.00 70.21 C ATOM 432 C LYS A 20 -4.411 17.102 -0.897 1.00 45.31 C ATOM 433 O LYS A 20 -4.809 17.715 0.094 1.00 54.35 O ATOM 434 CB LYS A 20 -3.273 18.508 -2.685 1.00 21.54 C ATOM 435 CG LYS A 20 -2.188 19.593 -2.880 1.00 73.32 C ATOM 436 CD LYS A 20 -1.171 19.323 -4.002 1.00 31.42 C ATOM 437 CE LYS A 20 -0.272 20.537 -4.288 1.00 14.14 C ATOM 438 NZ LYS A 20 0.632 20.299 -5.429 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.110 16.312 -2.948 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.479 18.004 -0.737 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.355 17.938 -3.610 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.230 19.007 -2.533 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -2.682 20.543 -3.083 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.645 19.711 -1.942 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.549 18.471 -3.727 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -1.704 19.047 -4.912 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -0.894 21.408 -4.494 1.00 14.14 H new ATOM 0 HE3 LYS A 20 0.317 20.769 -3.401 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 1.332 21.066 -5.483 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 1.122 19.391 -5.300 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 0.080 20.272 -6.310 1.00 71.41 H new ATOM 452 N ALA A 21 -5.087 16.091 -1.475 1.00 70.25 N ATOM 453 CA ALA A 21 -6.407 15.617 -1.037 1.00 31.14 C ATOM 454 C ALA A 21 -6.417 14.879 0.315 1.00 31.42 C ATOM 455 O ALA A 21 -7.440 14.944 0.997 1.00 52.22 O ATOM 456 CB ALA A 21 -7.047 14.752 -2.132 1.00 4.31 C ATOM 0 H ALA A 21 -4.721 15.573 -2.274 1.00 70.25 H new ATOM 0 HA ALA A 21 -7.000 16.516 -0.870 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -8.025 14.406 -1.797 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.163 15.342 -3.041 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.408 13.893 -2.336 1.00 4.31 H new ATOM 462 N ILE A 22 -5.302 14.230 0.699 1.00 64.42 N ATOM 463 CA ILE A 22 -5.122 13.652 2.040 1.00 53.33 C ATOM 464 C ILE A 22 -4.606 14.675 3.077 1.00 74.23 C ATOM 465 O ILE A 22 -4.608 14.360 4.266 1.00 51.23 O ATOM 466 CB ILE A 22 -4.193 12.402 2.053 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.729 12.660 1.643 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.814 11.247 1.251 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.800 11.469 1.922 1.00 61.52 C ATOM 0 H ILE A 22 -4.499 14.092 0.085 1.00 64.42 H new ATOM 0 HA ILE A 22 -6.125 13.339 2.328 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.126 12.114 3.102 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.693 12.898 0.580 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.358 13.534 2.178 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.146 10.386 1.276 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.774 10.974 1.690 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -4.964 11.561 0.218 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.786 11.718 1.610 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.807 11.244 2.989 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.147 10.598 1.366 1.00 61.52 H new ATOM 481 N GLY A 23 -4.224 15.883 2.628 1.00 43.03 N ATOM 482 CA GLY A 23 -3.939 17.018 3.504 1.00 24.22 C ATOM 483 C GLY A 23 -2.460 17.134 3.895 1.00 33.24 C ATOM 484 O GLY A 23 -2.180 17.739 4.931 1.00 54.20 O ATOM 0 H GLY A 23 -4.105 16.094 1.637 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -4.248 17.937 3.006 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -4.540 16.928 4.409 1.00 24.22 H new ATOM 488 N LEU A 24 -1.515 16.601 3.096 1.00 41.30 N ATOM 489 CA LEU A 24 -0.076 16.851 3.279 1.00 1.32 C ATOM 490 C LEU A 24 0.286 18.316 2.945 1.00 71.32 C ATOM 491 O LEU A 24 -0.348 18.900 2.063 1.00 51.04 O ATOM 492 CB LEU A 24 0.755 15.914 2.372 1.00 61.22 C ATOM 493 CG LEU A 24 0.790 14.446 2.834 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.406 13.565 1.739 1.00 2.04 C ATOM 495 CD2 LEU A 24 1.546 14.283 4.163 1.00 64.15 C ATOM 0 H LEU A 24 -1.729 15.988 2.309 1.00 41.30 H new ATOM 0 HA LEU A 24 0.157 16.657 4.326 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.350 15.954 1.361 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.777 16.290 2.321 1.00 61.22 H new ATOM 0 HG LEU A 24 -0.236 14.124 3.010 1.00 65.05 H new ATOM 0 HD11 LEU A 24 1.427 12.528 2.075 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.807 13.641 0.831 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.423 13.900 1.532 1.00 2.04 H new ATOM 0 HD21 LEU A 24 1.548 13.233 4.454 1.00 64.15 H new ATOM 0 HD22 LEU A 24 2.573 14.628 4.042 1.00 64.15 H new ATOM 0 HD23 LEU A 24 1.054 14.873 4.936 1.00 64.15 H new ATOM 507 N PRO A 25 1.326 18.870 3.612 1.00 51.42 N ATOM 508 CA PRO A 25 1.898 20.175 3.236 1.00 64.41 C ATOM 509 C PRO A 25 2.675 20.099 1.910 1.00 52.34 C ATOM 510 O PRO A 25 3.212 19.038 1.587 1.00 25.31 O ATOM 511 CB PRO A 25 2.827 20.501 4.416 1.00 42.32 C ATOM 512 CG PRO A 25 3.304 19.145 4.909 1.00 45.43 C ATOM 513 CD PRO A 25 2.080 18.259 4.713 1.00 10.24 C ATOM 0 HA PRO A 25 1.137 20.937 3.066 1.00 64.41 H new ATOM 0 HB2 PRO A 25 3.663 21.126 4.102 1.00 42.32 H new ATOM 0 HB3 PRO A 25 2.299 21.045 5.199 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.159 18.785 4.336 1.00 45.43 H new ATOM 0 HG3 PRO A 25 3.613 19.181 5.954 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.370 17.237 4.470 1.00 10.24 H new ATOM 0 HD3 PRO A 25 1.480 18.213 5.622 1.00 10.24 H new ATOM 521 N GLU A 26 2.740 21.231 1.184 1.00 15.43 N ATOM 522 CA GLU A 26 3.468 21.379 -0.087 1.00 32.41 C ATOM 523 C GLU A 26 4.942 20.935 -0.029 1.00 20.45 C ATOM 524 O GLU A 26 5.427 20.371 -1.004 1.00 41.02 O ATOM 525 CB GLU A 26 3.316 22.824 -0.615 1.00 40.32 C ATOM 526 CG GLU A 26 4.072 23.105 -1.933 1.00 11.11 C ATOM 527 CD GLU A 26 3.867 24.528 -2.442 1.00 71.15 C ATOM 528 OE1 GLU A 26 4.367 25.452 -1.763 1.00 30.22 O ATOM 529 OE2 GLU A 26 3.223 24.663 -3.505 1.00 51.31 O1- ATOM 0 H GLU A 26 2.274 22.091 1.475 1.00 15.43 H new ATOM 0 HA GLU A 26 3.008 20.689 -0.794 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.257 23.033 -0.766 1.00 40.32 H new ATOM 0 HB3 GLU A 26 3.672 23.516 0.148 1.00 40.32 H new ATOM 0 HG2 GLU A 26 5.137 22.929 -1.780 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.739 22.400 -2.695 1.00 11.11 H new ATOM 536 N GLU A 27 5.598 21.150 1.124 1.00 72.42 N ATOM 537 CA GLU A 27 6.950 20.700 1.459 1.00 12.31 C ATOM 538 C GLU A 27 7.182 19.203 1.172 1.00 42.50 C ATOM 539 O GLU A 27 8.102 18.866 0.428 1.00 21.24 O ATOM 540 CB GLU A 27 7.209 21.057 2.938 1.00 3.21 C ATOM 541 CG GLU A 27 8.561 20.594 3.514 1.00 35.22 C ATOM 542 CD GLU A 27 8.671 20.947 4.994 1.00 64.24 C ATOM 543 OE1 GLU A 27 8.352 20.058 5.814 1.00 75.20 O ATOM 544 OE2 GLU A 27 9.053 22.103 5.278 1.00 2.32 O1- ATOM 0 H GLU A 27 5.170 21.673 1.888 1.00 72.42 H new ATOM 0 HA GLU A 27 7.666 21.211 0.816 1.00 12.31 H new ATOM 0 HB2 GLU A 27 7.140 22.139 3.048 1.00 3.21 H new ATOM 0 HB3 GLU A 27 6.411 20.624 3.541 1.00 3.21 H new ATOM 0 HG2 GLU A 27 8.667 19.517 3.384 1.00 35.22 H new ATOM 0 HG3 GLU A 27 9.376 21.063 2.962 1.00 35.22 H new ATOM 551 N LEU A 28 6.314 18.355 1.749 1.00 51.31 N ATOM 552 CA LEU A 28 6.326 16.899 1.606 1.00 65.54 C ATOM 553 C LEU A 28 5.868 16.431 0.212 1.00 32.34 C ATOM 554 O LEU A 28 6.287 15.354 -0.212 1.00 40.54 O ATOM 555 CB LEU A 28 5.465 16.257 2.722 1.00 15.54 C ATOM 556 CG LEU A 28 6.205 16.015 4.060 1.00 40.12 C ATOM 557 CD1 LEU A 28 6.765 17.286 4.732 1.00 40.45 C ATOM 558 CD2 LEU A 28 5.321 15.221 5.038 1.00 71.15 C ATOM 0 H LEU A 28 5.558 18.683 2.350 1.00 51.31 H new ATOM 0 HA LEU A 28 7.359 16.567 1.710 1.00 65.54 H new ATOM 0 HB2 LEU A 28 4.604 16.899 2.911 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.079 15.304 2.360 1.00 15.54 H new ATOM 0 HG LEU A 28 7.082 15.424 3.797 1.00 40.12 H new ATOM 0 HD11 LEU A 28 7.265 17.016 5.662 1.00 40.45 H new ATOM 0 HD12 LEU A 28 7.478 17.767 4.063 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.948 17.974 4.947 1.00 40.45 H new ATOM 0 HD21 LEU A 28 5.862 15.063 5.971 1.00 71.15 H new ATOM 0 HD22 LEU A 28 4.407 15.780 5.239 1.00 71.15 H new ATOM 0 HD23 LEU A 28 5.067 14.257 4.598 1.00 71.15 H new ATOM 570 N ILE A 29 5.043 17.240 -0.476 1.00 13.23 N ATOM 571 CA ILE A 29 4.551 16.956 -1.823 1.00 61.03 C ATOM 572 C ILE A 29 5.638 17.186 -2.891 1.00 61.24 C ATOM 573 O ILE A 29 5.802 16.320 -3.746 1.00 44.33 O ATOM 574 CB ILE A 29 3.284 17.794 -2.180 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.125 17.478 -1.207 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.794 17.609 -3.636 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.010 18.530 -1.177 1.00 23.43 C ATOM 0 H ILE A 29 4.697 18.123 -0.099 1.00 13.23 H new ATOM 0 HA ILE A 29 4.276 15.901 -1.823 1.00 61.03 H new ATOM 0 HB ILE A 29 3.592 18.835 -2.080 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.691 16.516 -1.480 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.532 17.370 -0.201 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.910 18.225 -3.804 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.582 17.910 -4.326 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.544 16.562 -3.805 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.241 18.225 -0.468 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.424 19.491 -0.872 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.571 18.623 -2.170 1.00 23.43 H new ATOM 589 N GLN A 30 6.369 18.315 -2.821 1.00 73.04 N ATOM 590 CA GLN A 30 7.402 18.690 -3.795 1.00 71.00 C ATOM 591 C GLN A 30 8.668 17.823 -3.739 1.00 2.13 C ATOM 592 O GLN A 30 9.210 17.506 -4.797 1.00 63.11 O ATOM 593 CB GLN A 30 7.747 20.196 -3.689 1.00 31.43 C ATOM 594 CG GLN A 30 6.622 21.183 -4.078 1.00 43.50 C ATOM 595 CD GLN A 30 5.897 20.831 -5.380 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.501 20.808 -6.448 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.601 20.536 -5.281 1.00 51.30 N ATOM 0 H GLN A 30 6.254 19.000 -2.074 1.00 73.04 H new ATOM 0 HA GLN A 30 6.964 18.496 -4.774 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.048 20.407 -2.663 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.611 20.395 -4.322 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.893 21.222 -3.269 1.00 43.50 H new ATOM 0 HG3 GLN A 30 7.048 22.182 -4.172 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.139 20.568 -4.372 1.00 51.30 H new ATOM 0 HE22 GLN A 30 4.072 20.278 -6.114 1.00 51.30 H new ATOM 606 N LYS A 31 9.096 17.418 -2.532 1.00 15.24 N ATOM 607 CA LYS A 31 10.196 16.465 -2.357 1.00 32.41 C ATOM 608 C LYS A 31 9.747 15.001 -2.556 1.00 15.54 C ATOM 609 O LYS A 31 10.602 14.149 -2.794 1.00 25.33 O ATOM 610 CB LYS A 31 10.893 16.718 -1.003 1.00 61.25 C ATOM 611 CG LYS A 31 10.102 16.365 0.275 1.00 25.12 C ATOM 612 CD LYS A 31 10.359 14.947 0.822 1.00 14.14 C ATOM 613 CE LYS A 31 9.990 14.803 2.306 1.00 54.24 C ATOM 614 NZ LYS A 31 10.907 15.569 3.173 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.689 17.743 -1.655 1.00 15.24 H new ATOM 0 HA LYS A 31 10.933 16.633 -3.143 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.824 16.151 -0.991 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.162 17.773 -0.953 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.350 17.089 1.051 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.037 16.472 0.068 1.00 25.12 H new ATOM 0 HD2 LYS A 31 9.784 14.228 0.238 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.411 14.697 0.689 1.00 14.14 H new ATOM 0 HE2 LYS A 31 8.968 15.148 2.462 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.017 13.750 2.587 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 10.833 15.221 4.150 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 11.884 15.450 2.836 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 10.651 16.577 3.144 1.00 12.45 H new ATOM 628 N GLY A 32 8.429 14.743 -2.478 1.00 25.23 N ATOM 629 CA GLY A 32 7.835 13.423 -2.671 1.00 2.20 C ATOM 630 C GLY A 32 7.613 13.117 -4.161 1.00 32.41 C ATOM 631 O GLY A 32 7.803 11.970 -4.564 1.00 51.50 O ATOM 0 H GLY A 32 7.739 15.466 -2.274 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.484 12.664 -2.235 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.883 13.370 -2.142 1.00 2.20 H new ATOM 635 N LYS A 33 7.209 14.115 -4.971 1.00 23.43 N ATOM 636 CA LYS A 33 6.964 13.957 -6.411 1.00 13.23 C ATOM 637 C LYS A 33 8.263 13.865 -7.225 1.00 61.53 C ATOM 638 O LYS A 33 8.294 13.132 -8.212 1.00 51.30 O ATOM 639 CB LYS A 33 6.035 15.074 -6.957 1.00 51.13 C ATOM 640 CG LYS A 33 6.546 16.530 -6.887 1.00 0.44 C ATOM 641 CD LYS A 33 6.510 17.294 -8.218 1.00 73.42 C ATOM 642 CE LYS A 33 7.580 16.848 -9.223 1.00 35.11 C ATOM 643 NZ LYS A 33 7.496 17.640 -10.461 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.043 15.064 -4.636 1.00 23.43 H new ATOM 0 HA LYS A 33 6.450 13.004 -6.533 1.00 13.23 H new ATOM 0 HB2 LYS A 33 5.813 14.846 -8.000 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.092 15.023 -6.412 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.948 17.075 -6.156 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.571 16.522 -6.517 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.526 17.169 -8.671 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.635 18.358 -8.018 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.570 16.960 -8.781 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.451 15.790 -9.453 