USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= -0.935 K(o=-2.8,f=-4!) USER MOD Set 1.2: A 73 THR OG1 : rot 114:sc= 0.374 USER MOD Set 1.3: A 75 CYS SG : rot 0:sc= -2.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 160:sc= -0.213 (180deg=-0.785) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.61) USER MOD Single : A 17 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 71:sc= 0.00541 USER MOD Single : A 33 ASN : amide:sc= -0.704 K(o=-0.7,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-3.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 176:sc= -1.1 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -25:sc= 0.0735 USER MOD Single : A 44 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.77) USER MOD Single : A 46 GLN : amide:sc= -0.662 K(o=-0.66,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0.419 (180deg=0.392) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.057) USER MOD Single : A 56 MET CE :methyl -179:sc= -3.2 (180deg=-3.26) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.3) USER MOD Single : A 67 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.14) USER MOD Single : A 70 GLN : amide:sc= -1.64! C(o=-1.6!,f=-3!) USER MOD Single : A 72 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.6!) USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= -0.765 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -16.363 5.454 -30.869 1.00 72.44 N ATOM 2 CA PRO A 1 -15.526 4.738 -29.885 1.00 63.23 C ATOM 3 C PRO A 1 -14.970 3.453 -30.487 1.00 50.34 C ATOM 4 O PRO A 1 -15.632 2.803 -31.299 1.00 54.34 O ATOM 5 CB PRO A 1 -16.365 4.424 -28.656 1.00 35.02 C ATOM 6 CG PRO A 1 -17.740 4.843 -29.045 1.00 24.21 C ATOM 7 CD PRO A 1 -17.581 5.866 -30.147 1.00 63.42 C ATOM 0 H2 PRO A 1 -16.594 4.851 -31.659 1.00 72.44 H new ATOM 0 H3 PRO A 1 -15.871 6.264 -31.246 1.00 72.44 H new ATOM 0 HA PRO A 1 -14.684 5.369 -29.602 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -16.326 3.364 -28.406 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -16.013 4.971 -27.781 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -18.323 3.989 -29.390 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -18.271 5.269 -28.194 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -18.448 5.875 -30.807 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -17.479 6.872 -29.741 1.00 63.42 H new ATOM 17 N GLY A 2 -13.760 3.090 -30.088 1.00 35.53 N ATOM 18 CA GLY A 2 -13.119 1.910 -30.637 1.00 24.52 C ATOM 19 C GLY A 2 -13.245 0.706 -29.726 1.00 1.40 C ATOM 20 O GLY A 2 -14.273 0.525 -29.064 1.00 22.44 O ATOM 0 H GLY A 2 -13.208 3.592 -29.392 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -13.562 1.677 -31.605 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -12.064 2.121 -30.811 1.00 24.52 H new ATOM 24 N SER A 3 -12.207 -0.121 -29.690 1.00 10.13 N ATOM 25 CA SER A 3 -12.202 -1.309 -28.850 1.00 12.40 C ATOM 26 C SER A 3 -11.924 -0.931 -27.397 1.00 50.22 C ATOM 27 O SER A 3 -10.770 -0.826 -26.975 1.00 24.11 O ATOM 28 CB SER A 3 -11.154 -2.303 -29.355 1.00 44.31 C ATOM 29 OG SER A 3 -11.271 -2.493 -30.756 1.00 54.01 O ATOM 0 H SER A 3 -11.355 0.012 -30.236 1.00 10.13 H new ATOM 0 HA SER A 3 -13.184 -1.780 -28.900 1.00 12.40 H new ATOM 0 HB2 SER A 3 -10.155 -1.938 -29.116 1.00 44.31 H new ATOM 0 HB3 SER A 3 -11.276 -3.258 -28.843 1.00 44.31 H new ATOM 0 HG SER A 3 -10.591 -3.131 -31.058 1.00 54.01 H new ATOM 35 N MET A 4 -12.988 -0.698 -26.646 1.00 64.30 N ATOM 36 CA MET A 4 -12.867 -0.318 -25.248 1.00 73.21 C ATOM 37 C MET A 4 -12.981 -1.542 -24.349 1.00 42.35 C ATOM 38 O MET A 4 -13.814 -2.417 -24.578 1.00 54.24 O ATOM 39 CB MET A 4 -13.943 0.707 -24.874 1.00 72.52 C ATOM 40 CG MET A 4 -13.854 2.000 -25.667 1.00 21.33 C ATOM 41 SD MET A 4 -15.082 3.221 -25.150 1.00 14.12 S ATOM 42 CE MET A 4 -14.595 3.498 -23.446 1.00 12.30 C ATOM 0 H MET A 4 -13.948 -0.766 -26.983 1.00 64.30 H new ATOM 0 HA MET A 4 -11.886 0.134 -25.103 1.00 73.21 H new ATOM 0 HB2 MET A 4 -14.926 0.262 -25.029 1.00 72.52 H new ATOM 0 HB3 MET A 4 -13.861 0.936 -23.811 1.00 72.52 H new ATOM 0 HG2 MET A 4 -12.856 2.423 -25.553 1.00 21.33 H new ATOM 0 HG3 MET A 4 -13.988 1.782 -26.726 1.00 21.33 H new ATOM 0 HE1 MET A 4 -15.002 4.449 -23.101 1.00 12.30 H new ATOM 0 HE2 MET A 4 -14.979 2.691 -22.822 1.00 12.30 H new ATOM 0 HE3 MET A 4 -13.507 3.523 -23.378 1.00 12.30 H new ATOM 52 N THR A 5 -12.129 -1.604 -23.341 1.00 5.32 N ATOM 53 CA THR A 5 -12.158 -2.694 -22.382 1.00 22.53 C ATOM 54 C THR A 5 -13.183 -2.419 -21.287 1.00 65.22 C ATOM 55 O THR A 5 -13.489 -1.261 -20.991 1.00 62.04 O ATOM 56 CB THR A 5 -10.766 -2.924 -21.760 1.00 42.10 C ATOM 57 OG1 THR A 5 -10.151 -1.667 -21.440 1.00 71.41 O ATOM 58 CG2 THR A 5 -9.870 -3.706 -22.711 1.00 53.01 C ATOM 0 H THR A 5 -11.405 -0.908 -23.165 1.00 5.32 H new ATOM 0 HA THR A 5 -12.448 -3.599 -22.916 1.00 22.53 H new ATOM 0 HB THR A 5 -10.895 -3.504 -20.846 1.00 42.10 H new ATOM 0 HG1 THR A 5 -9.269 -1.826 -21.044 1.00 71.41 H new ATOM 0 HG21 THR A 5 -8.894 -3.856 -22.250 1.00 53.01 H new ATOM 0 HG22 THR A 5 -10.323 -4.674 -22.924 1.00 53.01 H new ATOM 0 HG23 THR A 5 -9.751 -3.148 -23.640 1.00 53.01 H new ATOM 66 N VAL A 6 -13.722 -3.480 -20.701 1.00 4.20 N ATOM 67 CA VAL A 6 -14.762 -3.346 -19.688 1.00 13.52 C ATOM 68 C VAL A 6 -14.166 -3.327 -18.284 1.00 40.55 C ATOM 69 O VAL A 6 -13.109 -3.911 -18.031 1.00 4.41 O ATOM 70 CB VAL A 6 -15.811 -4.476 -19.792 1.00 75.41 C ATOM 71 CG1 VAL A 6 -16.553 -4.389 -21.115 