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 8.229 17.322 -11.127 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.558 17.513 -10.892 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.642 18.646 -10.240 1.00 72.55 H new ATOM 657 N ASP A 34 9.288 14.621 -6.801 1.00 50.54 N ATOM 658 CA ASP A 34 10.572 14.751 -7.481 1.00 73.22 C ATOM 659 C ASP A 34 11.414 13.478 -7.298 1.00 31.32 C ATOM 660 O ASP A 34 11.676 12.779 -8.278 1.00 61.12 O ATOM 661 CB ASP A 34 11.316 16.022 -7.013 1.00 22.05 C ATOM 662 CG ASP A 34 12.609 16.293 -7.787 1.00 5.32 C ATOM 663 OD1 ASP A 34 12.498 16.507 -9.014 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.671 16.328 -7.130 1.00 3.34 O1- ATOM 0 H ASP A 34 9.237 15.174 -5.946 1.00 50.54 H new ATOM 0 HA ASP A 34 10.393 14.865 -8.550 1.00 73.22 H new ATOM 0 HB2 ASP A 34 10.653 16.881 -7.117 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.550 15.927 -5.953 1.00 22.05 H new ATOM 669 N ILE A 35 11.814 13.212 -6.043 1.00 12.23 N ATOM 670 CA ILE A 35 12.675 12.091 -5.679 1.00 41.32 C ATOM 671 C ILE A 35 11.846 10.794 -5.679 1.00 25.42 C ATOM 672 O ILE A 35 10.870 10.692 -4.933 1.00 2.34 O ATOM 673 CB ILE A 35 13.306 12.263 -4.264 1.00 45.03 C ATOM 674 CG1 ILE A 35 14.018 13.627 -4.085 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.284 11.112 -3.924 1.00 41.45 C ATOM 676 CD1 ILE A 35 14.306 13.982 -2.616 1.00 5.42 C ATOM 0 H ILE A 35 11.539 13.784 -5.245 1.00 12.23 H new ATOM 0 HA ILE A 35 13.481 12.051 -6.412 1.00 41.32 H new ATOM 0 HB ILE A 35 12.469 12.230 -3.566 1.00 45.03 H new ATOM 0 HG12 ILE A 35 14.957 13.613 -4.638 1.00 53.41 H new ATOM 0 HG13 ILE A 35 13.401 14.410 -4.525 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.701 11.271 -2.930 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.750 10.162 -3.946 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.091 11.092 -4.657 1.00 41.45 H new ATOM 0 HD11 ILE A 35 14.805 14.950 -2.567 1.00 5.42 H new ATOM 0 HD12 ILE A 35 13.368 14.029 -2.062 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.949 13.219 -2.177 1.00 5.42 H new ATOM 688 N LYS A 36 12.268 9.826 -6.506 1.00 22.42 N ATOM 689 CA LYS A 36 11.710 8.475 -6.524 1.00 71.21 C ATOM 690 C LYS A 36 12.282 7.664 -5.357 1.00 4.44 C ATOM 691 O LYS A 36 13.501 7.607 -5.185 1.00 43.34 O ATOM 692 CB LYS A 36 11.969 7.805 -7.889 1.00 63.15 C ATOM 693 CG LYS A 36 10.876 8.077 -8.944 1.00 0.11 C ATOM 694 CD LYS A 36 10.640 9.570 -9.244 1.00 54.43 C ATOM 695 CE LYS A 36 9.624 9.834 -10.362 1.00 3.34 C ATOM 696 NZ LYS A 36 10.107 9.364 -11.670 1.00 51.25 N1+ ATOM 0 H LYS A 36 13.015 9.966 -7.187 1.00 22.42 H new ATOM 0 HA LYS A 36 10.629 8.521 -6.394 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.927 8.153 -8.276 1.00 63.15 H new ATOM 0 HB3 LYS A 36 12.057 6.729 -7.742 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.148 7.571 -9.870 1.00 0.11 H new ATOM 0 HG3 LYS A 36 9.940 7.635 -8.602 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.298 10.062 -8.334 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.590 10.029 -9.516 1.00 54.43 H new ATOM 0 HE2 LYS A 36 8.684 9.336 -10.123 1.00 3.34 H new ATOM 0 HE3 LYS A 36 9.414 10.902 -10.416 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 9.719 9.969 -12.421 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 11.146 9.407 -11.693 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 9.798 8.383 -11.822 1.00 51.25 H new ATOM 710 N GLY A 37 11.373 7.064 -4.581 1.00 2.05 N ATOM 711 CA GLY A 37 11.691 6.283 -3.396 1.00 32.21 C ATOM 712 C GLY A 37 12.001 4.826 -3.761 1.00 11.23 C ATOM 713 O GLY A 37 12.398 4.511 -4.885 1.00 34.23 O ATOM 0 H GLY A 37 10.372 7.114 -4.771 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.548 6.723 -2.886 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.853 6.316 -2.699 1.00 32.21 H new ATOM 717 N VAL A 38 11.831 3.940 -2.773 1.00 23.15 N ATOM 718 CA VAL A 38 12.078 2.503 -2.887 1.00 73.42 C ATOM 719 C VAL A 38 10.937 1.745 -2.173 1.00 44.22 C ATOM 720 O VAL A 38 10.160 2.338 -1.423 1.00 3.40 O ATOM 721 CB VAL A 38 13.456 2.072 -2.278 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.951 0.715 -2.817 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.578 3.111 -2.482 1.00 41.14 C ATOM 0 H VAL A 38 11.508 4.214 -1.845 1.00 23.15 H new ATOM 0 HA VAL A 38 12.110 2.255 -3.948 1.00 73.42 H new ATOM 0 HB VAL A 38 13.249 1.988 -1.211 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.909 0.469 -2.359 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.224 -0.060 -2.574 1.00 1.10 H new ATOM 0 HG13 VAL A 38 14.070 0.775 -3.899 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.501 2.743 -2.034 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.733 3.275 -3.548 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.294 4.051 -2.008 1.00 41.14 H new ATOM 733 N SER A 39 10.831 0.447 -2.460 1.00 55.12 N ATOM 734 CA SER A 39 9.799 -0.458 -1.969 1.00 32.20 C ATOM 735 C SER A 39 10.472 -1.792 -1.619 1.00 25.20 C ATOM 736 O SER A 39 11.492 -2.160 -2.205 1.00 12.25 O ATOM 737 CB SER A 39 8.731 -0.712 -3.065 1.00 61.43 C ATOM 738 OG SER A 39 8.515 0.398 -3.910 1.00 30.44 O ATOM 0 H SER A 39 11.498 -0.022 -3.073 1.00 55.12 H new ATOM 0 HA SER A 39 9.310 -0.018 -1.099 1.00 32.20 H new ATOM 0 HB2 SER A 39 9.039 -1.565 -3.670 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.790 -0.983 -2.587 1.00 61.43 H new ATOM 0 HG SER A 39 8.565 0.111 -4.846 1.00 30.44 H new ATOM 744 N GLU A 40 9.819 -2.526 -0.719 1.00 0.52 N ATOM 745 CA GLU A 40 10.109 -3.919 -0.428 1.00 41.33 C ATOM 746 C GLU A 40 8.778 -4.592 -0.110 1.00 33.01 C ATOM 747 O GLU A 40 7.907 -3.986 0.515 1.00 10.34 O ATOM 748 CB GLU A 40 11.077 -4.026 0.763 1.00 3.20 C ATOM 749 CG GLU A 40 11.612 -5.444 1.051 1.00 1.11 C ATOM 750 CD GLU A 40 12.391 -5.535 2.367 1.00 53.23 C ATOM 751 OE1 GLU A 40 11.951 -4.899 3.352 1.00 2.42 O ATOM 752 OE2 GLU A 40 13.396 -6.277 2.375 1.00 22.13 O1- ATOM 0 H GLU A 40 9.053 -2.152 -0.159 1.00 0.52 H new ATOM 0 HA GLU A 40 10.590 -4.405 -1.277 1.00 41.33 H new ATOM 0 HB2 GLU A 40 11.925 -3.365 0.582 1.00 3.20 H new ATOM 0 HB3 GLU A 40 10.571 -3.658 1.656 1.00 3.20 H new ATOM 0 HG2 GLU A 40 10.776 -6.142 1.081 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.258 -5.756 0.231 1.00 1.11 H new ATOM 759 N ILE A 41 8.691 -5.859 -0.513 1.00 21.23 N ATOM 760 CA ILE A 41 7.652 -6.774 -0.088 1.00 11.11 C ATOM 761 C ILE A 41 8.365 -8.022 0.456 1.00 1.33 C ATOM 762 O ILE A 41 9.325 -8.484 -0.162 1.00 2.42 O ATOM 763 CB ILE A 41 6.729 -7.162 -1.273 1.00 14.45 C ATOM 764 CG1 ILE A 41 5.985 -5.926 -1.840 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.720 -8.244 -0.865 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.209 -6.188 -3.141 1.00 72.04 C ATOM 0 H ILE A 41 9.360 -6.280 -1.158 1.00 21.23 H new ATOM 0 HA ILE A 41 7.020 -6.310 0.670 1.00 11.11 H new ATOM 0 HB ILE A 41 7.369 -7.566 -2.057 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.290 -5.559 -1.085 1.00 73.42 H new ATOM 0 HG13 ILE A 41 6.710 -5.132 -2.018 1.00 73.42 H new ATOM 0 HG21 ILE A 41 5.089 -8.493 -1.718 1.00 42.00 H new ATOM 0 HG22 ILE A 41 6.255 -9.135 -0.537 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.099 -7.873 -0.050 1.00 42.00 H new ATOM 0 HD11 ILE A 41 4.720 -5.269 -3.464 1.00 72.04 H new ATOM 0 HD12 ILE A 41 5.899 -6.524 -3.915 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.457 -6.957 -2.967 1.00 72.04 H new ATOM 778 N VAL A 42 7.898 -8.532 1.607 1.00 51.41 N ATOM 779 CA VAL A 42 8.431 -9.747 2.216 1.00 23.01 C ATOM 780 C VAL A 42 7.244 -10.600 2.689 1.00 3.20 C ATOM 781 O VAL A 42 6.825 -10.509 3.844 1.00 70.04 O ATOM 782 CB VAL A 42 9.403 -9.477 3.409 1.00 64.41 C ATOM 783 CG1 VAL A 42 10.048 -10.770 3.952 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.503 -8.460 3.066 1.00 14.34 C ATOM 0 H VAL A 42 7.138 -8.107 2.138 1.00 51.41 H new ATOM 0 HA VAL A 42 9.025 -10.265 1.463 1.00 23.01 H new ATOM 0 HB VAL A 42 8.774 -9.048 4.190 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.714 -10.525 4.779 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.268 -11.446 4.302 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.618 -11.253 3.159 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.147 -8.314 3.933 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.097 -8.834 2.232 1.00 14.34 H new ATOM 0 HG23 VAL A 42 10.046 -7.510 2.789 1.00 14.34 H new ATOM 794 N GLN A 43 6.727 -11.430 1.771 1.00 45.20 N ATOM 795 CA GLN A 43 5.799 -12.506 2.099 1.00 44.04 C ATOM 796 C GLN A 43 6.558 -13.621 2.838 1.00 71.32 C ATOM 797 O GLN A 43 7.609 -14.061 2.371 1.00 74.35 O ATOM 798 CB GLN A 43 5.126 -13.021 0.810 1.00 3.31 C ATOM 799 CG GLN A 43 4.065 -14.117 1.064 1.00 64.03 C ATOM 800 CD GLN A 43 3.482 -14.734 -0.210 1.00 22.32 C ATOM 801 OE1 GLN A 43 3.905 -14.434 -1.325 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.508 -15.627 -0.037 1.00 42.23 N ATOM 0 H GLN A 43 6.946 -11.368 0.777 1.00 45.20 H new ATOM 0 HA GLN A 43 5.011 -12.141 2.758 1.00 44.04 H new ATOM 0 HB2 GLN A 43 4.655 -12.183 0.296 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.892 -13.416 0.142 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.513 -14.908 1.665 1.00 64.03 H new ATOM 0 HG3 GLN A 43 3.252 -13.691 1.652 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.183 -15.851 0.903 1.00 42.23 H new ATOM 0 HE22 GLN A 43 2.088 -16.087 -0.845 1.00 42.23 H new ATOM 811 N ASN A 44 5.990 -14.063 3.966 1.00 2.11 N ATOM 812 CA ASN A 44 6.491 -15.171 4.771 1.00 73.01 C ATOM 813 C ASN A 44 5.288 -16.039 5.153 1.00 14.21 C ATOM 814 O ASN A 44 4.801 -15.995 6.284 1.00 13.54 O ATOM 815 CB ASN A 44 7.414 -14.675 5.921 1.00 31.31 C ATOM 816 CG ASN A 44 6.830 -13.659 6.910 1.00 43.35 C ATOM 817 OD1 ASN A 44 6.541 -14.009 8.052 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.692 -12.394 6.501 1.00 60.41 N ATOM 0 H ASN A 44 5.144 -13.643 4.351 1.00 2.11 H new ATOM 0 HA ASN A 44 7.170 -15.820 4.218 1.00 73.01 H new ATOM 0 HB2 ASN A 44 7.742 -15.546 6.488 1.00 31.31 H new ATOM 0 HB3 ASN A 44 8.304 -14.234 5.472 1.00 31.31 H new ATOM 0 HD21 ASN A 44 6.338 -11.686 7.144 1.00 60.41 H new ATOM 0 HD22 ASN A 44 6.941 -12.137 5.546 1.00 60.41 H new ATOM 825 N GLY A 45 4.804 -16.787 4.144 1.00 43.22 N ATOM 826 CA GLY A 45 3.604 -17.611 4.219 1.00 0.52 C ATOM 827 C GLY A 45 2.373 -16.701 4.204 1.00 45.51 C ATOM 828 O GLY A 45 2.204 -15.890 3.291 1.00 72.23 O ATOM 0 H GLY A 45 5.257 -16.829 3.231 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.570 -18.304 3.378 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.617 -18.213 5.128 1.00 0.52 H new ATOM 832 N LYS A 46 1.517 -16.864 5.224 1.00 30.04 N ATOM 833 CA LYS A 46 0.341 -16.033 5.479 1.00 51.45 C ATOM 834 C LYS A 46 0.665 -14.620 5.996 1.00 0.32 C ATOM 835 O LYS A 46 -0.103 -13.704 5.701 1.00 74.42 O ATOM 836 CB LYS A 46 -0.622 -16.796 6.418 1.00 21.31 C ATOM 837 CG LYS A 46 -1.751 -17.518 5.664 1.00 1.33 C ATOM 838 CD LYS A 46 -2.816 -16.532 5.152 1.00 73.32 C ATOM 839 CE LYS A 46 -3.882 -17.159 4.244 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.753 -18.087 4.982 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.633 -17.605 5.915 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.147 -15.854 4.521 1.00 51.45 H new ATOM 0 HB2 LYS A 46 -0.055 -17.525 6.996 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -1.058 -16.095 7.129 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.332 -18.070 4.823 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -2.219 -18.249 6.323 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -3.311 -16.074 6.009 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.318 -15.731 4.606 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.487 -16.371 3.797 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -3.396 -17.690 3.426 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.460 -18.490 4.334 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -4.179 -18.853 5.388 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -5.237 -17.575 5.747 1.00 43.32 H new ATOM 854 N HIS A 47 1.794 -14.458 6.711 1.00 24.14 N ATOM 855 CA HIS A 47 2.343 -13.150 7.081 1.00 22.41 C ATOM 856 C HIS A 47 2.940 -12.437 5.856 1.00 14.04 C ATOM 857 O HIS A 47 3.372 -13.086 4.901 1.00 43.50 O ATOM 858 CB HIS A 47 3.395 -13.297 8.205 1.00 50.02 C ATOM 859 CG HIS A 47 3.008 -12.728 9.548 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.632 -11.407 9.729 1.00 34.41 N ATOM 861 CD2 HIS A 47 2.972 -13.295 10.803 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.396 -11.238 11.033 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.581 -12.342 11.745 1.00 65.34 N ATOM 0 H HIS A 47 2.352 -15.242 7.049 1.00 24.14 H new ATOM 0 HA HIS A 47 1.527 -12.534 7.460 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.618 -14.356 8.331 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.316 -12.814 7.879 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.551 -10.696 9.002 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.211 -14.325 11.025 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.086 -10.298 11.464 1.00 74.35 H new ATOM 871 N PHE A 48 2.940 -11.101 5.916 1.00 64.22 N ATOM 872 CA PHE A 48 3.291 -10.229 4.806 1.00 21.45 C ATOM 873 C PHE A 48 3.823 -8.920 5.403 1.00 13.42 C ATOM 874 O PHE A 48 3.197 -8.366 6.305 1.00 2.42 O ATOM 875 CB PHE A 48 2.014 -10.002 3.969 1.00 52.14 C ATOM 876 CG PHE A 48 2.213 -9.505 2.550 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.625 -8.181 2.289 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.037 -10.393 1.468 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.768 -7.747 0.979 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.188 -9.940 0.167 1.00 52.34 C ATOM 881 CZ PHE A 48 2.534 -8.619 -0.076 1.00 60.00 C ATOM 0 H PHE A 48 2.689 -10.590 6.762 1.00 64.22 H new ATOM 0 HA PHE A 48 4.057 -10.655 4.158 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.462 -10.941 3.927 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.384 -9.286 4.496 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.829 -7.507 3.108 1.00 75.01 H new ATOM 0 HD2 PHE A 48 1.784 -11.427 1.654 1.00 65.05 H new ATOM 0 HE1 PHE A 48 3.062 -6.727 0.779 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.036 -10.618 -0.660 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.622 -8.266 -1.093 1.00 60.00 H new ATOM 891 N LYS A 49 4.950 -8.444 4.862 1.00 3.35 N ATOM 892 CA LYS A 49 5.601 -7.193 5.242 1.00 52.41 C ATOM 893 C LYS A 49 5.644 -6.279 4.008 1.00 72.32 C ATOM 894 O LYS A 49 5.742 -6.781 2.887 1.00 11.52 O ATOM 895 CB LYS A 49 7.018 -7.518 5.769 1.00 41.21 C ATOM 896 CG LYS A 49 7.395 -6.784 7.065 1.00 22.14 C ATOM 897 CD LYS A 49 8.722 -7.302 7.647 1.00 12.30 C ATOM 898 CE LYS A 49 9.106 -6.666 8.992 1.00 43.24 C ATOM 899 NZ LYS A 49 9.378 -5.226 8.860 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.448 -8.939 4.122 1.00 3.35 H new ATOM 0 HA LYS A 49 5.056 -6.677 6.032 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.092 -8.592 5.939 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.746 -7.266 4.998 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.477 -5.715 6.867 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.601 -6.912 7.800 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.654 -8.382 7.774 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.520 -7.115 6.928 1.00 12.30 H new ATOM 0 HE2 LYS A 49 8.300 -6.819 9.709 1.00 43.24 H new ATOM 0 HE3 LYS A 49 9.988 -7.167 9.392 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 9.633 -4.834 9.789 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.164 -5.081 8.195 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 8.529 -4.744 8.503 1.00 54.54 H new ATOM 913 N PHE A 50 5.566 -4.961 4.237 1.00 44.13 N ATOM 914 CA PHE A 50 5.524 -3.949 3.181 1.00 1.25 C ATOM 915 C PHE A 50 6.319 -2.738 3.690 1.00 11.43 C ATOM 916 O PHE A 50 5.814 -1.996 4.534 1.00 12.42 O ATOM 917 CB PHE A 50 4.039 -3.621 2.847 1.00 51.44 C ATOM 918 CG PHE A 50 3.666 -3.610 1.372 1.00 4.32 C ATOM 919 CD1 PHE A 50 2.414 -4.119 0.962 1.00 73.22 C ATOM 920 CD2 PHE A 50 4.480 -2.962 0.417 1.00 72.15 C ATOM 921 CE1 PHE A 50 2.031 -4.047 -0.371 1.00 21.11 C ATOM 922 CE2 PHE A 50 4.076 -2.891 -0.910 1.00 61.23 C ATOM 923 CZ PHE A 50 2.861 -3.439 -1.304 1.00 22.42 C ATOM 0 H PHE A 50 5.530 -4.565 5.176 1.00 44.13 H new ATOM 0 HA PHE A 50 5.976 -4.291 2.250 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.406 -4.348 3.355 1.00 51.44 H new ATOM 0 HB3 PHE A 50 3.802 -2.644 3.267 1.00 51.44 H new ATOM 0 HD1 PHE A 50 1.752 -4.566 1.688 1.00 73.22 H new ATOM 0 HD2 PHE A 50 5.418 -2.521 0.719 1.00 72.15 H new ATOM 0 HE1 PHE A 50 1.085 -4.465 -0.683 1.00 21.11 H new ATOM 0 HE2 PHE A 50 4.709 -2.408 -1.639 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.561 -3.392 -2.340 1.00 22.42 H new ATOM 933 N THR A 51 7.557 -2.577 3.199 1.00 53.25 N ATOM 934 CA THR A 51 8.467 -1.508 3.619 1.00 42.45 C ATOM 935 C THR A 51 8.625 -0.490 2.472 1.00 21.42 C ATOM 936 O THR A 51 9.460 -0.681 1.588 1.00 40.20 O ATOM 937 CB THR A 51 9.866 -2.050 4.027 1.00 72.25 C ATOM 938 OG1 THR A 51 9.741 -3.136 4.925 1.00 1.10 O ATOM 939 CG2 THR A 51 10.788 -0.996 4.660 1.00 30.11 C ATOM 0 H THR A 51 7.956 -3.194 2.491 1.00 53.25 H new ATOM 0 HA THR A 51 8.031 -1.031 4.497 1.00 42.45 H new ATOM 0 HB THR A 51 10.329 -2.368 3.093 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.358 -3.850 4.662 1.00 1.10 H new ATOM 0 HG21 THR A 51 11.743 -1.455 4.916 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.953 -0.184 3.951 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.322 -0.600 5.563 1.00 30.11 H new ATOM 947 N ILE A 52 7.781 0.552 2.488 1.00 41.33 N ATOM 948 CA ILE A 52 7.737 1.588 1.454 1.00 54.14 C ATOM 949 C ILE A 52 8.435 2.852 1.979 1.00 24.44 C ATOM 950 O ILE A 52 8.106 3.317 3.066 1.00 45.15 O ATOM 951 CB ILE A 52 6.267 1.938 1.065 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.546 0.699 0.484 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.157 3.132 0.086 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.029 0.875 0.317 1.00 33.33 C ATOM 0 H ILE A 52 7.100 0.698 3.233 1.00 41.33 H new ATOM 0 HA ILE A 52 8.246 1.211 0.567 1.00 54.14 H new ATOM 0 HB ILE A 52 5.775 2.247 1.987 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.982 0.460 -0.486 1.00 20.40 H new ATOM 0 HG13 ILE A 52 5.732 -0.155 1.136 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.108 3.320 -0.142 1.00 55.04 H new ATOM 0 HG22 ILE A 52 6.594 4.019 0.544 1.00 55.04 H new ATOM 0 HG23 ILE A 52 6.692 2.898 -0.835 1.00 55.04 H new ATOM 0 HD11 ILE A 52 3.600 -0.038 -0.095 1.00 33.33 H new ATOM 0 HD12 ILE A 52 3.578 1.082 1.287 1.00 33.33 H new ATOM 0 HD13 ILE A 52 3.831 1.706 -0.360 1.00 33.33 H new ATOM 966 N THR A 53 9.365 3.394 1.184 1.00 22.12 N ATOM 967 CA THR A 53 10.127 4.597 1.504 1.00 13.34 C ATOM 968 C THR A 53 10.010 5.633 0.373 1.00 63.33 C ATOM 969 O THR A 53 9.827 5.263 -0.787 1.00 3.11 O ATOM 970 CB THR A 53 11.616 4.247 1.816 1.00 54.14 C ATOM 971 OG1 THR A 53 12.428 5.389 2.009 1.00 44.35 O ATOM 972 CG2 THR A 53 12.341 3.425 0.750 1.00 4.54 C ATOM 0 H THR A 53 9.611 2.995 0.278 1.00 22.12 H new ATOM 0 HA THR A 53 9.703 5.044 2.403 1.00 13.34 H new ATOM 0 HB THR A 53 11.503 3.657 2.725 1.00 54.14 H new ATOM 0 HG1 THR A 53 11.947 6.043 2.557 1.00 44.35 H new ATOM 0 HG21 THR A 53 13.367 3.239 1.069 1.00 4.54 H new ATOM 0 HG22 THR A 53 11.826 2.474 0.611 1.00 4.54 H new ATOM 0 HG23 THR A 53 12.347 3.975 -0.191 1.00 4.54 H new ATOM 980 N ALA A 54 10.096 6.914 0.761 1.00 2.35 N ATOM 981 CA ALA A 54 10.118 8.083 -0.112 1.00 30.14 C ATOM 982 C ALA A 54 11.570 8.555 -0.316 1.00 24.35 C ATOM 983 O ALA A 54 12.496 7.745 -0.246 1.00 5.40 O ATOM 984 CB ALA A 54 9.216 9.161 0.521 1.00 75.44 C ATOM 0 H ALA A 54 10.155 7.169 1.747 1.00 2.35 H new ATOM 0 HA ALA A 54 9.730 7.851 -1.104 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.212 10.049 -0.111 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.200 8.777 0.613 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.597 9.420 1.509 1.00 75.44 H new ATOM 990 N GLY A 55 11.748 9.859 -0.576 1.00 72.42 N ATOM 991 CA GLY A 55 13.054 10.481 -0.765 1.00 34.33 C ATOM 992 C GLY A 55 13.690 10.964 0.548 1.00 33.32 C ATOM 993 O GLY A 55 14.785 11.522 0.488 1.00 61.42 O ATOM 0 H GLY A 55 10.972 10.516 -0.661 1.00 72.42 H new ATOM 0 HA2 GLY A 55 13.723 9.767 -1.244 1.00 34.33 H new ATOM 0 HA3 GLY A 55 12.951 11.327 -1.444 1.00 34.33 H new ATOM 997 N SER A 56 13.025 10.805 1.710 1.00 24.25 N ATOM 998 CA SER A 56 13.484 11.381 2.979 1.00 51.21 C ATOM 999 C SER A 56 12.924 10.670 4.235 1.00 11.32 C ATOM 1000 O SER A 56 13.138 11.176 5.336 1.00 13.10 O ATOM 1001 CB SER A 56 13.206 12.907 2.955 1.00 20.12 C ATOM 1002 OG SER A 56 13.930 13.628 3.932 1.00 2.14 O ATOM 0 H SER A 56 12.158 10.274 1.790 1.00 24.25 H new ATOM 0 HA SER A 56 14.558 11.215 3.066 1.00 51.21 H new ATOM 0 HB2 SER A 56 13.454 13.298 1.968 1.00 20.12 H new ATOM 0 HB3 SER A 56 12.140 13.076 3.106 1.00 20.12 H new ATOM 0 HG SER A 56 13.954 13.115 4.767 1.00 2.14 H new ATOM 1008 N LYS A 57 12.250 9.512 4.084 1.00 73.31 N ATOM 1009 CA LYS A 57 11.764 8.693 5.204 1.00 20.53 C ATOM 1010 C LYS A 57 11.314 7.298 4.742 1.00 63.12 C ATOM 1011 O LYS A 57 10.912 7.145 3.590 1.00 14.45 O ATOM 1012 CB LYS A 57 10.627 9.404 5.982 1.00 73.21 C ATOM 1013 CG LYS A 57 9.344 9.725 5.179 1.00 2.02 C ATOM 1014 CD LYS A 57 8.090 9.719 6.068 1.00 74.54 C ATOM 1015 CE LYS A 57 7.605 8.291 6.372 1.00 51.10 C ATOM 1016 NZ LYS A 57 6.718 8.242 7.545 1.00 41.34 N1+ ATOM 0 H LYS A 57 12.027 9.118 3.170 1.00 73.31 H new ATOM 0 HA LYS A 57 12.607 8.562 5.883 1.00 20.53 H new ATOM 0 HB2 LYS A 57 10.352 8.780 6.832 1.00 73.21 H new ATOM 0 HB3 LYS A 57 11.020 10.337 6.386 1.00 73.21 H new ATOM 0 HG2 LYS A 57 9.448 10.701 4.706 1.00 2.02 H new ATOM 0 HG3 LYS A 57 9.225 8.994 4.379 1.00 2.02 H new ATOM 0 HD2 LYS A 57 8.306 10.235 7.003 1.00 74.54 H new ATOM 0 HD3 LYS A 57 7.293 10.275 5.574 1.00 74.54 H new ATOM 0 HE2 LYS A 57 7.078 7.896 5.504 1.00 51.10 H new ATOM 0 HE3 LYS A 57 8.466 7.645 6.543 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 6.553 7.251 7.814 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.163 8.747 8.338 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 5.810 8.694 7.313 1.00 41.34 H new ATOM 1030 N VAL A 58 11.347 6.327 5.673 1.00 22.24 N ATOM 1031 CA VAL A 58 10.869 4.951 5.490 1.00 72.31 C ATOM 1032 C VAL A 58 9.601 4.728 6.342 1.00 12.04 C ATOM 1033 O VAL A 58 9.505 5.259 7.449 1.00 53.43 O ATOM 1034 CB VAL A 58 11.937 3.907 5.951 1.00 15.54 C ATOM 1035 CG1 VAL A 58 11.510 2.440 5.724 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.317 4.134 5.303 1.00 53.14 C ATOM 0 H VAL A 58 11.722 6.489 6.608 1.00 22.24 H new ATOM 0 HA VAL A 58 10.664 4.815 4.428 1.00 72.31 H new ATOM 0 HB VAL A 58 12.017 4.075 7.025 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.301 1.773 6.068 1.00 21.52 H new ATOM 0 HG12 VAL A 58 10.596 2.237 6.282 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.331 2.273 4.662 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.016 3.379 5.662 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.227 4.060 4.219 1.00 53.14 H new ATOM 0 HG23 VAL A 58 13.685 5.125 5.569 1.00 53.14 H new ATOM 1046 N ILE A 59 8.669 3.922 5.811 1.00 52.34 N ATOM 1047 CA ILE A 59 7.449 3.449 6.473 1.00 63.31 C ATOM 1048 C ILE A 59 7.544 1.912 6.518 1.00 31.44 C ATOM 1049 O ILE A 59 7.999 1.312 5.541 1.00 30.30 O ATOM 1050 CB ILE A 59 6.165 3.791 5.653 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.099 5.273 5.223 1.00 32.22 C ATOM 1052 CG2 ILE A 59 4.858 3.401 6.375 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.264 5.500 3.957 1.00 31.01 C ATOM 0 H ILE A 59 8.753 3.566 4.859 1.00 52.34 H new ATOM 0 HA ILE A 59 7.375 3.921 7.453 1.00 63.31 H new ATOM 0 HB ILE A 59 6.250 3.178 4.755 1.00 40.23 H new ATOM 0 HG12 ILE A 59 5.678 5.862 6.038 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.111 5.640 5.053 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.005 3.666 5.751 1.00 4.45 H new ATOM 0 HG22 ILE A 59 4.852 2.327 6.561 1.00 4.45 H new ATOM 0 HG23 ILE A 59 4.793 3.934 7.323 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.259 6.562 3.710 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.697 4.937 3.130 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.242 5.163 4.130 1.00 31.01 H new ATOM 1065 N GLN A 60 7.116 1.306 7.635 1.00 13.05 N ATOM 1066 CA GLN A 60 7.153 -0.142 7.839 1.00 21.24 C ATOM 1067 C GLN A 60 5.756 -0.635 8.226 1.00 24.42 C ATOM 1068 O GLN A 60 5.186 -0.149 9.202 1.00 55.10 O ATOM 1069 CB GLN A 60 8.194 -0.494 8.923 1.00 12.44 C ATOM 1070 CG GLN A 60 9.651 -0.195 8.503 1.00 71.21 C ATOM 1071 CD GLN A 60 10.340 0.851 9.380 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.295 0.537 10.087 1.00 22.25 O ATOM 1073 NE2 GLN A 60 9.867 2.098 9.335 1.00 2.35 N ATOM 0 H GLN A 60 6.731 1.817 8.429 1.00 13.05 H new ATOM 0 HA GLN A 60 7.451 -0.640 6.916 1.00 21.24 H new ATOM 0 HB2 GLN A 60 7.964 0.065 9.830 1.00 12.44 H new ATOM 0 HB3 GLN A 60 8.106 -1.552 9.169 1.00 12.44 H new ATOM 0 HG2 GLN A 60 10.227 -1.120 8.536 1.00 71.21 H new ATOM 0 HG3 GLN A 60 9.659 0.149 7.469 1.00 71.21 H new ATOM 0 HE21 GLN A 60 9.072 2.321 8.736 1.00 2.35 H new ATOM 0 HE22 GLN A 60 10.300 2.828 9.900 1.00 2.35 H new ATOM 1082 N ASN A 61 5.238 -1.594 7.446 1.00 15.02 N ATOM 1083 CA ASN A 61 3.955 -2.263 7.672 1.00 22.04 C ATOM 1084 C ASN A 61 4.197 -3.766 7.821 1.00 12.24 C ATOM 1085 O ASN A 61 5.104 -4.312 7.193 1.00 1.30 O ATOM 1086 CB ASN A 61 3.006 -2.038 6.467 1.00 74.13 C ATOM 1087 CG ASN A 61 2.490 -0.610 6.239 1.00 14.54 C ATOM 1088 OD1 ASN A 61 1.754 -0.377 5.284 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.833 0.347 7.097 1.00 71.34 N ATOM 0 H ASN A 61 5.719 -1.935 6.613 1.00 15.02 H new ATOM 0 HA ASN A 61 3.499 -1.852 8.573 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.525 -2.358 5.564 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.144 -2.694 6.589 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.483 1.297 6.968 1.00 71.34 H new ATOM 0 HD22 ASN A 61 3.446 0.131 7.883 1.00 71.34 H new ATOM 1096 N GLU A 62 3.319 -4.406 8.604 1.00 11.32 N ATOM 1097 CA GLU A 62 3.202 -5.855 8.696 1.00 10.11 C ATOM 1098 C GLU A 62 1.736 -6.214 8.963 1.00 4.42 C ATOM 1099 O GLU A 62 1.045 -5.504 9.694 1.00 11.11 O ATOM 1100 CB GLU A 62 4.173 -6.418 9.757 1.00 64.34 C ATOM 1101 CG GLU A 62 4.165 -7.960 9.852 1.00 12.24 C ATOM 1102 CD GLU A 62 5.187 -8.484 10.859 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.391 -8.250 10.621 1.00 25.35 O ATOM 1104 OE2 GLU A 62 4.747 -9.114 11.844 1.00 52.24 O1- ATOM 0 H GLU A 62 2.657 -3.912 9.203 1.00 11.32 H new ATOM 0 HA GLU A 62 3.494 -6.322 7.755 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.184 -6.083 9.526 1.00 64.34 H new ATOM 0 HB3 GLU A 62 3.914 -6.002 10.731 