1.00 44.14 C ATOM 72 CG2 VAL A 6 -15.156 -5.840 -19.633 1.00 12.15 C ATOM 0 H VAL A 6 -13.457 -4.443 -20.909 1.00 4.20 H new ATOM 0 HA VAL A 6 -15.261 -2.395 -19.874 1.00 13.52 H new ATOM 0 HB VAL A 6 -16.530 -4.351 -18.983 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -17.288 -5.192 -21.173 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -17.060 -3.427 -21.185 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -15.844 -4.486 -21.937 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -15.914 -6.619 -19.710 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -14.412 -5.980 -20.417 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -14.672 -5.900 -18.658 1.00 12.15 H new ATOM 82 N THR A 7 -14.850 -2.644 -17.381 1.00 31.41 N ATOM 83 CA THR A 7 -14.403 -2.521 -16.006 1.00 35.31 C ATOM 84 C THR A 7 -15.093 -3.551 -15.122 1.00 31.42 C ATOM 85 O THR A 7 -16.077 -4.173 -15.529 1.00 72.04 O ATOM 86 CB THR A 7 -14.695 -1.111 -15.461 1.00 54.51 C ATOM 87 OG1 THR A 7 -16.094 -0.816 -15.608 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.870 -0.065 -16.195 1.00 10.33 C ATOM 0 H THR A 7 -15.726 -2.162 -17.580 1.00 31.41 H new ATOM 0 HA THR A 7 -13.327 -2.696 -15.991 1.00 35.31 H new ATOM 0 HB THR A 7 -14.424 -1.085 -14.406 1.00 54.51 H new ATOM 0 HG1 THR A 7 -16.278 0.081 -15.259 1.00 5.41 H new ATOM 0 HG21 THR A 7 -14.094 0.923 -15.792 1.00 10.33 H new ATOM 0 HG22 THR A 7 -12.810 -0.279 -16.062 1.00 10.33 H new ATOM 0 HG23 THR A 7 -14.115 -0.088 -17.257 1.00 10.33 H new ATOM 96 N GLN A 8 -14.586 -3.718 -13.906 1.00 3.23 N ATOM 97 CA GLN A 8 -15.184 -4.651 -12.960 1.00 50.02 C ATOM 98 C GLN A 8 -16.513 -4.107 -12.443 1.00 1.14 C ATOM 99 O GLN A 8 -17.337 -4.853 -11.913 1.00 72.35 O ATOM 100 CB GLN A 8 -14.231 -4.938 -11.793 1.00 43.14 C ATOM 101 CG GLN A 8 -13.870 -3.710 -10.971 1.00 33.25 C ATOM 102 CD GLN A 8 -12.923 -4.031 -9.830 1.00 53.30 C ATOM 103 OE1 GLN A 8 -13.355 -4.356 -8.727 1.00 54.41 O ATOM 104 NE2 GLN A 8 -11.626 -3.933 -10.084 1.00 54.35 N ATOM 0 H GLN A 8 -13.767 -3.222 -13.554 1.00 3.23 H new ATOM 0 HA GLN A 8 -15.371 -5.589 -13.482 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.689 -5.679 -11.138 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -13.316 -5.381 -12.186 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.411 -2.964 -11.620 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.780 -3.266 -10.569 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -11.308 -3.660 -11.014 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -10.946 -4.131 -9.350 1.00 54.35 H new ATOM 113 N SER A 9 -16.717 -2.802 -12.615 1.00 52.14 N ATOM 114 CA SER A 9 -17.964 -2.156 -12.221 1.00 2.52 C ATOM 115 C SER A 9 -19.141 -2.744 -12.995 1.00 0.31 C ATOM 116 O SER A 9 -20.225 -2.939 -12.447 1.00 54.11 O ATOM 117 CB SER A 9 -17.874 -0.652 -12.477 1.00 33.54 C ATOM 118 OG SER A 9 -16.747 -0.092 -11.823 1.00 75.12 O ATOM 0 H SER A 9 -16.030 -2.170 -13.027 1.00 52.14 H new ATOM 0 HA SER A 9 -18.125 -2.332 -11.157 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.807 -0.465 -13.549 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.783 -0.164 -12.125 1.00 33.54 H new ATOM 0 HG SER A 9 -16.709 0.871 -12.003 1.00 75.12 H new ATOM 124 N GLN A 10 -18.906 -3.038 -14.269 1.00 65.43 N ATOM 125 CA GLN A 10 -19.921 -3.632 -15.128 1.00 50.30 C ATOM 126 C GLN A 10 -20.325 -5.000 -14.590 1.00 24.22 C ATOM 127 O GLN A 10 -21.509 -5.338 -14.532 1.00 13.03 O ATOM 128 CB GLN A 10 -19.378 -3.769 -16.553 1.00 3.51 C ATOM 129 CG GLN A 10 -20.421 -4.166 -17.584 1.00 31.21 C ATOM 130 CD GLN A 10 -21.446 -3.078 -17.821 1.00 30.13 C ATOM 131 OE1 GLN A 10 -22.488 -3.033 -17.171 1.00 43.14 O ATOM 132 NE2 GLN A 10 -21.148 -2.182 -18.747 1.00 21.05 N ATOM 0 H GLN A 10 -18.012 -2.872 -14.732 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.799 -2.986 -15.141 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -18.931 -2.821 -16.852 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -18.580 -4.512 -16.556 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.925 -4.404 -18.525 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -20.928 -5.072 -17.253 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -20.272 -2.255 -19.264 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -21.794 -1.418 -18.944 1.00 21.05 H new ATOM 141 N LEU A 11 -19.324 -5.771 -14.181 1.00 1.21 N ATOM 142 CA LEU A 11 -19.551 -7.104 -13.645 1.00 12.41 C ATOM 143 C LEU A 11 -20.329 -7.030 -12.336 1.00 54.11 C ATOM 144 O LEU A 11 -21.300 -7.764 -12.144 1.00 71.13 O ATOM 145 CB LEU A 11 -18.216 -7.822 -13.427 1.00 53.43 C ATOM 146 CG LEU A 11 -18.324 -9.261 -12.918 1.00 4.24 C ATOM 147 CD1 LEU A 11 -19.057 -10.137 -13.923 1.00 55.21 C ATOM 148 CD2 LEU A 11 -16.941 -9.821 -12.628 1.00 61.15 C ATOM 0 H LEU A 11 -18.343 -5.492 -14.212 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.141 -7.670 -14.366 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -17.667 -7.827 -14.369 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -17.624 -7.246 -12.716 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.899 -9.257 -11.992 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -19.121 -11.155 -13.539 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -20.062 -9.745 -14.083 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -18.514 -10.139 -14.868 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -17.032 -10.845 -12.267 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -16.345 -9.810 -13.541 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -16.453 -9.210 -11.869 1.00 61.15 H new ATOM 160 N GLU A 12 -19.904 -6.139 -11.441 1.00 14.13 N ATOM 161 CA GLU A 12 -20.594 -5.953 -10.168 1.00 13.33 C ATOM 162 C GLU A 12 -22.051 -5.579 -10.387 1.00 23.45 C ATOM 163 O GLU A 12 -22.947 -6.205 -9.828 1.00 35.24 O ATOM 164 CB GLU A 12 -19.920 -4.885 -9.305 1.00 72.23 C ATOM 165 CG GLU A 12 -18.584 -5.317 -8.723 1.00 2.41 C ATOM 166 CD GLU A 12 -18.148 -4.434 -7.572 1.00 74.31 C ATOM 167 OE1 GLU A 12 -17.519 -3.382 -7.820 1.00 23.41 O ATOM 168 OE2 GLU A 12 -18.451 -4.782 -6.409 1.00 33.12 O ATOM 0 H GLU A 12 -19.090 -5.539 -11.574 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.541 -6.906 -9.641 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.771 -3.988 -9.905 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -20.590 -4.615 -8.489 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.656 -6.349 -8.380 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.825 -5.293 -9.505 1.00 2.41 H new ATOM 175 N LEU A 13 -22.284 -4.568 -11.216 1.00 24.43 N ATOM 176 CA LEU A 13 -23.638 -4.120 -11.512 1.00 1.43 C ATOM 177 C LEU A 13 -24.486 -5.268 -12.048 1.00 31.21 C ATOM 178 O LEU A 13 -25.585 -5.507 -11.557 1.00 4.34 O ATOM 179 CB LEU A 13 -23.609 -2.934 -12.491 1.00 73.45 C ATOM 180 CG LEU A 13 -24.904 -2.653 -13.259 1.00 63.21 C ATOM 181 CD1 LEU A 13 -25.172 -1.155 -13.318 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.819 -3.221 -14.670 1.00 50.21 C ATOM 0 H LEU A 13 -21.552 -4.043 -11.695 1.00 24.43 H new ATOM 0 HA LEU A 13 -24.101 -3.778 -10.586 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -23.341 -2.037 -11.933 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.813 -3.108 -13.215 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.727 -3.138 -12.733 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -26.096 -0.972 -13.867 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -25.268 -0.762 -12.306 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -24.345 -0.657 -13.824 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.747 -3.013 -15.202 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.986 -2.758 -15.199 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.663 -4.299 -14.620 1.00 50.21 H new ATOM 194 N LEU A 14 -23.950 -6.001 -13.014 1.00 72.01 N ATOM 195 CA LEU A 14 -24.669 -7.109 -13.639 1.00 3.52 C ATOM 196 C LEU A 14 -25.157 -8.110 -12.591 1.00 71.02 C ATOM 197 O LEU A 14 -26.342 -8.461 -12.549 1.00 70.32 O ATOM 198 CB LEU A 14 -23.764 -7.813 -14.651 1.00 33.20 C ATOM 199 CG LEU A 14 -24.429 -8.930 -15.462 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.507 -8.357 -16.369 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.390 -9.691 -16.274 1.00 11.21 C ATOM 0 H LEU A 14 -23.013 -5.849 -13.386 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.540 -6.703 -14.153 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.373 -7.068 -15.344 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -22.910 -8.232 -14.119 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.899 -9.629 -14.770 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -25.970 -9.163 -16.938 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -26.265 -7.859 -15.764 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.060 -7.638 -17.056 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -23.880 -10.480 -16.844 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -22.890 -9.006 -16.959 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -22.654 -10.132 -15.601 1.00 11.21 H new ATOM 213 N ILE A 15 -24.241 -8.542 -11.735 1.00 13.25 N ATOM 214 CA ILE A 15 -24.553 -9.527 -10.705 1.00 24.23 C ATOM 215 C ILE A 15 -25.498 -8.936 -9.659 1.00 61.32 C ATOM 216 O ILE A 15 -26.432 -9.598 -9.205 1.00 75.31 O ATOM 217 CB ILE A 15 -23.269 -10.034 -10.009 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.281 -10.603 -11.037 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.597 -11.080 -8.951 1.00 52.02 C ATOM 220 CD1 ILE A 15 -22.825 -11.763 -11.845 1.00 63.52 C ATOM 0 H ILE A 15 -23.272 -8.225 -11.733 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.042 -10.368 -11.196 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.800 -9.184 -9.513 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -21.985 -9.806 -11.720 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.380 -10.928 -10.517 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.676 -11.420 -8.477 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.253 -10.643 -8.198 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.097 -11.927 -9.420 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -22.065 -12.106 -12.547 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -23.094 -12.579 -11.174 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -23.708 -11.440 -12.396 1.00 63.52 H new ATOM 232 N ARG A 16 -25.266 -7.678 -9.307 1.00 32.24 N ATOM 233 CA ARG A 16 -26.036 -7.013 -8.263 1.00 15.30 C ATOM 234 C ARG A 16 -27.453 -6.691 -8.740 1.00 74.23 C ATOM 235 O ARG A 16 -28.364 -6.524 -7.928 1.00 15.23 O ATOM 236 CB ARG A 16 -25.319 -5.732 -7.825 1.00 23.14 C ATOM 237 CG ARG A 16 -25.851 -5.119 -6.537 1.00 71.35 C ATOM 238 CD ARG A 16 -25.626 -6.035 -5.342 1.00 63.11 C ATOM 239 NE ARG A 16 -25.807 -5.325 -4.073 1.00 73.55 N ATOM 240 CZ ARG A 16 -25.641 -5.876 -2.869 1.00 72.42 C ATOM 241 NH1 ARG A 16 -25.349 -7.162 -2.747 