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.169 -8.299 10.138 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.376 -8.383 8.870 1.00 12.24 H new ATOM 1111 N PHE A 63 1.305 -7.324 8.353 1.00 45.12 N ATOM 1112 CA PHE A 63 -0.037 -7.876 8.473 1.00 45.42 C ATOM 1113 C PHE A 63 -0.037 -9.369 8.130 1.00 52.20 C ATOM 1114 O PHE A 63 0.938 -9.876 7.580 1.00 63.22 O ATOM 1115 CB PHE A 63 -1.043 -7.059 7.625 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.747 -6.963 6.136 1.00 72.14 C ATOM 1117 CD1 PHE A 63 0.103 -5.945 5.657 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.190 -7.964 5.243 1.00 4.21 C ATOM 1119 CE1 PHE A 63 0.417 -5.877 4.308 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -0.862 -7.879 3.897 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.078 -6.831 3.432 1.00 51.51 C ATOM 0 H PHE A 63 1.907 -7.877 7.743 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.367 -7.794 9.509 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -2.032 -7.499 7.750 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -1.091 -6.048 8.030 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.510 -5.217 6.342 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.781 -8.792 5.606 1.00 4.21 H new ATOM 0 HE1 PHE A 63 1.047 -5.081 3.940 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.218 -8.631 3.208 1.00 1.52 H new ATOM 0 HZ PHE A 63 0.148 -6.759 2.378 1.00 51.51 H new ATOM 1131 N THR A 64 -1.152 -10.032 8.454 1.00 74.12 N ATOM 1132 CA THR A 64 -1.433 -11.408 8.061 1.00 13.51 C ATOM 1133 C THR A 64 -2.709 -11.391 7.210 1.00 22.02 C ATOM 1134 O THR A 64 -3.705 -10.798 7.629 1.00 1.35 O ATOM 1135 CB THR A 64 -1.657 -12.315 9.298 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.472 -12.342 10.063 1.00 42.04 O ATOM 1137 CG2 THR A 64 -2.039 -13.773 8.988 1.00 4.13 C ATOM 0 H THR A 64 -1.898 -9.613 9.009 1.00 74.12 H new ATOM 0 HA THR A 64 -0.584 -11.808 7.506 1.00 13.51 H new ATOM 0 HB THR A 64 -2.504 -11.876 9.824 1.00 73.13 H new ATOM 0 HG1 THR A 64 0.262 -11.951 9.544 1.00 42.04 H new ATOM 0 HG21 THR A 64 -2.172 -14.320 9.921 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.969 -13.793 8.420 1.00 4.13 H new ATOM 0 HG23 THR A 64 -1.247 -14.240 8.403 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.640 -12.009 6.020 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.715 -12.016 5.028 1.00 33.33 C ATOM 1147 C VAL A 65 -4.894 -12.884 5.522 1.00 61.03 C ATOM 1148 O VAL A 65 -4.793 -14.109 5.510 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.208 -12.525 3.644 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.307 -12.607 2.563 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.058 -11.650 3.111 1.00 40.35 C ATOM 0 H VAL A 65 -1.815 -12.528 5.719 1.00 11.41 H new ATOM 0 HA VAL A 65 -4.060 -10.990 4.900 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.858 -13.539 3.835 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.874 -12.969 1.631 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.089 -13.292 2.890 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.735 -11.617 2.404 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.728 -12.032 2.145 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.405 -10.623 2.996 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.226 -11.675 3.815 1.00 40.35 H new ATOM 1161 N GLY A 66 -5.966 -12.220 5.980 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.139 -12.860 6.575 1.00 0.44 C ATOM 1163 C GLY A 66 -7.390 -12.406 8.022 1.00 33.05 C ATOM 1164 O GLY A 66 -8.432 -12.768 8.565 1.00 40.34 O ATOM 0 H GLY A 66 -6.039 -11.203 5.944 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.017 -12.635 5.970 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.007 -13.942 6.555 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.483 -11.624 8.635 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.591 -11.131 10.014 1.00 22.42 C ATOM 1170 C GLU A 67 -6.503 -9.599 10.073 1.00 3.42 C ATOM 1171 O GLU A 67 -5.924 -8.970 9.184 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.456 -11.746 10.864 1.00 4.45 C ATOM 1173 CG GLU A 67 -5.529 -13.270 11.105 1.00 21.52 C ATOM 1174 CD GLU A 67 -6.575 -13.688 12.146 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -6.169 -14.378 13.106 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -7.759 -13.328 11.970 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.632 -11.311 8.169 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.563 -11.428 10.408 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.506 -11.522 10.379 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.445 -11.247 11.833 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -5.753 -13.766 10.161 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -4.550 -13.624 11.427 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.064 -9.044 11.159 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.022 -7.624 11.508 1.00 12.35 C ATOM 1185 C GLU A 68 -5.633 -7.234 12.028 1.00 34.40 C ATOM 1186 O GLU A 68 -5.165 -7.818 13.008 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.088 -7.326 12.582 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.536 -7.529 12.093 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.598 -7.288 13.167 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.767 -7.629 12.876 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -10.248 -6.768 14.249 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.579 -9.599 11.843 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.231 -7.037 10.614 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -7.912 -7.969 13.444 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -7.970 -6.297 12.922 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.723 -6.857 11.255 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -9.641 -8.546 11.715 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.015 -6.242 11.370 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.712 -5.677 11.721 1.00 70.35 C ATOM 1200 C CYS A 69 -3.760 -4.163 11.480 1.00 60.52 C ATOM 1201 O CYS A 69 -4.574 -3.702 10.679 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.573 -6.315 10.898 1.00 55.14 C ATOM 1203 SG CYS A 69 -2.247 -8.012 11.458 1.00 2.14 S ATOM 0 H CYS A 69 -5.427 -5.798 10.550 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.505 -5.888 12.770 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.841 -6.321 9.841 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -1.668 -5.715 10.994 1.00 55.14 H new ATOM 0 HG CYS A 69 -3.245 -8.431 12.177 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.884 -3.419 12.176 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.791 -1.963 12.081 1.00 5.34 C ATOM 1211 C GLU A 70 -1.656 -1.566 11.120 1.00 21.04 C ATOM 1212 O GLU A 70 -0.515 -1.993 11.309 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.614 -1.379 13.497 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.826 0.143 13.540 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.687 0.698 14.956 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -3.692 0.633 15.700 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -1.573 1.173 15.270 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.213 -3.824 12.829 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.707 -1.546 11.664 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.319 -1.860 14.175 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.613 -1.613 13.860 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -2.101 0.629 12.887 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.816 0.383 13.152 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.012 -0.768 10.103 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.160 -0.372 8.983 1.00 51.44 C ATOM 1226 C LEU A 71 -0.763 1.103 9.154 1.00 52.25 C ATOM 1227 O LEU A 71 -1.648 1.953 9.275 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.957 -0.563 7.664 1.00 12.12 C ATOM 1229 CG LEU A 71 -2.098 -2.020 7.149 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -0.752 -2.637 6.751 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -2.910 -2.946 8.068 1.00 11.34 C ATOM 0 H LEU A 71 -2.947 -0.365 10.040 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.257 -0.982 8.953 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.957 -0.152 7.806 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.477 0.030 6.886 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.694 -1.930 6.241 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -0.909 -3.656 6.398 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -0.300 -2.043 5.956 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -0.088 -2.651 7.615 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -2.957 -3.943 7.630 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.430 -3.001 9.045 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -3.920 -2.552 8.182 1.00 11.34 H new ATOM 1243 N GLU A 72 0.554 1.380 9.137 1.00 31.40 N ATOM 1244 CA GLU A 72 1.122 2.729 9.224 1.00 14.02 C ATOM 1245 C GLU A 72 1.038 3.450 7.862 1.00 21.53 C ATOM 1246 O GLU A 72 1.500 2.914 6.855 1.00 23.03 O ATOM 1247 CB GLU A 72 2.579 2.640 9.738 1.00 41.41 C ATOM 1248 CG GLU A 72 3.224 4.008 10.050 1.00 41.14 C ATOM 1249 CD GLU A 72 4.675 3.907 10.530 1.00 41.24 C ATOM 1250 OE1 GLU A 72 5.019 4.688 11.444 1.00 4.01 O ATOM 1251 OE2 GLU A 72 5.425 3.082 9.961 1.00 22.04 O1- ATOM 0 H GLU A 72 1.265 0.652 9.061 1.00 31.40 H new ATOM 0 HA GLU A 72 0.542 3.321 9.932 1.00 14.02 H new ATOM 0 HB2 GLU A 72 2.598 2.028 10.640 1.00 41.41 H new ATOM 0 HB3 GLU A 72 3.185 2.127 8.992 1.00 41.41 H new ATOM 0 HG2 GLU A 72 3.189 4.629 9.155 1.00 41.14 H new ATOM 0 HG3 GLU A 72 2.632 4.514 10.813 1.00 41.14 H new ATOM 1258 N THR A 73 0.482 4.669 7.877 1.00 53.10 N ATOM 1259 CA THR A 73 0.372 5.586 6.738 1.00 22.32 C ATOM 1260 C THR A 73 1.613 6.513 6.671 1.00 73.14 C ATOM 1261 O THR A 73 2.365 6.575 7.645 1.00 51.31 O ATOM 1262 CB THR A 73 -0.913 6.455 6.899 1.00 61.01 C ATOM 1263 OG1 THR A 73 -2.024 5.607 7.130 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.284 7.349 5.702 1.00 13.44 C ATOM 0 H THR A 73 0.077 5.060 8.727 1.00 53.10 H new ATOM 0 HA THR A 73 0.315 5.004 5.818 1.00 22.32 H new ATOM 0 HB THR A 73 -0.680 7.121 7.730 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.834 6.149 7.234 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.193 7.905 5.931 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.472 8.048 5.505 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.450 6.728 4.822 1.00 13.44 H new ATOM 1272 N MET A 74 1.820 7.219 5.539 1.00 65.23 N ATOM 1273 CA MET A 74 2.936 8.157 5.298 1.00 15.22 C ATOM 1274 C MET A 74 3.185 9.206 6.399 1.00 61.53 C ATOM 1275 O MET A 74 4.341 9.523 6.677 1.00 63.41 O ATOM 1276 CB MET A 74 2.741 8.925 3.973 1.00 4.31 C ATOM 1277 CG MET A 74 2.739 8.081 2.692 1.00 63.10 C ATOM 1278 SD MET A 74 3.161 9.078 1.237 1.00 71.13 S ATOM 1279 CE MET A 74 3.122 7.813 -0.057 1.00 42.32 C ATOM 0 H MET A 74 1.191 7.148 4.739 1.00 65.23 H new ATOM 0 HA MET A 74 3.806 7.501 5.275 1.00 15.22 H new ATOM 0 HB2 MET A 74 1.797 9.467 4.027 1.00 4.31 H new ATOM 0 HB3 MET A 74 3.532 9.671 3.890 1.00 4.31 H new ATOM 0 HG2 MET A 74 3.452 7.263 2.793 1.00 63.10 H new ATOM 0 HG3 MET A 74 1.756 7.631 2.553 1.00 63.10 H new ATOM 0 HE1 MET A 74 3.362 8.268 -1.018 1.00 42.32 H new ATOM 0 HE2 MET A 74 3.854 7.038 0.170 1.00 42.32 H new ATOM 0 HE3 MET A 74 2.127 7.370 -0.103 1.00 42.32 H new ATOM 1289 N THR A 75 2.102 9.728 6.988 1.00 42.10 N ATOM 1290 CA THR A 75 2.101 10.766 8.022 1.00 73.34 C ATOM 1291 C THR A 75 2.391 10.236 9.444 1.00 4.34 C ATOM 1292 O THR A 75 2.534 11.051 10.355 1.00 65.22 O ATOM 1293 CB THR A 75 0.702 11.429 8.058 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.301 10.440 8.182 1.00 73.25 O ATOM 1295 CG2 THR A 75 0.402 12.255 6.803 1.00 62.31 C ATOM 0 H THR A 75 1.160 9.423 6.744 1.00 42.10 H new ATOM 0 HA THR A 75 2.898 11.461 7.757 1.00 73.34 H new ATOM 0 HB THR A 75 0.704 12.099 8.918 1.00 44.22 H new ATOM 0 HG1 THR A 75 -1.181 10.870 8.226 1.00 73.25 H new ATOM 0 HG21 THR A 75 -0.592 12.695 6.886 1.00 62.31 H new ATOM 0 HG22 THR A 75 1.143 13.048 6.704 1.00 62.31 H new ATOM 0 HG23 THR A 75 0.441 11.610 5.925 1.00 62.31 H new ATOM 1303 N GLY A 76 2.461 8.906 9.627 1.00 3.43 N ATOM 1304 CA GLY A 76 2.571 8.275 10.942 1.00 13.34 C ATOM 1305 C GLY A 76 1.187 8.050 11.579 1.00 34.01 C ATOM 1306 O GLY A 76 1.127 7.488 12.671 1.00 72.12 O ATOM 0 H GLY A 76 2.442 8.238 8.856 1.00 3.43 H new ATOM 0 HA2 GLY A 76 3.088 7.320 10.846 1.00 13.34 H new ATOM 0 HA3 GLY A 76 3.177 8.901 11.597 1.00 13.34 H new ATOM 1310 N GLU A 77 0.089 8.435 10.896 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.280 7.993 11.184 1.00 62.44 C ATOM 1312 C GLU A 77 -1.403 6.480 10.957 1.00 4.12 C ATOM 1313 O GLU A 77 -0.697 5.936 10.108 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.278 8.734 10.273 1.00 1.33 C ATOM 1315 CG GLU A 77 -2.418 10.235 10.583 1.00 21.25 C ATOM 1316 CD GLU A 77 -3.312 10.932 9.558 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -2.756 11.723 8.763 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -4.528 10.645 9.569 1.00 2.32 O1- ATOM 0 H GLU A 77 0.138 9.080 10.108 1.00 2.11 H new ATOM 0 HA GLU A 77 -1.509 8.220 12.225 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -1.963 8.616 9.236 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.256 8.262 10.365 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -2.836 