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.775 -5.131 -1.780 1.00 75.13 N ATOM 0 H ARG A 16 -24.546 -7.094 -9.732 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.116 -7.690 -7.412 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.259 -5.950 -7.698 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.399 -4.995 -8.624 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -25.360 -4.162 -6.360 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.916 -4.915 -6.644 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -26.319 -6.874 -5.391 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.619 -6.450 -5.386 1.00 63.11 H new ATOM 0 HE ARG A 16 -26.078 -4.343 -4.113 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.248 -7.743 -3.579 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -25.225 -7.571 -1.821 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -26.004 -4.141 -1.865 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -25.649 -5.548 -0.858 1.00 75.13 H new ATOM 256 N ASN A 17 -27.633 -6.577 -10.054 1.00 21.01 N ATOM 257 CA ASN A 17 -28.966 -6.375 -10.617 1.00 71.44 C ATOM 258 C ASN A 17 -29.689 -7.708 -10.721 1.00 24.13 C ATOM 259 O ASN A 17 -30.865 -7.817 -10.374 1.00 64.41 O ATOM 260 CB ASN A 17 -28.916 -5.731 -12.010 1.00 22.11 C ATOM 261 CG ASN A 17 -28.211 -4.384 -12.053 1.00 54.33 C ATOM 262 OD1 ASN A 17 -27.662 -4.006 -13.084 1.00 70.12 O ATOM 263 ND2 ASN A 17 -28.224 -3.644 -10.953 1.00 64.22 N ATOM 0 H ASN A 17 -26.882 -6.620 -10.742 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.498 -5.699 -9.948 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.412 -6.413 -12.695 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.935 -5.606 -12.376 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.769 -2.731 -10.947 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -28.689 -3.987 -10.113 1.00 64.22 H new ATOM 270 N ALA A 18 -28.976 -8.723 -11.209 1.00 24.13 N ATOM 271 CA ALA A 18 -29.552 -10.052 -11.361 1.00 52.44 C ATOM 272 C ALA A 18 -29.918 -10.643 -10.005 1.00 63.32 C ATOM 273 O ALA A 18 -31.018 -11.168 -9.818 1.00 53.11 O ATOM 274 CB ALA A 18 -28.592 -10.969 -12.102 1.00 44.34 C ATOM 0 H ALA A 18 -28.002 -8.648 -11.504 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.465 -9.961 -11.949 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.040 -11.957 -12.206 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.386 -10.558 -13.090 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.661 -11.050 -11.542 1.00 44.34 H new ATOM 280 N PHE A 19 -28.998 -10.549 -9.058 1.00 32.44 N ATOM 281 CA PHE A 19 -29.246 -11.014 -7.706 1.00 64.45 C ATOM 282 C PHE A 19 -28.958 -9.904 -6.701 1.00 11.13 C ATOM 283 O PHE A 19 -27.812 -9.698 -6.298 1.00 74.13 O ATOM 284 CB PHE A 19 -28.399 -12.248 -7.374 1.00 5.30 C ATOM 285 CG PHE A 19 -28.793 -13.486 -8.130 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.844 -14.275 -7.689 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.109 -13.866 -9.273 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.208 -15.416 -8.378 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.469 -15.006 -9.965 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.518 -15.783 -9.517 1.00 4.25 C ATOM 0 H PHE A 19 -28.069 -10.153 -9.204 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.297 -11.295 -7.641 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.353 -12.025 -7.584 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.473 -12.449 -6.305 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.384 -13.995 -6.797 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.285 -13.264 -9.627 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.031 -16.020 -8.026 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.930 -15.289 -10.857 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.799 -16.676 -10.056 1.00 4.25 H new ATOM 300 N PRO A 20 -29.997 -9.160 -6.295 1.00 74.32 N ATOM 301 CA PRO A 20 -29.871 -8.094 -5.296 1.00 62.04 C ATOM 302 C PRO A 20 -29.527 -8.651 -3.922 1.00 53.13 C ATOM 303 O PRO A 20 -29.092 -7.927 -3.027 1.00 3.14 O ATOM 304 CB PRO A 20 -31.262 -7.440 -5.273 1.00 73.25 C ATOM 305 CG PRO A 20 -31.940 -7.919 -6.509 1.00 43.34 C ATOM 306 CD PRO A 20 -31.374 -9.279 -6.787 1.00 54.10 C ATOM 0 HA PRO A 20 -29.071 -7.396 -5.543 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.818 -7.729 -4.381 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -31.186 -6.353 -5.262 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -33.020 -7.967 -6.369 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.756 -7.242 -7.343 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.925 -10.062 -6.265 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.405 -9.522 -7.849 1.00 54.10 H new ATOM 314 N GLU A 21 -29.710 -9.954 -3.777 1.00 43.25 N ATOM 315 CA GLU A 21 -29.473 -10.638 -2.517 1.00 14.45 C ATOM 316 C GLU A 21 -28.023 -11.092 -2.409 1.00 61.52 C ATOM 317 O GLU A 21 -27.569 -11.506 -1.343 1.00 44.12 O ATOM 318 CB GLU A 21 -30.381 -11.861 -2.419 1.00 73.54 C ATOM 319 CG GLU A 21 -31.847 -11.563 -2.677 1.00 25.00 C ATOM 320 CD GLU A 21 -32.449 -10.650 -1.635 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.781 -11.140 -0.536 1.00 31.02 O ATOM 322 OE2 GLU A 21 -32.612 -9.448 -1.916 1.00 2.14 O ATOM 0 H GLU A 21 -30.027 -10.566 -4.529 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.688 -9.942 -1.706 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.042 -12.611 -3.134 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.279 -12.298 -1.426 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.953 -11.105 -3.660 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.405 -12.499 -2.700 1.00 25.00 H new ATOM 329 N ALA A 22 -27.300 -11.018 -3.518 1.00 13.31 N ATOM 330 CA ALA A 22 -25.971 -11.600 -3.588 1.00 45.34 C ATOM 331 C ALA A 22 -24.876 -10.578 -3.316 1.00 74.40 C ATOM 332 O ALA A 22 -24.844 -9.503 -3.917 1.00 53.45 O ATOM 333 CB ALA A 22 -25.757 -12.235 -4.950 1.00 43.43 C ATOM 0 H ALA A 22 -27.611 -10.563 -4.376 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.907 -12.360 -2.809 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.758 -12.670 -4.996 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.500 -13.016 -5.108 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.858 -11.476 -5.725 1.00 43.43 H new ATOM 339 N GLU A 23 -23.977 -10.931 -2.408 1.00 31.23 N ATOM 340 CA GLU A 23 -22.792 -10.132 -2.146 1.00 5.24 C ATOM 341 C GLU A 23 -21.674 -10.572 -3.073 1.00 11.04 C ATOM 342 O GLU A 23 -21.326 -11.753 -3.120 1.00 5.32 O ATOM 343 CB GLU A 23 -22.356 -10.269 -0.686 1.00 2.23 C ATOM 344 CG GLU A 23 -23.379 -9.738 0.303 1.00 32.11 C ATOM 345 CD GLU A 23 -23.755 -8.296 0.029 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.871 -7.420 0.123 1.00 2.10 O ATOM 347 OE2 GLU A 23 -24.939 -8.032 -0.275 1.00 74.04 O ATOM 0 H GLU A 23 -24.049 -11.773 -1.837 1.00 31.23 H new ATOM 0 HA GLU A 23 -23.025 -9.083 -2.330 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -22.164 -11.320 -0.469 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.415 -9.737 -0.544 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -24.275 -10.358 0.263 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.980 -9.820 1.314 1.00 32.11 H new ATOM 354 N ILE A 24 -21.128 -9.627 -3.816 1.00 13.41 N ATOM 355 CA ILE A 24 -20.097 -9.930 -4.795 1.00 74.24 C ATOM 356 C ILE A 24 -18.714 -9.740 -4.187 1.00 61.32 C ATOM 357 O ILE A 24 -18.301 -8.616 -3.903 1.00 75.31 O ATOM 358 CB ILE A 24 -20.232 -9.018 -6.027 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.678 -9.022 -6.516 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.287 -9.476 -7.133 1.00 42.15 C ATOM 361 CD1 ILE A 24 -21.965 -7.967 -7.554 1.00 33.11 C ATOM 0 H ILE A 24 -21.381 -8.640 -3.761 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.222 -10.969 -5.100 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.959 -8.000 -5.749 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.910 -10.002 -6.932 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.342 -8.872 -5.664 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.394 -8.821 -7.998 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.259 -9.436 -6.773 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.531 -10.499 -7.420 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.011 -8.028 -7.856 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.765 -6.981 -7.135 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.327 -8.128 -8.423 1.00 33.11 H new ATOM 373 N THR A 25 -18.000 -10.833 -3.986 1.00 14.02 N ATOM 374 CA THR A 25 -16.660 -10.764 -3.434 1.00 54.43 C ATOM 375 C THR A 25 -15.623 -11.114 -4.496 1.00 60.33 C ATOM 376 O THR A 25 -15.470 -12.278 -4.870 1.00 24.53 O ATOM 377 CB THR A 25 -16.512 -11.715 -2.234 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.615 -11.532 -1.337 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.208 -11.472 -1.493 1.00 30.53 C ATOM 0 H THR A 25 -18.325 -11.777 -4.196 1.00 14.02 H new ATOM 0 HA THR A 25 -16.492 -9.742 -3.095 1.00 54.43 H new ATOM 0 HB THR A 25 -16.504 -12.738 -2.610 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.520 -12.140 -0.574 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.134 -12.160 -0.651 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.369 -11.635 -2.170 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.184 -10.446 -1.126 1.00 30.53 H new ATOM 387 N VAL A 26 -14.921 -10.100 -4.987 1.00 74.44 N ATOM 388 CA VAL A 26 -13.917 -10.294 -6.023 1.00 13.43 C ATOM 389 C VAL A 26 -12.582 -10.686 -5.404 1.00 70.34 C ATOM 390 O VAL A 26 -11.902 -9.863 -4.788 1.00 52.34 O ATOM 391 CB VAL A 26 -13.726 -9.024 -6.883 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.731 -9.275 -8.008 1.00 41.35 C ATOM 393 CG2 VAL A 26 -15.059 -8.549 -7.439 1.00 35.24 C ATOM 0 H VAL A 26 -15.030 -9.133 -4.683 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.274 -11.096 -6.669 1.00 13.43 H new ATOM 0 HB VAL A 26 -13.322 -8.239 -6.244 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.613 -8.367 -8.599 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -11.768 -9.560 -7.585 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.099 -10.078 -8.646 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -14.904 -7.654 -8.042 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.495 -9.333 -8.059 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.735 -8.319 -6.616 1.00 35.24 H new ATOM 403 N THR A 27 -12.226 -11.948 -5.551 1.00 53.51 N ATOM 404 CA THR A 27 -10.969 -12.457 -5.031 1.00 3.34 C ATOM 405 C THR A 27 -9.906 -12.475 -6.125 1.00 43.20 C ATOM 406 O THR A 27 -10.104 -13.074 -7.184 1.00 52.12 O ATOM 407 CB THR A 27 -11.150 -13.876 -4.456 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.194 -13.866 -3.472 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.864 -14.387 -3.819 1.00 63.14 C ATOM 0 H THR A 27 -12.795 -12.646 -6.031 1.00 