10.365 11.581 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -1.433 10.701 10.586 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.271 5.823 11.734 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.382 4.366 11.737 1.00 62.24 C ATOM 1327 C LYS A 78 -3.861 3.966 11.716 1.00 52.53 C ATOM 1328 O LYS A 78 -4.687 4.640 12.333 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.638 3.792 12.960 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.175 4.266 13.094 1.00 12.42 C ATOM 1331 CD LYS A 78 0.656 3.473 14.111 1.00 34.14 C ATOM 1332 CE LYS A 78 1.124 2.114 13.575 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.864 1.365 14.602 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.913 6.288 12.376 1.00 34.45 H new ATOM 0 HA LYS A 78 -1.915 3.948 10.845 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.181 4.068 13.864 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -1.651 2.704 12.901 1.00 24.04 H new ATOM 0 HG2 LYS A 78 0.307 4.200 12.118 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.171 5.318 13.381 1.00 12.42 H new ATOM 0 HD2 LYS A 78 1.526 4.063 14.399 1.00 34.14 H new ATOM 0 HD3 LYS A 78 0.064 3.317 15.013 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.262 1.533 13.247 1.00 51.30 H new ATOM 0 HE3 LYS A 78 1.759 2.263 12.702 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 2.169 0.450 14.212 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.699 1.911 14.896 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.249 1.203 15.425 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.163 2.880 10.987 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.521 2.412 10.720 1.00 74.43 C ATOM 1349 C VAL A 79 -5.566 0.878 10.649 1.00 74.30 C ATOM 1350 O VAL A 79 -4.761 0.267 9.947 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.093 2.985 9.386 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.712 4.379 9.574 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.077 3.002 8.223 1.00 71.32 C ATOM 0 H VAL A 79 -3.448 2.292 10.559 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.135 2.770 11.546 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.881 2.287 9.102 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.097 4.738 8.619 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.527 4.321 10.295 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.951 5.068 9.941 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -5.551 3.414 7.332 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.221 3.619 8.497 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.741 1.985 8.018 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.539 0.296 11.371 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.847 -1.132 11.341 1.00 34.21 C ATOM 1365 C LYS A 80 -7.730 -1.503 10.148 1.00 52.24 C ATOM 1366 O LYS A 80 -8.616 -0.737 9.764 1.00 75.41 O ATOM 1367 CB LYS A 80 -7.448 -1.572 12.691 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.337 -1.926 13.695 1.00 31.13 C ATOM 1369 CD LYS A 80 -6.669 -1.680 15.171 1.00 52.13 C ATOM 1370 CE LYS A 80 -6.867 -0.188 15.486 1.00 31.42 C ATOM 1371 NZ LYS A 80 -6.455 0.135 16.862 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.142 0.822 12.003 1.00 63.33 H new ATOM 0 HA LYS A 80 -5.918 -1.684 11.198 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.069 -0.772 13.096 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.097 -2.435 12.541 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.082 -2.978 13.570 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -5.447 -1.350 13.441 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -7.574 -2.227 15.433 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -5.866 -2.076 15.792 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -6.290 0.413 14.783 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -7.915 0.078 15.348 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -7.000 0.951 17.205 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -6.632 -0.684 17.479 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -5.441 0.366 16.876 1.00 4.01 H new ATOM 1385 N THR A 81 -7.441 -2.686 9.596 1.00 10.31 N ATOM 1386 CA THR A 81 -8.069 -3.243 8.407 1.00 71.10 C ATOM 1387 C THR A 81 -7.639 -4.716 8.254 1.00 11.10 C ATOM 1388 O THR A 81 -6.616 -5.120 8.816 1.00 2.42 O ATOM 1389 CB THR A 81 -7.670 -2.442 7.128 1.00 64.15 C ATOM 1390 OG1 THR A 81 -8.374 -2.896 5.991 1.00 65.32 O ATOM 1391 CG2 THR A 81 -6.171 -2.477 6.778 1.00 11.32 C ATOM 0 H THR A 81 -6.731 -3.304 9.988 1.00 10.31 H new ATOM 0 HA THR A 81 -9.151 -3.177 8.521 1.00 71.10 H new ATOM 0 HB THR A 81 -7.933 -1.415 7.383 1.00 64.15 H new ATOM 0 HG1 THR A 81 -7.750 -3.008 5.243 1.00 65.32 H new ATOM 0 HG21 THR A 81 -5.994 -1.892 5.875 1.00 11.32 H new ATOM 0 HG22 THR A 81 -5.595 -2.055 7.602 1.00 11.32 H new ATOM 0 HG23 THR A 81 -5.861 -3.508 6.609 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.414 -5.477 7.471 1.00 12.10 N ATOM 1400 CA VAL A 82 -8.052 -6.818 7.025 1.00 65.00 C ATOM 1401 C VAL A 82 -7.629 -6.722 5.550 1.00 15.30 C ATOM 1402 O VAL A 82 -8.401 -6.227 4.725 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.249 -7.807 7.126 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.898 -9.227 6.637 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.795 -7.885 8.561 1.00 75.14 C ATOM 0 H VAL A 82 -9.323 -5.169 7.127 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.250 -7.192 7.661 1.00 65.00 H new ATOM 0 HB VAL A 82 -10.017 -7.405 6.466 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.772 -9.871 6.732 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.589 -9.186 5.593 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -8.084 -9.629 7.241 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.630 -8.585 8.595 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -9.007 -8.227 9.232 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -10.135 -6.898 8.875 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.417 -7.209 5.248 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.912 -7.314 3.882 1.00 54.31 C ATOM 1417 C VAL A 83 -6.239 -8.720 3.338 1.00 42.34 C ATOM 1418 O VAL A 83 -6.117 -9.703 4.068 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.376 -7.090 3.805 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.848 -7.111 2.354 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.943 -5.783 4.500 1.00 52.03 C ATOM 0 H VAL A 83 -5.759 -7.542 5.953 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.393 -6.538 3.287 1.00 54.31 H new ATOM 0 HB VAL A 83 -3.931 -7.929 4.340 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.770 -6.950 2.357 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.069 -8.077 1.900 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.331 -6.321 1.779 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.862 -5.669 4.420 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.433 -4.936 4.020 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.228 -5.819 5.552 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.663 -8.769 2.068 1.00 61.33 N ATOM 1432 CA GLN A 84 -7.070 -9.972 1.343 1.00 41.54 C ATOM 1433 C GLN A 84 -6.289 -10.120 0.031 1.00 4.15 C ATOM 1434 O GLN A 84 -5.525 -9.230 -0.334 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.596 -9.909 1.091 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.462 -10.107 2.353 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.286 -11.470 3.033 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -8.810 -12.433 2.433 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.706 -11.564 4.295 1.00 32.13 N ATOM 0 H GLN A 84 -6.734 -7.929 1.494 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.842 -10.853 1.943 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.839 -8.943 0.647 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.862 -10.672 0.360 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.222 -9.323 3.071 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.511 -9.982 2.083 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -10.096 -10.747 4.765 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -9.637 -12.453 4.791 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.498 -11.261 -0.646 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.916 -11.594 -1.945 1.00 51.31 C ATOM 1450 C LEU A 85 -6.995 -12.329 -2.758 1.00 54.41 C ATOM 1451 O LEU A 85 -7.561 -13.300 -2.255 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.635 -12.439 -1.718 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.595 -12.440 -2.866 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.275 -13.082 -2.385 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -4.086 -13.117 -4.155 1.00 64.25 C ATOM 0 H LEU A 85 -7.100 -12.001 -0.285 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.612 -10.711 -2.507 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -4.145 -12.079 -0.814 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -4.935 -13.470 -1.529 1.00 65.52 H new ATOM 0 HG LEU A 85 -3.428 -11.395 -3.127 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -1.550 -13.078 -3.199 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -1.879 -12.513 -1.544 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.463 -14.109 -2.072 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -3.300 -13.076 -4.909 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -4.336 -14.157 -3.947 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.971 -12.598 -4.524 1.00 64.25 H new ATOM 1467 N GLU A 86 -7.266 -11.855 -3.987 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.345 -12.357 -4.853 1.00 12.40 C ATOM 1469 C GLU A 86 -7.920 -13.484 -5.825 1.00 63.23 C ATOM 1470 O GLU A 86 -8.562 -13.668 -6.859 1.00 40.13 O ATOM 1471 CB GLU A 86 -9.043 -11.166 -5.549 1.00 41.14 C ATOM 1472 CG GLU A 86 -8.167 -10.358 -6.530 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.918 -9.188 -7.173 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -8.240 -8.180 -7.468 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -10.148 -9.309 -7.365 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.731 -11.098 -4.413 1.00 40.40 H new ATOM 0 HA GLU A 86 -9.072 -12.858 -4.213 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.910 -11.543 -6.091 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -9.417 -10.488 -4.781 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -7.294 -9.976 -6.000 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.800 -11.022 -7.313 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.877 -14.247 -5.462 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.443 -15.469 -6.147 1.00 62.21 C ATOM 1484 C GLY A 87 -5.631 -15.229 -7.430 1.00 53.52 C ATOM 1485 O GLY A 87 -5.222 -16.211 -8.051 1.00 50.23 O ATOM 0 H GLY A 87 -6.295 -14.020 -4.656 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.842 -16.062 -5.458 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.323 -16.063 -6.395 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.386 -13.968 -7.829 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.640 -13.619 -9.039 1.00 30.21 C ATOM 1491 C ASP A 88 -3.665 -12.486 -8.700 1.00 42.45 C ATOM 1492 O ASP A 88 -3.749 -11.406 -9.285 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.584 -13.291 -10.224 1.00 73.41 C ATOM 1494 CG ASP A 88 -4.872 -13.257 -11.583 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -4.557 -12.138 -12.048 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -4.677 -14.357 -12.144 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.709 -13.153 -7.307 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.059 -14.476 -9.380 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.381 -14.033 -10.259 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.056 -12.325 -10.046 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.733 -12.772 -7.766 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.572 -11.945 -7.381 1.00 54.15 C ATOM 1503 C ASN A 89 -1.877 -10.449 -7.138 1.00 13.15 C ATOM 1504 O ASN A 89 -1.054 -9.585 -7.436 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.317 -12.228 -8.266 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.583 -12.664 -9.714 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.639 -13.858 -10.000 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.774 -11.707 -10.621 1.00 72.24 N ATOM 0 H ASN A 89 -2.774 -13.638 -7.229 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.303 -12.283 -6.380 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.295 -11.326 -8.288 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.275 -13.003 -7.780 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.974 -11.955 -11.590 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.720 -10.726 -10.347 1.00 72.24 H new ATOM 1515 N LYS A 90 -3.075 -10.195 -6.590 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.639 -8.878 -6.349 1.00 43.31 C ATOM 1517 C LYS A 90 -4.089 -8.800 -4.891 1.00 61.44 C ATOM 1518 O LYS A 90 -5.071 -9.448 -4.529 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.825 -8.639 -7.307 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.431 -8.200 -8.726 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.655 -8.203 -9.660 1.00 4.11 C ATOM 1522 CE LYS A 90 -5.389 -7.642 -11.060 1.00 2.42 C ATOM 1523 NZ LYS A 90 -4.408 -8.448 -11.805 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.699 -10.945 -6.292 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.894 -8.104 -6.534 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.409 -9.557 -7.375 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.475 -7.879 -6.874 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.995 -7.202 -8.694 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.666 -8.870 -9.119 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -6.020 -9.226 -9.756 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -6.452 -7.622 -9.195 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -6.324 -7.604 -11.618 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -5.026 -6.618 -10.976 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -3.629 -7.838 -12.125 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -4.031 -9.195 -11.187 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -4.870 -8.882 -12.630 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.363 -8.002 -4.094 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.691 -7.698 -2.704 1.00 71.14 C ATOM 1539 C LEU A 91 -4.719 -6.557 -2.655 1.00 73.50 C ATOM 1540 O LEU A 91 -4.508 -5.539 -3.309 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.398 -7.318 -1.941 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.967 -8.349 -0.882 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -1.564 -9.701 -1.493 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -0.846 -7.777 -0.010 1.00 11.33 C ATOM 0 H LEU A 91 -2.510 -7.541 -4.412 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.129 -8.573 -2.224 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -1.589 -7.192 -2.660 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -2.546 -6.354 -1.455 1.00 34.10 H new ATOM 0 HG LEU A 91 -2.836 -8.548 -0.255 1.00 33.12 H new ATOM 0 HD11 LEU A 91 -1.270 -10.386 -0.698 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -2.409 -10.120 -2.039 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.727 -9.557 -2.176 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -0.551 -8.516 0.735 1.00 11.33 H new ATOM 0 HD22 LEU A 91 0.012 -7.530 -0.636 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -1.200 -6.877 0.493 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.789 -6.745 -1.871 1.00 32.00 N ATOM 1557 CA VAL A 92 -6.898 -5.798 -1.730 1.00 22.23 C ATOM 1558 C VAL A 92 -7.074 -5.445 -0.243 1.00 44.13 C ATOM 1559 O VAL A 92 -7.048 -6.344 0.596 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.231 -6.421 -2.244 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.469 -5.521 -2.038 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.133 -6.820 -3.730 1.00 33.22 C ATOM 0 H VAL A 92 -5.908 -7.584 -1.303 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.667 -4.910 -2.318 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.375 -7.310 -1.629 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.355 -6.027 -2.422 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.599 -5.319 -0.975 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.328 -4.581 -2.571 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.080 -7.251 -4.054 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -7.912 -5.937 -4.330 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.338 -7.554 -3.858 1.00 33.22 H new ATOM 1572 N THR A 93 -7.299 -4.156 0.053 1.00 63.53 N ATOM 1573 CA THR A 93 -7.614 -3.678 1.397 1.00 13.43 C ATOM 1574 C THR A 93 -8.351 -2.326 1.334 1.00 2.45 C ATOM 1575 O THR A 93 -8.098 -1.531 0.429 1.00 12.21 O ATOM 1576 CB THR A 93 -6.342 -3.583 2.291 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.697 -3.305 3.629 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.307 -2.524 1.874 1.00 32.30 C ATOM 0 H THR A 93 -7.266 -3.413 -0.645 1.00 63.53 H new ATOM 0 HA THR A 93 -8.277 -4.409 1.860 1.00 13.43 H new ATOM 0 HB THR A 93 -5.874 -4.560 2.169 1.00 65.32 H new ATOM 0 HG1 THR A 93 -5.887 -3.250 4.178 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.465 -2.546 2.565 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.954 -2.738 0.865 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.768 -1.536 1.896 1.00 32.30 H new ATOM 1586 N THR A 94 -9.269 -2.106 2.288 1.00 31.54 N ATOM 1587 CA THR A 94 -10.096 -0.904 2.408 1.00 61.25 C ATOM 1588 C THR A 94 -10.156 -0.520 3.896 1.00 52.21 C ATOM 1589 O THR A 94 -10.764 -1.234 4.695 1.00 72.24 O ATOM 1590 CB THR A 94 -11.544 -1.140 1.892 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.101 -2.336 2.411 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.654 -1.208 0.363 1.00 71.41 C ATOM 0 H THR A 94 -9.460 -2.788 3.022 1.00 31.54 H new ATOM 0 HA THR A 94 -9.653 -0.113 1.802 1.00 61.25 H new ATOM 0 HB THR A 94 -12.096 -0.269 2.245 1.00 73.32 H new ATOM 0 HG1 THR A 94 -11.841 -2.438 3.350 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.693 -1.374 0.080 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.306 -0.270 -0.069 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.041 -2.028 -0.010 1.00 71.41 H new ATOM 1600 N PHE A 95 -9.495 0.601 4.235 1.00 12.34 N ATOM 1601 CA PHE A 95 -9.350 1.091 5.608 1.00 32.24 C ATOM 1602 C PHE A 95 -10.669 1.663 6.152 1.00 42.34 C ATOM 1603 O PHE A 95 -11.163 1.173 7.166 1.00 52.11 O ATOM 1604 CB PHE A 95 -8.231 2.154 5.684 1.00 51.52 C ATOM 1605 CG PHE A 95 -6.896 1.739 5.091 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -6.018 0.900 5.808 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.584 2.073 3.758 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -4.826 0.490 5.225 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.392 1.648 3.189 1.00 31.44 C ATOM 1610 CZ PHE A 95 -4.511 0.866 3.925 1.00 4.31 C ATOM 0 H PHE A 95 -9.040 1.200 3.546 1.00 12.34 H new ATOM 0 HA PHE A 95 -9.077 0.241 6.234 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.573 3.054 5.172 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -8.077 2.421 6.730 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -6.272 0.577 6.807 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.277 2.663 3.176 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -4.139 -0.126 5.786 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.149 1.925 2.174 1.00 31.44 H new ATOM 0 HZ PHE A 95 -3.577 0.549 3.485 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.194 2.696 5.468 1.00 53.44 N ATOM 1621 CA LYS A 96 -12.389 3.443 5.863 1.00 45.34 C ATOM 1622 C LYS A 96 -13.152 3.884 4.604 1.00 4.11 C ATOM 1623 O LYS A 96 -14.297 3.477 4.412 1.00 13.52 O ATOM 1624 CB LYS A 96 -12.020 4.661 6.751 1.00 23.43 C ATOM 1625 CG LYS A 96 -11.256 4.307 8.041 1.00 21.04 C ATOM 1626 CD LYS A 96 -11.144 5.458 9.054 1.00 75.14 C ATOM 1627 CE LYS A 96 -12.452 5.717 9.816 1.00 20.32 C ATOM 1628 NZ LYS A 96 -12.263 6.720 10.877 1.00 11.43 N1+ ATOM 0 H LYS A 96 -10.782 3.039 4.600 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.032 2.796 6.459 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -11.415 5.352 6.164 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -12.935 5.188 7.020 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -11.752 3.464 8.522 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -10.252 3.976 7.774 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -10.353 5.230 9.768 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -10.849 6.367 8.531 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -13.219 6.060 9.121 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -12.811 4.785 10.253 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -13.164 6.874 11.374 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -11.549 6.381 11.552 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -11.943 7.615 10.455 1.00 11.43 H new ATOM 1642 N ASN A 97 -12.486 4.702 3.776 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.012 5.307 2.545 1.00 75.11 C ATOM 1644 C ASN A 97 -11.948 5.341 1.428 1.00 61.01 C ATOM 1645 O ASN A 97 -12.185 5.959 0.390 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.607 6.707 2.853 1.00 25.42 C ATOM 1647 CG ASN A 97 -12.620 7.689 3.500 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -12.423 7.666 4.713 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.002 8.558 2.696 1.00 5.41 N ATOM 0 H ASN A 97 -11.519 4.972 3.956 1.00 10.42 H new ATOM 0 HA ASN A 97 -13.821 4.683 2.164 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -13.978 7.142 1.925 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.465 6.586 3.514 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.342 9.232 3.084 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -12.190 8.548 1.694 1.00 5.41 H new ATOM 1656 N ILE A 98 -10.801 4.687 1.673 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.655 4.604 0.779 1.00 2.05 C ATOM 1658 C ILE A 98 -9.504 3.129 0.388 1.00 35.23 C ATOM 1659 O ILE A 98 -9.183 2.303 1.246 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.344 5.047 1.498 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.410 6.493 2.029 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.065 4.862 0.643 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.674 6.681 3.362 1.00 5.42 C ATOM 0 H ILE A 98 -10.649 4.180 2.545 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.814 5.255 -0.081 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.270 4.368 2.347 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -7.981 7.166 1.286 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.454 6.780 2.154 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.196 5.192 1.212 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -6.950 3.810 0.383 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.148 5.454 -0.269 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.758 7.720 3.681 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -8.118 6.032 4.117 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.622 6.424 3.236 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.723 2.832 -0.899 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.396 1.539 -1.493 1.00 15.10 C ATOM 1677 C LYS A 99 -7.890 1.496 -1.790 1.00 10.35 C ATOM 1678 O LYS A 99 -7.302 2.534 -2.092 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.232 1.347 -2.778 1.00 51.34 C ATOM 1680 CG LYS A 99 -10.402 -0.124 -3.206 1.00 22.43 C ATOM 1681 CD LYS A 99 -11.052 -0.263 -4.593 1.00 32.12 C ATOM 1682 CE LYS A 99 -11.532 -1.687 -4.916 1.00 42.11 C ATOM 1683 NZ LYS A 99 -12.778 -2.018 -4.200 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.136 3.491 -1.559 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.635 0.726 -0.808 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -11.218 1.786 -2.626 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -9.760 1.898 -3.591 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -9.427 -0.611 -3.215 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -11.012 -0.645 -2.469 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -11.900 0.419 -4.656 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -10.335 0.049 -5.352 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -11.693 -1.782 -5.990 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -10.756 -2.403 -4.646 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -13.071 -2.986 -4.443 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -12.617 -1.952 -3.175 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -13.526 -1.350 -4.477 1.00 33.01 H new ATOM 1697 N SER A 100 -7.309 0.297 -1.719 1.00 21.55 N ATOM 1698 CA SER A 100 -5.933 0.020 -2.107 1.00 50.10 C ATOM 1699 C SER A 100 -5.910 -1.366 -2.749 1.00 4.35 C ATOM 1700 O SER A 100 -6.287 -2.342 -2.101 1.00 70.42 O ATOM 1701 CB SER A 100 -4.998 0.139 -0.888 1.00 11.03 C ATOM 1702 OG SER A 100 -3.650 -0.108 -1.242 1.00 24.44 O ATOM 0 H SER A 100 -7.801 -0.529 -1.379 1.00 21.55 H new ATOM 0 HA SER A 100 -5.566 0.747 -2.831 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.085 1.136 -0.457 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.309 -0.568 -0.119 1.00 11.03 H new ATOM 0 HG SER A 100 -3.082 -0.023 -0.448 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.490 -1.404 -4.019 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.387 -2.605 -4.832 1.00 23.22 C ATOM 1710 C VAL A 101 -3.963 -2.648 -5.409 1.00 63.20 C ATOM 1711 O VAL A 101 -3.671 -1.983 -6.404 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.434 -2.629 -5.986 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.301 -3.867 -6.901 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -7.872 -2.552 -5.440 1.00 60.44 C ATOM 0 H VAL A 101 -5.204 -0.563 -4.521 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.592 -3.477 -4.211 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.223 -1.746 -6.589 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.058 -3.824 -7.684 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.310 -3.879 -7.355 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.441 -4.773 -6.311 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.578 -2.571 -6.270 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.059 -3.403 -4.786 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -7.998 -1.627 -4.877 1.00 60.44 H new ATOM 1724 N THR A 102 -3.099 -3.427 -4.741 1.00 1.42 N ATOM 1725 CA THR A 102 -1.774 -3.806 -5.229 1.00 32.21 C ATOM 1726 C THR A 102 -1.919 -4.934 -6.270 1.00 75.43 C ATOM 1727 O THR A 102 -2.821 -5.758 -6.143 1.00 20.23 O ATOM 1728 CB THR A 102 -0.883 -4.309 -4.061 1.00 51.52 C ATOM 1729 OG1 THR A 102 -0.701 -3.254 -3.138 