53.51 H new ATOM 0 HA THR A 27 -10.643 -11.793 -4.230 1.00 3.34 H new ATOM 0 HB THR A 27 -11.413 -14.542 -5.278 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.309 -14.769 -3.108 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.027 -15.390 -3.424 1.00 63.14 H new ATOM 0 HG22 THR A 27 -9.073 -14.417 -4.569 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.570 -13.721 -3.008 1.00 63.14 H new ATOM 417 N SER A 28 -8.795 -11.802 -5.872 1.00 23.54 N ATOM 418 CA SER A 28 -7.702 -11.742 -6.828 1.00 22.03 C ATOM 419 C SER A 28 -6.884 -13.029 -6.771 1.00 14.30 C ATOM 420 O SER A 28 -6.568 -13.530 -5.688 1.00 32.51 O ATOM 421 CB SER A 28 -6.821 -10.524 -6.531 1.00 23.21 C ATOM 422 OG SER A 28 -5.835 -10.326 -7.529 1.00 51.11 O ATOM 0 H SER A 28 -8.626 -11.287 -5.008 1.00 23.54 H new ATOM 0 HA SER A 28 -8.108 -11.640 -7.834 1.00 22.03 H new ATOM 0 HB2 SER A 28 -7.446 -9.634 -6.457 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.336 -10.654 -5.563 1.00 23.21 H new ATOM 0 HG SER A 28 -6.263 -10.016 -8.354 1.00 51.11 H new ATOM 428 N LEU A 29 -6.562 -13.578 -7.934 1.00 60.25 N ATOM 429 CA LEU A 29 -5.807 -14.816 -7.995 1.00 24.55 C ATOM 430 C LEU A 29 -4.352 -14.529 -8.327 1.00 12.10 C ATOM 431 O LEU A 29 -4.046 -13.875 -9.324 1.00 65.12 O ATOM 432 CB LEU A 29 -6.414 -15.771 -9.021 1.00 52.33 C ATOM 433 CG LEU A 29 -7.904 -16.067 -8.819 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.406 -17.048 -9.865 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.157 -16.601 -7.418 1.00 60.32 C ATOM 0 H LEU A 29 -6.811 -13.186 -8.842 1.00 60.25 H new ATOM 0 HA LEU A 29 -5.853 -15.296 -7.018 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -6.273 -15.350 -10.017 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.864 -16.711 -8.992 1.00 52.33 H new ATOM 0 HG LEU A 29 -8.456 -15.134 -8.936 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.466 -17.243 -9.702 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.264 -16.624 -10.859 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -7.849 -17.981 -9.785 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.220 -16.805 -7.293 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.591 -17.521 -7.272 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.841 -15.860 -6.684 1.00 60.32 H new ATOM 447 N VAL A 30 -3.461 -15.021 -7.475 1.00 4.40 N ATOM 448 CA VAL A 30 -2.033 -14.766 -7.610 1.00 1.44 C ATOM 449 C VAL A 30 -1.450 -15.404 -8.871 1.00 64.14 C ATOM 450 O VAL A 30 -2.090 -16.239 -9.520 1.00 15.34 O ATOM 451 CB VAL A 30 -1.261 -15.282 -6.379 1.00 71.32 C ATOM 452 CG1 VAL A 30 -1.714 -14.552 -5.124 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.437 -16.786 -6.222 1.00 30.41 C ATOM 0 H VAL A 30 -3.706 -15.605 -6.675 1.00 4.40 H new ATOM 0 HA VAL A 30 -1.919 -13.685 -7.687 1.00 1.44 H new ATOM 0 HB VAL A 30 -0.200 -15.081 -6.530 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.159 -14.928 -4.264 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -1.528 -13.484 -5.237 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -2.780 -14.720 -4.970 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -0.884 -17.128 -5.347 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -2.495 -17.017 -6.096 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -1.059 -17.291 -7.111 1.00 30.41 H new ATOM 463 N GLY A 31 -0.230 -15.012 -9.208 1.00 42.32 N ATOM 464 CA GLY A 31 0.421 -15.538 -10.387 1.00 63.24 C ATOM 465 C GLY A 31 0.812 -14.445 -11.355 1.00 24.53 C ATOM 466 O GLY A 31 1.360 -13.418 -10.950 1.00 24.33 O ATOM 0 H GLY A 31 0.322 -14.335 -8.682 1.00 42.32 H new ATOM 0 HA2 GLY A 31 1.310 -16.095 -10.092 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.246 -16.242 -10.885 1.00 63.24 H new ATOM 470 N ASP A 32 0.523 -14.652 -12.631 1.00 54.21 N ATOM 471 CA ASP A 32 0.864 -13.669 -13.653 1.00 24.22 C ATOM 472 C ASP A 32 -0.299 -13.481 -14.618 1.00 21.34 C ATOM 473 O ASP A 32 -0.228 -12.694 -15.562 1.00 50.54 O ATOM 474 CB ASP A 32 2.116 -14.111 -14.418 1.00 33.31 C ATOM 475 CG ASP A 32 2.762 -12.975 -15.191 1.00 63.05 C ATOM 476 OD1 ASP A 32 3.417 -12.126 -14.552 1.00 1.50 O ATOM 477 OD2 ASP A 32 2.647 -12.942 -16.436 1.00 71.24 O ATOM 0 H ASP A 32 0.055 -15.487 -12.984 1.00 54.21 H new ATOM 0 HA ASP A 32 1.069 -12.717 -13.163 1.00 24.22 H new ATOM 0 HB2 ASP A 32 2.839 -14.524 -13.715 1.00 33.31 H new ATOM 0 HB3 ASP A 32 1.851 -14.911 -15.109 1.00 33.31 H new ATOM 482 N ASN A 33 -1.377 -14.206 -14.373 1.00 11.01 N ATOM 483 CA ASN A 33 -2.550 -14.142 -15.231 1.00 33.31 C ATOM 484 C ASN A 33 -3.608 -13.254 -14.598 1.00 73.15 C ATOM 485 O ASN A 33 -3.737 -13.211 -13.373 1.00 35.41 O ATOM 486 CB ASN A 33 -3.134 -15.543 -15.456 1.00 23.21 C ATOM 487 CG ASN A 33 -2.149 -16.525 -16.067 1.00 63.34 C ATOM 488 OD1 ASN A 33 -2.218 -17.727 -15.803 1.00 61.15 O ATOM 489 ND2 ASN A 33 -1.237 -16.036 -16.894 1.00 30.04 N ATOM 0 H ASN A 33 -1.465 -14.848 -13.585 1.00 11.01 H new ATOM 0 HA ASN A 33 -2.248 -13.726 -16.192 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -3.483 -15.939 -14.502 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -4.005 -15.464 -16.107 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -0.562 -16.660 -17.336 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -1.210 -15.035 -17.089 1.00 30.04 H new ATOM 496 N ASN A 34 -4.370 -12.551 -15.423 1.00 61.41 N ATOM 497 CA ASN A 34 -5.479 -11.754 -14.924 1.00 4.13 C ATOM 498 C ASN A 34 -6.660 -12.663 -14.643 1.00 1.44 C ATOM 