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.520 -4.813 -4.453 1.00 34.32 C ATOM 0 H THR A 102 -3.312 -3.818 -3.824 1.00 1.42 H new ATOM 0 HA THR A 102 -1.306 -2.931 -5.680 1.00 32.21 H new ATOM 0 HB THR A 102 -1.419 -5.166 -3.653 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.141 -3.562 -2.395 1.00 54.43 H new ATOM 0 HG21 THR A 102 1.052 -5.139 -3.559 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.426 -5.650 -5.145 1.00 34.32 H new ATOM 0 HG23 THR A 102 1.075 -4.007 -4.933 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.033 -4.936 -7.273 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.964 -5.914 -8.350 1.00 73.42 C ATOM 1740 C GLU A 103 0.512 -6.242 -8.605 1.00 13.32 C ATOM 1741 O GLU A 103 1.236 -5.395 -9.127 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.665 -5.343 -9.605 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.502 -6.190 -10.887 1.00 32.21 C ATOM 1744 CD GLU A 103 -2.028 -5.466 -12.124 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -3.198 -5.718 -12.483 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -1.245 -4.677 -12.694 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.313 -4.218 -7.354 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.480 -6.837 -8.084 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.728 -5.236 -9.391 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.276 -4.343 -9.797 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.449 -6.432 -11.030 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -2.033 -7.134 -10.767 1.00 32.21 H new ATOM 1753 N LEU A 104 0.904 -7.482 -8.285 1.00 42.30 N ATOM 1754 CA LEU A 104 2.163 -8.090 -8.709 1.00 11.24 C ATOM 1755 C LEU A 104 1.976 -8.665 -10.121 1.00 73.12 C ATOM 1756 O LEU A 104 1.091 -9.496 -10.315 1.00 4.51 O ATOM 1757 CB LEU A 104 2.553 -9.170 -7.667 1.00 54.01 C ATOM 1758 CG LEU A 104 3.672 -10.163 -8.067 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.052 -9.492 -8.092 1.00 75.11 C ATOM 1760 CD2 LEU A 104 3.669 -11.393 -7.146 1.00 4.54 C ATOM 0 H LEU A 104 0.336 -8.103 -7.709 1.00 42.30 H new ATOM 0 HA LEU A 104 2.975 -7.364 -8.757 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.862 -8.663 -6.753 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.660 -9.746 -7.426 1.00 54.01 H new ATOM 0 HG LEU A 104 3.461 -10.498 -9.082 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.807 -10.224 -8.377 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.047 -8.676 -8.814 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.283 -9.099 -7.102 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.464 -12.075 -7.447 1.00 4.54 H new ATOM 0 HD22 LEU A 104 3.834 -11.077 -6.116 1.00 4.54 H new ATOM 0 HD23 LEU A 104 2.707 -11.901 -7.220 1.00 4.54 H new ATOM 1772 N ASN A 105 2.828 -8.237 -11.066 1.00 34.14 N ATOM 1773 CA ASN A 105 2.952 -8.767 -12.427 1.00 71.15 C ATOM 1774 C ASN A 105 4.451 -8.978 -12.667 1.00 24.52 C ATOM 1775 O ASN A 105 5.109 -8.116 -13.250 1.00 10.23 O ATOM 1776 CB ASN A 105 2.320 -7.773 -13.444 1.00 53.44 C ATOM 1777 CG ASN A 105 0.837 -7.991 -13.782 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.417 -7.680 -14.893 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.031 -8.528 -12.866 1.00 74.43 N ATOM 0 H ASN A 105 3.481 -7.473 -10.889 1.00 34.14 H new ATOM 0 HA ASN A 105 2.420 -9.709 -12.556 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.436 -6.763 -13.051 1.00 53.44 H new ATOM 0 HB3 ASN A 105 2.892 -7.822 -14.370 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.953 -8.687 -13.083 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.398 -8.780 -11.948 1.00 74.43 H new ATOM 1786 N GLY A 106 4.959 -10.131 -12.196 1.00 41.51 N ATOM 1787 CA GLY A 106 6.349 -10.557 -12.352 1.00 24.53 C ATOM 1788 C GLY A 106 7.274 -9.625 -11.564 1.00 44.41 C ATOM 1789 O GLY A 106 7.286 -9.654 -10.335 1.00 71.31 O ATOM 0 H GLY A 106 4.393 -10.806 -11.683 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.466 -11.582 -12.000 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.624 -10.549 -13.407 1.00 24.53 H new ATOM 1793 N ASP A 107 8.051 -8.818 -12.296 1.00 35.04 N ATOM 1794 CA ASP A 107 8.997 -7.830 -11.773 1.00 74.01 C ATOM 1795 C ASP A 107 8.404 -6.414 -11.630 1.00 4.24 C ATOM 1796 O ASP A 107 9.143 -5.518 -11.232 1.00 62.20 O ATOM 1797 CB ASP A 107 10.324 -7.819 -12.577 1.00 2.23 C ATOM 1798 CG ASP A 107 11.172 -9.085 -12.402 1.00 32.02 C ATOM 1799 OD1 ASP A 107 12.404 -8.915 -12.271 1.00 52.24 O ATOM 1800 OD2 ASP A 107 10.606 -10.200 -12.401 1.00 30.24 O1- ATOM 0 H ASP A 107 8.035 -8.838 -13.316 1.00 35.04 H new ATOM 0 HA ASP A 107 9.224 -8.155 -10.758 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.094 -7.692 -13.635 1.00 2.23 H new ATOM 0 HB3 ASP A 107 10.914 -6.954 -12.272 1.00 2.23 H new ATOM 1805 N ILE A 108 7.107 -6.220 -11.926 1.00 2.50 N ATOM 1806 CA ILE A 108 6.430 -4.924 -11.834 1.00 64.11 C ATOM 1807 C ILE A 108 5.365 -4.983 -10.723 1.00 2.11 C ATOM 1808 O ILE A 108 4.612 -5.955 -10.652 1.00 22.32 O ATOM 1809 CB ILE A 108 5.715 -4.553 -13.171 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.629 -4.705 -14.414 1.00 22.44 C ATOM 1811 CG2 ILE A 108 5.075 -3.144 -13.151 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.863 -3.787 -14.443 1.00 60.45 C ATOM 0 H ILE A 108 6.495 -6.973 -12.240 1.00 2.50 H new ATOM 0 HA ILE A 108 7.186 -4.170 -11.616 1.00 64.11 H new ATOM 0 HB ILE A 108 4.910 -5.283 -13.257 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.966 -5.740 -14.471 1.00 22.44 H new ATOM 0 HG13 ILE A 108 6.034 -4.513 -15.307 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.595 -2.949 -14.110 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.331 -3.093 -12.356 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.848 -2.396 -12.973 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.434 -3.973 -15.353 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.542 -2.745 -14.422 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.489 -3.991 -13.574 1.00 60.45 H new ATOM 1824 N ILE A 109 5.311 -3.922 -9.902 1.00 40.12 N ATOM 1825 CA ILE A 109 4.296 -3.710 -8.874 1.00 22.33 C ATOM 1826 C ILE A 109 3.529 -2.424 -9.213 1.00 1.23 C ATOM 1827 O ILE A 109 4.042 -1.329 -8.987 1.00 51.11 O ATOM 1828 CB ILE A 109 4.905 -3.559 -7.445 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.697 -4.805 -7.013 1.00 33.11 C ATOM 1830 CG2 ILE A 109 3.878 -3.172 -6.350 1.00 12.12 C ATOM 1831 CD1 ILE A 109 4.894 -6.110 -6.961 1.00 34.14 C ATOM 0 H ILE A 109 5.997 -3.168 -9.942 1.00 40.12 H new ATOM 0 HA ILE A 109 3.646 -4.585 -8.864 1.00 22.33 H new ATOM 0 HB ILE A 109 5.593 -2.718 -7.536 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.533 -4.940 -7.700 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.122 -4.620 -6.026 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.385 -3.088 -5.389 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.419 -2.216 -6.603 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.106 -3.939 -6.287 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.545 -6.925 -6.646 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.074 -6.005 -6.250 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.491 -6.329 -7.950 1.00 34.14 H new ATOM 1843 N THR A 110 2.298 -2.589 -9.711 1.00 33.21 N ATOM 1844 CA THR A 110 1.300 -1.523 -9.765 1.00 2.23 C ATOM 1845 C THR A 110 0.553 -1.499 -8.416 1.00 12.04 C ATOM 1846 O THR A 110 0.333 -2.556 -7.825 1.00 75.51 O ATOM 1847 CB THR A 110 0.281 -1.791 -10.905 1.00 74.14 C ATOM 1848 OG1 THR A 110 0.956 -1.692 -12.144 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.940 -0.851 -10.961 1.00 2.10 C ATOM 0 H THR A 110 1.967 -3.476 -10.091 1.00 33.21 H new ATOM 0 HA THR A 110 1.792 -0.569 -9.956 1.00 2.23 H new ATOM 0 HB THR A 110 -0.117 -2.784 -10.698 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.325 -1.861 -12.875 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.580 -1.135 -11.797 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.502 -0.929 -10.031 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.602 0.177 -11.095 1.00 2.10 H new ATOM 1857 N ASN A 111 0.177 -0.303 -7.950 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.625 -0.107 -6.746 1.00 43.31 C ATOM 1859 C ASN A 111 -1.548 1.085 -6.988 1.00 23.34 C ATOM 1860 O ASN A 111 -1.150 2.232 -6.789 1.00 30.24 O ATOM 1861 CB ASN A 111 0.285 0.011 -5.494 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.440 0.225 -4.151 1.00 11.42 C ATOM 1863 OD1 ASN A 111 0.131 0.825 -3.245 1.00 15.41 O ATOM 1864 ND2 ASN A 111 -1.677 -0.259 -3.997 1.00 44.55 N ATOM 0 H ASN A 111 0.429 0.571 -8.412 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.258 -0.969 -6.535 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.886 -0.895 -5.419 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.976 0.840 -5.648 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -2.167 -0.133 -3.112 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -2.130 -0.754 -4.765 1.00 44.55 H new ATOM 1871 N THR A 112 -2.776 0.756 -7.410 1.00 70.33 N ATOM 1872 CA THR A 112 -3.888 1.686 -7.539 1.00 53.43 C ATOM 1873 C THR A 112 -4.555 1.882 -6.168 1.00 64.33 C ATOM 1874 O THR A 112 -4.770 0.901 -5.460 1.00 23.24 O ATOM 1875 CB THR A 112 -4.962 1.133 -8.515 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.372 0.916 -9.781 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.193 2.039 -8.720 1.00 71.42 C ATOM 0 H THR A 112 -3.023 -0.197 -7.678 1.00 70.33 H new ATOM 0 HA THR A 112 -3.496 2.628 -7.921 1.00 53.43 H new ATOM 0 HB THR A 112 -5.323 0.215 -8.050 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.046 0.565 -10.400 1.00 1.20 H new ATOM 0 HG21 THR A 112 -6.882 1.564 -9.418 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.694 2.194 -7.764 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.874 3.000 -9.123 1.00 71.42 H new ATOM 1885 N MET A 113 -4.905 3.133 -5.842 1.00 51.12 N ATOM 1886 CA MET A 113 -5.763 3.479 -4.712 1.00 1.03 C ATOM 1887 C MET A 113 -6.911 4.371 -5.194 1.00 4.14 C ATOM 1888 O MET A 113 -6.772 5.048 -6.211 1.00 24.23 O ATOM 1889 CB MET A 113 -4.960 4.189 -3.602 1.00 21.14 C ATOM 1890 CG MET A 113 -3.822 3.352 -2.996 1.00 14.13 C ATOM 1891 SD MET A 113 -3.622 3.527 -1.201 1.00 42.25 S ATOM 1892 CE MET A 113 -3.351 5.310 -1.064 1.00 63.21 C ATOM 0 H MET A 113 -4.591 3.947 -6.371 1.00 51.12 H new ATOM 0 HA MET A 113 -6.172 2.560 -4.291 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.539 5.109 -4.009 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.645 4.477 -2.805 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.000 2.302 -3.227 1.00 14.13 H new ATOM 0 HG3 MET A 113 -2.886 3.631 -3.481 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.509 5.500 -0.399 1.00 63.21 H new ATOM 0 HE2 MET A 113 -3.135 5.722 -2.050 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.246 5.784 -0.661 1.00 63.21 H new ATOM 1902 N THR A 114 -8.023 4.364 -4.440 1.00 31.21 N ATOM 1903 CA THR A 114 -9.185 5.206 -4.713 1.00 32.02 C ATOM 1904 C THR A 114 -9.767 5.744 -3.395 1.00 0.44 C ATOM 1905 O THR A 114 -10.472 5.013 -2.700 1.00 11.44 O ATOM 1906 CB THR A 114 -10.294 4.465 -5.516 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.771 4.013 -6.750 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.535 5.321 -5.836 1.00 33.33 C ATOM 0 H THR A 114 -8.135 3.768 -3.620 1.00 31.21 H new ATOM 0 HA THR A 114 -8.838 6.032 -5.334 1.00 32.02 H new ATOM 0 HB THR A 114 -10.612 3.648 -4.868 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.472 3.546 -7.251 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.254 4.724 -6.397 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.992 5.661 -4.907 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.238 6.184 -6.431 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.463 7.019 -3.090 1.00 10.34 N ATOM 1917 CA LEU A 115 -10.048 7.773 -1.981 1.00 5.52 C ATOM 1918 C LEU A 115 -11.146 8.673 -2.552 1.00 24.12 C ATOM 1919 O LEU A 115 -10.803 9.656 -3.203 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.941 8.597 -1.270 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.356 9.334 0.038 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -8.111 9.833 0.797 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -10.351 10.502 -0.134 1.00 4.21 C ATOM 0 H LEU A 115 -8.786 7.562 -3.626 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.485 7.106 -1.237 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.114 7.927 -1.036 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.562 9.338 -1.974 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.892 8.577 0.610 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -8.421 10.345 1.708 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -7.478 8.984 1.056 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -7.552 10.523 0.165 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -10.569 10.941 0.840 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -9.914 11.260 -0.784 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -11.274 10.131 -0.579 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.416 8.362 -2.241 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.582 9.221 -2.486 1.00 30.35 C ATOM 1937 C GLY A 116 -13.814 9.505 -3.979 1.00 51.00 C ATOM 1938 O GLY A 116 -14.557 8.775 -4.633 1.00 22.24 O ATOM 0 H GLY A 116 -12.665 7.477 -1.798 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.470 8.746 -2.070 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.448 10.165 -1.958 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.195 10.587 -4.480 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.268 11.070 -5.862 1.00 14.31 C ATOM 1944 C ASP A 117 -11.840 11.378 -6.389 1.00 43.04 C ATOM 1945 O ASP A 117 -11.640 12.342 -7.127 1.00 1.34 O ATOM 1946 CB ASP A 117 -14.241 12.277 -5.943 1.00 3.04 C ATOM 1947 CG ASP A 117 -14.690 12.686 -7.352 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -14.526 11.877 -8.291 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -15.256 13.797 -7.449 1.00 23.23 O1- ATOM 0 H ASP A 117 -12.600 11.177 -3.898 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.676 10.301 -6.518 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -15.128 12.043 -5.354 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -13.763 13.136 -5.472 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.863 10.552 -5.989 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.460 10.619 -6.399 1.00 44.24 C ATOM 1956 C ILE A 118 -9.029 9.189 -6.758 1.00 5.21 C ATOM 1957 O ILE A 118 -9.376 8.271 -6.017 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.530 11.092 -5.236 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -8.978 12.409 -4.556 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.049 11.184 -5.654 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.825 13.669 -5.419 1.00 24.45 C ATOM 0 H ILE A 118 -11.041 9.785 -5.341 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.373 11.324 -7.226 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.629 10.304 -4.489 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -10.024 12.312 -4.264 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -8.402 12.542 -3.640 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.452 11.517 -4.806 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.701 10.204 -5.980 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.946 11.896 -6.473 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -9.164 14.539 -4.856 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -7.777 13.799 -5.691 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -9.424 13.565 -6.324 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.269 9.025 -7.855 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.756 7.726 -8.301 1.00 54.42 C ATOM 1975 C VAL A 119 -6.234 7.836 -8.514 1.00 43.45 C ATOM 1976 O VAL A 119 -5.778 8.178 -9.604 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.449 7.228 -9.605 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.902 5.874 -10.110 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.973 7.111 -9.427 1.00 54.54 C ATOM 0 H VAL A 119 -7.994 9.799 -8.459 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.979 6.991 -7.528 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.219 7.986 -10.354 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.428 5.586 -11.020 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.837 5.968 -10.320 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.055 5.112 -9.346 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.422 6.761 -10.357 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.193 6.402 -8.629 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.385 8.087 -9.170 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.483 7.549 -7.442 1.00 2.03 N ATOM 1990 CA PHE A 120 -4.023 7.467 -7.437 1.00 51.53 C ATOM 1991 C PHE A 120 -3.534 6.131 -8.020 1.00 21.53 C ATOM 1992 O PHE A 120 -4.155 5.106 -7.751 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.546 7.671 -5.983 1.00 62.43 C ATOM 1994 CG PHE A 120 -2.054 7.534 -5.733 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.534 6.428 -5.024 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.165 8.474 -6.288 1.00 1.44 C ATOM 1997 CE1 PHE A 120 -0.162 6.313 -4.834 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.201 8.325 -6.108 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.700 7.265 -5.363 1.00 63.23 C ATOM 0 H PHE A 120 -5.892 7.362 -6.527 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.600 8.243 -8.075 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.856 8.664 -5.658 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -4.065 6.952 -5.350 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -2.200 5.674 -4.631 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.547 9.311 -6.854 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.235 5.480 -4.273 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.882 9.038 -6.550 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.763 7.180 -5.194 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.408 6.158 -8.749 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.629 4.969 -9.105 1.00 24.41 C ATOM 2011 C LYS A 121 -0.142 5.234 -8.850 1.00 1.12 C ATOM 2012 O LYS A 121 0.311 6.376 -8.919 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.872 4.527 -10.569 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.249 3.883 -10.823 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.126 4.611 -11.858 1.00 1.43 C ATOM 2016 CE LYS A 121 -4.146 3.936 -13.239 1.00 11.33 C ATOM 2017 NZ LYS A 121 -2.806 3.852 -13.845 1.00 31.52 N1+ ATOM 0 H LYS A 121 -2.009 7.023 -9.113 1.00 14.14 H new ATOM 0 HA LYS A 121 -1.962 4.145 -8.473 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.766 5.395 -11.220 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.095 3.818 -10.855 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.097 2.856 -11.155 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.791 3.836 -9.879 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -5.146 4.671 -11.478 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.767 5.634 -11.969 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -4.562 2.933 -13.144 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -4.807 4.493 -13.903 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -2.825 3.179 -14.637 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -2.524 4.790 -14.194 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -2.122 3.528 -13.132 1.00 31.52 H new ATOM 2031 N ARG A 122 0.587 4.146 -8.579 1.00 54.11 N ATOM 2032 CA ARG A 122 2.025 4.133 -8.356 1.00 51.51 C ATOM 2033 C ARG A 122 2.576 2.820 -8.908 1.00 51.43 C ATOM 2034 O ARG A 122 2.089 1.753 -8.541 1.00 64.24 O ATOM 2035 CB ARG A 122 2.313 4.365 -6.861 1.00 71.25 C ATOM 2036 CG ARG A 122 3.731 4.018 -6.387 1.00 23.43 C ATOM 2037 CD ARG A 122 3.985 4.503 -4.956 1.00 72.20 C ATOM 2038 NE ARG A 122 5.117 3.795 -4.350 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.030 2.574 -3.798 1.00 52.00 C ATOM 2040 NH1 ARG A 122 3.860 1.923 -3.706 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.136 1.989 -3.330 1.00 41.43 N ATOM 0 H ARG A 122 0.169 3.218 -8.508 1.00 54.11 H new ATOM 0 HA ARG A 122 2.533 4.941 -8.882 1.00 51.51 H new ATOM 0 HB2 ARG A 122 2.122 5.414 -6.633 1.00 71.25 H new ATOM 0 HB3 ARG A 122 1.603 3.777 -6.279 1.00 71.25 H new ATOM 0 HG2 ARG A 122 3.877 2.939 -6.437 1.00 23.43 H new ATOM 0 HG3 ARG A 122 4.460 4.470 -7.059 1.00 23.43 H new ATOM 0 HD2 ARG A 122 4.184 5.575 -4.962 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.091 4.348 -4.353 1.00 72.20 H new ATOM 0 HE ARG A 122 6.026 4.258 -4.348 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.007 2.355 -4.061 1.00 71.04 H new ATOM 0 HH12 ARG A 122 3.824 0.996 -3.282 1.00 71.04 H new ATOM 0 HH21 ARG A 122 7.033 2.470 -3.394 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.083 1.062 -2.908 1.00 41.43 H new ATOM 2055 N ILE A 123 3.581 2.945 -9.782 1.00 23.42 N ATOM 2056 CA ILE A 123 4.211 1.842 -10.492 1.00 74.43 C ATOM 2057 C ILE A 123 5.674 1.776 -10.032 1.00 3.34 C ATOM 2058 O ILE A 123 6.375 2.787 -10.060 1.00 11.31 O ATOM 2059 CB ILE A 123 4.174 2.048 -12.038 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.732 2.293 -12.555 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.785 0.841 -12.784 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.261 3.759 -12.480 1.00 23.05 C ATOM 0 H ILE A 123 3.987 3.850 -10.018 1.00 23.42 H new ATOM 0 HA ILE A 123 3.671 0.921 -10.271 1.00 74.43 H new ATOM 0 HB ILE A 123 4.773 2.935 -12.243 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.670 1.958 -13.591 1.00 33.41 H new ATOM 0 HG13 ILE A 123 2.044 1.675 -11.979 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.743 1.018 -13.859 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.823 0.712 -12.478 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.221 -0.060 -12.542 1.00 70.43 H new ATOM 0 HD11 ILE A 123 1.243 3.834 -12.862 1.00 23.05 H new ATOM 0 HD12 ILE A 123 2.285 4.096 -11.444 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.921 4.384 -13.081 1.00 23.05 H new ATOM 2074 N SER A 124 6.090 0.575 -9.614 1.00 71.20 N ATOM 2075 CA SER A 124 7.433 0.245 -9.146 1.00 14.32 C ATOM 2076 C SER A 124 7.944 -0.980 -9.926 1.00 44.33 C ATOM 2077 O SER A 124 7.137 -1.737 -10.465 1.00 2.24 O ATOM 2078 CB SER A 124 7.360 -0.036 -7.629 1.00 41.23 C ATOM 2079 OG SER A 124 7.100 1.154 -6.913 1.00 61.04 O ATOM 0 H SER A 124 5.465 -0.231 -9.594 1.00 71.20 H new ATOM 0 HA SER A 124 8.128 1.067 -9.316 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.577 -0.767 -7.427 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.299 -0.473 -7.289 1.00 41.23 H new ATOM 0 HG SER A 124 7.056 0.956 -5.954 1.00 61.04 H new ATOM 2085 N LYS A 125 9.275 -1.151 -9.982 1.00 51.44 N ATOM 2086 CA LYS A 125 9.940 -2.205 -10.753 1.00 72.03 C ATOM 2087 C LYS A 125 11.151 -2.756 -9.993 1.00 64.24 C ATOM 2088 O LYS A 125 11.861 -1.985 -9.353 1.00 21.30 O ATOM 2089 CB LYS A 125 10.317 -1.642 -12.140 1.00 73.22 C ATOM 2090 CG LYS A 125 11.120 -2.590 -13.048 1.00 42.33 C ATOM 2091 CD LYS A 125 11.340 -1.995 -14.448 1.00 22.14 C ATOM 2092 CE LYS A 125 12.191 -2.885 -15.367 1.00 53.41 C ATOM 2093 NZ LYS A 125 13.581 -3.000 -14.887 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.928 -0.547 -9.482 1.00 51.44 H new ATOM 0 HA LYS A 125 9.264 -3.048 -10.897 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.401 -1.361 -12.659 1.00 73.22 H new ATOM 0 HB3 LYS A 125 10.895 -0.729 -11.997 1.00 73.22 H new ATOM 0 HG2 LYS A 125 12.085 -2.802 -12.588 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.594 -3.540 -13.136 1.00 42.33 H new ATOM 0 HD2 LYS A 125 10.371 -1.824 -14.917 1.00 22.14 H new ATOM 0 HD3 LYS A 125 11.823 -1.023 -14.349 1.00 22.14 H new ATOM 0 HE2 LYS A 125 11.744 -3.877 -15.427 1.00 53.41 H new ATOM 0 HE3 LYS A 125 12.188 -2.473 -16.376 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 14.143 -3.537 -15.577 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.989 -2.050 -14.773 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 13.592 -3.494 -13.972 1.00 45.34 H new ATOM 2107 N ARG A 126 11.377 -4.077 -10.112 1.00 3.51 N ATOM 2108 CA ARG A 126 12.413 -4.869 -9.438 1.00 31.02 C ATOM 2109 C ARG A 126 13.829 -4.281 -9.583 1.00 63.35 C ATOM 2110 O ARG A 126 14.177 -3.791 -10.659 1.00 31.35 O ATOM 2111 CB ARG A 126 12.366 -6.311 -9.983 1.00 1.25 C ATOM 2112 CG ARG A 126 13.165 -7.353 -9.167 1.00 25.20 C ATOM 2113 CD ARG A 126 12.295 -8.268 -8.290 1.00 61.54 C ATOM 2114 NE ARG A 126 11.574 -9.248 -9.116 1.00 13.10 N ATOM 2115 CZ ARG A 126 10.619 -10.100 -8.708 1.00 1.14 C ATOM 2116 NH1 ARG A 126 10.211 -10.137 -7.433 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 10.068 -10.929 -9.603 1.00 75.52 N ATOM 0 H ARG A 126 10.800 -4.655 -10.723 1.00 3.51 H new ATOM 0 HA ARG A 126 12.197 -4.853 -8.370 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.325 -6.631 -10.029 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.744 -6.308 -11.005 1.00 1.25 H new ATOM 0 HG2 ARG A 126 13.744 -7.970 -9.854 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.879 -6.830 -8.531 1.00 25.20 H new ATOM 0 HD2 ARG A 126 12.921 -8.787 -7.564 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.583 -7.668 -7.724 1.00 61.54 H new ATOM 0 HE ARG A 126 11.826 -9.285 -10.104 1.00 13.10 H new ATOM 0 HH11 ARG A 126 10.627 -9.509 -6.746 1.00 52.44 H new ATOM 0 HH12 ARG A 126 9.484 -10.794 -7.149 1.00 52.44 H new ATOM 0 HH21 ARG A 126 10.375 -10.906 -10.576 1.00 75.52 H new ATOM 0 HH22 ARG A 126 9.341 -11.583 -9.312 1.00 75.52 H new ATOM 2131 N ILE A 127 14.615 -4.358 -8.496 1.00 3.34 N ATOM 2132 CA ILE A 127 15.996 -3.850 -8.410 1.00 44.01 C ATOM 2133 C ILE A 127 16.952 -5.009 -8.683 1.00 43.14 C ATOM 2134 O ILE A 127 16.611 -6.162 -8.955 1.00 12.22 O ATOM 2135 CB ILE A 127 16.298 -3.143 -7.047 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.139 -2.231 -6.584 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.619 -2.338 -7.109 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.354 -1.536 -5.233 1.00 14.32 C ATOM 0 H ILE A 127 14.298 -4.788 -7.627 1.00 3.34 H new ATOM 0 HA ILE A 127 16.136 -3.075 -9.164 1.00 44.01 H new ATOM 0 HB ILE A 127 16.406 -3.938 -6.309 1.00 74.44 H new ATOM 0 HG12 ILE A 127 14.972 -1.468 -7.344 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.229 -2.828 -6.527 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.799 -1.859 -6.146 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.445 -3.011 -7.340 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.545 -1.576 -7.885 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.486 -0.920 -4.998 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.487 -2.287 -4.455 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.242 -0.906 -5.285 1.00 14.32 H new TER 2150 ILE A 127