499 O ASN A 34 -7.563 -12.817 -15.467 1.00 40.12 O ATOM 500 CB ASN A 34 -5.888 -10.655 -15.913 1.00 53.13 C ATOM 501 CG ASN A 34 -4.894 -9.509 -15.979 1.00 60.20 C ATOM 502 OD1 ASN A 34 -3.685 -9.701 -15.863 1.00 22.32 O ATOM 503 ND2 ASN A 34 -5.403 -8.301 -16.173 1.00 24.41 N ATOM 0 H ASN A 34 -4.242 -12.516 -16.434 1.00 61.41 H new ATOM 0 HA ASN A 34 -5.156 -11.261 -14.007 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -5.996 -11.091 -16.906 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.865 -10.264 -15.628 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -4.786 -7.491 -16.231 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -6.412 -8.181 -16.265 1.00 24.41 H new ATOM 510 N HIS A 35 -6.610 -13.323 -13.502 1.00 11.54 N ATOM 511 CA HIS A 35 -7.663 -14.236 -13.106 1.00 21.41 C ATOM 512 C HIS A 35 -8.234 -13.822 -11.765 1.00 54.15 C ATOM 513 O HIS A 35 -7.498 -13.459 -10.849 1.00 54.44 O ATOM 514 CB HIS A 35 -7.146 -15.675 -13.035 1.00 25.33 C ATOM 515 CG HIS A 35 -6.958 -16.331 -14.370 1.00 13.33 C ATOM 516 ND1 HIS A 35 -7.052 -15.659 -15.576 1.00 35.21 N ATOM 517 CD2 HIS A 35 -6.688 -17.618 -14.684 1.00 50.13 C ATOM 518 CE1 HIS A 35 -6.851 -16.509 -16.565 1.00 24.43 C ATOM 519 NE2 HIS A 35 -6.628 -17.702 -16.050 1.00 23.03 N ATOM 0 H HIS A 35 -5.847 -13.243 -12.830 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.450 -14.194 -13.859 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -6.194 -15.681 -12.504 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -7.844 -16.270 -12.446 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -6.546 -18.430 -13.986 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -6.867 -16.268 -17.618 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -6.441 -18.551 -16.583 1.00 23.03 H new ATOM 528 N TYR A 36 -9.545 -13.848 -11.666 1.00 43.33 N ATOM 529 CA TYR A 36 -10.216 -13.536 -10.424 1.00 71.31 C ATOM 530 C TYR A 36 -11.264 -14.588 -10.120 1.00 40.50 C ATOM 531 O TYR A 36 -11.699 -15.322 -11.008 1.00 24.43 O ATOM 532 CB TYR A 36 -10.884 -12.161 -10.492 1.00 22.12 C ATOM 533 CG TYR A 36 -9.928 -11.010 -10.728 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.279 -10.398 -9.665 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.682 -10.535 -12.010 1.00 43.30 C ATOM 536 CE1 TYR A 36 -8.410 -9.344 -9.872 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.813 -9.483 -12.224 1.00 62.54 C ATOM 538 CZ TYR A 36 -8.181 -8.890 -11.151 1.00 1.54 C ATOM 539 OH TYR A 36 -7.318 -7.839 -11.359 1.00 12.31 O ATOM 0 H TYR A 36 -10.171 -14.084 -12.436 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.468 -13.523 -9.632 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.626 -12.170 -11.291 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.421 -11.985 -9.560 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.456 -10.751 -8.660 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.178 -10.995 -12.852 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -7.913 -8.878 -9.034 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.629 -9.126 -13.227 1.00 62.54 H new ATOM 0 HH TYR A 36 -7.267 -7.643 -12.318 1.00 12.31 H new ATOM 549 N SER A 37 -11.637 -14.674 -8.862 1.00 2.23 N ATOM 550 CA SER A 37 -12.747 -15.504 -8.447 1.00 21.11 C ATOM 551 C SER A 37 -13.817 -14.625 -7.821 1.00 62.15 C ATOM 552 O SER A 37 -13.566 -13.944 -6.825 1.00 50.13 O ATOM 553 CB SER A 37 -12.280 -16.562 -7.446 1.00 62.23 C ATOM 554 OG SER A 37 -11.254 -17.370 -7.997 1.00 63.00 O ATOM 0 H SER A 37 -11.181 -14.172 -8.100 1.00 2.23 H new ATOM 0 HA SER A 37 -13.158 -16.017 -9.316 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.917 -16.075 -6.541 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.123 -17.188 -7.155 1.00 62.23 H new ATOM 0 HG SER A 37 -10.928 -17.995 -7.316 1.00 63.00 H new ATOM 560 N ILE A 38 -15.004 -14.620 -8.403 1.00 34.53 N ATOM 561 CA ILE A 38 -16.085 -13.808 -7.875 1.00 12.35 C ATOM 562 C ILE A 38 -17.016 -14.665 -7.038 1.00 21.51 C ATOM 563 O ILE A 38 -17.768 -15.494 -7.552 1.00 24.12 O ATOM 564 CB ILE A 38 -16.874 -13.076 -8.990 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.321 -14.050 -10.086 1.00 24.33 C ATOM 566 CG2 ILE A 38 -16.023 -11.956 -9.576 1.00 23.22 C ATOM 567 CD1 ILE A 38 -18.168 -13.409 -11.165 1.00 24.22 C ATOM 0 H ILE A 38 -15.242 -15.163 -9.233 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.638 -13.037 -7.247 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.773 -12.644 -8.550 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.438 -14.494 -10.546 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.886 -14.863 -9.629 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -16.583 -11.445 -10.359 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -15.767 -11.245 -8.791 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -15.110 -12.376 -9.998 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -18.445 -14.160 -11.904 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -19.069 -12.989 -10.719 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -17.600 -12.615 -11.650 1.00 24.22 H new ATOM 579 N LYS A 39 -16.913 -14.493 -5.732 1.00 62.41 N ATOM 580 CA LYS A 39 -17.690 -15.276 -4.796 1.00 70.34 C ATOM 581 C LYS A 39 -19.051 -14.635 -4.580 1.00 25.51 C ATOM 582 O LYS A 39 -19.153 -13.530 -4.043 1.00 73.43 O ATOM 583 CB LYS A 39 -16.946 -15.430 -3.469 1.00 35.52 C ATOM 584 CG LYS A 39 -17.648 -16.343 -2.479 1.00 1.32 C ATOM 585 CD LYS A 39 -16.800 -16.585 -1.241 1.00 0.22 C ATOM 586 CE LYS A 39 -16.510 -15.294 -0.491 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.647 -15.528 0.696 1.00 52.43 N ATOM 0 H LYS A 39 -16.292 -13.811 -5.296 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.838 -16.271 -5.215 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -15.948 -15.821 -3.665 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -16.820 -14.446 -3.017 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.600 -15.900 -2.187 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.873 -17.296 -2.958 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -17.314 -17.282 -0.579 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -15.860 -17.055 -1.531 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -16.022 -14.586 -1.161 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -17.448 -14.839 -0.174 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.472 -14.625 1.181 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.123 -16.184 1.347 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -14.742 -15.939 0.391 1.00 52.43 H new ATOM 601 N VAL A 40 -20.079 -15.329 -5.031 1.00 63.22 N ATOM 602 CA VAL A 40 -21.443 -14.859 -4.925 1.00 35.24 C ATOM 603 C VAL A 40 -22.079 -15.374 -3.636 1.00 33.00 C ATOM 604 O VAL A 40 -22.370 -16.565 -3.507 1.00 4.22 O ATOM 605 CB VAL A 40 -22.278 -15.326 -6.136 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.684 -14.766 -6.077 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.601 -14.933 -7.440 1.00 42.04 C ATOM 0 H VAL A 40 -19.988 -16.239 -5.483 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.426 -13.769 -4.910 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.346 -16.413 -6.097 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.250 -15.111 -6.942 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.173 -15.106 -5.164 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.642 -13.677 -6.082 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.206 -15.272 -8.281 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.495 -13.849 -7.483 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.616 -15.396 -7.492 1.00 42.04 H new ATOM 617 N ILE A 41 -22.258 -14.482 -2.676 1.00 54.23 N ATOM 618 CA ILE A 41 -22.876 -14.841 -1.407 1.00 33.03 C ATOM 619 C ILE A 41 -24.369 -14.539 -1.441 1.00 40.43 C ATOM 620 O ILE A 41 -24.771 -13.380 -1.358 1.00 0.12 O ATOM 621 CB ILE A 41 -22.230 -14.076 -0.231 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.717 -14.328 -0.194 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.878 -14.475 1.090 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.344 -15.778 0.023 1.00 73.31 C ATOM 0 H ILE A 41 -21.984 -13.502 -2.750 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.720 -15.909 -1.257 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.395 -13.009 -0.381 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.278 -13.986 -1.131 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.277 -13.727 0.602 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.409 -13.925 1.906 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.942 -14.240 1.059 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.747 -15.545 1.251 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.259 -15.876 0.037 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.752 -16.120 0.974 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.753 -16.384 -0.786 1.00 73.31 H new ATOM 636 N SER A 42 -25.184 -15.576 -1.587 1.00 20.34 N ATOM 637 CA SER A 42 -26.626 -15.412 -1.634 1.00 24.41 C ATOM 638 C SER A 42 -27.328 -16.708 -1.250 1.00 53.10 C ATOM 639 O SER A 42 -27.021 -17.778 -1.786 1.00 71.22 O ATOM 640 CB SER A 42 -27.067 -14.974 -3.032 1.00 15.34 C ATOM 641 OG SER A 42 -28.469 -14.760 -3.085 1.00 44.11 O ATOM 0 H SER A 42 -24.867 -16.541 -1.675 1.00 20.34 H new ATOM 0 HA SER A 42 -26.904 -14.640 -0.917 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.546 -14.058 -3.310 1.00 15.34 H new ATOM 0 HB3 SER A 42 -26.785 -15.735 -3.760 1.00 15.34 H new ATOM 0 HG SER A 42 -28.723 -14.479 -3.989 1.00 44.11 H new ATOM 647 N SER A 43 -28.290 -16.601 -0.340 1.00 30.43 N ATOM 648 CA SER A 43 -29.046 -17.753 0.130 1.00 73.12 C ATOM 649 C SER A 43 -29.901 -18.330 -1.002 1.00 23.01 C ATOM 650 O SER A 43 -30.414 -19.447 -0.908 1.00 1.22 O ATOM 651 CB SER A 43 -29.923 -17.352 1.321 1.00 14.53 C ATOM 652 OG SER A 43 -30.587 -18.474 1.879 1.00 21.44 O ATOM 0 H SER A 43 -28.566 -15.718 0.090 1.00 30.43 H new ATOM 0 HA SER A 43 -28.348 -18.525 0.455 1.00 73.12 H new ATOM 0 HB2 SER A 43 -29.307 -16.876 2.084 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.659 -16.615 1.000 1.00 14.53 H new ATOM 0 HG SER A 43 -30.676 -19.173 1.198 1.00 21.44 H new ATOM 658 N GLN A 44 -30.038 -17.567 -2.081 1.00 22.21 N ATOM 659 CA GLN A 44 -30.738 -18.030 -3.271 1.00 35.52 C ATOM 660 C GLN A 44 -30.023 -19.231 -3.886 1.00 53.44 C ATOM 661 O GLN A 44 -30.648 -20.064 -4.539 1.00 5.22 O ATOM 662 CB GLN A 44 -30.853 -16.900 -4.295 1.00 53.01 C ATOM 663 CG GLN A 44 -31.819 -15.801 -3.879 1.00 53.14 C ATOM 664 CD GLN A 44 -33.246 -16.302 -3.750 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.657 -17.229 -4.450 1.00 4.51 O ATOM 666 NE2 GLN A 44 -34.008 -15.701 -2.848 1.00 42.54 N ATOM 0 H GLN A 44 -29.670 -16.619 -2.155 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.741 -18.340 -2.978 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.867 -16.464 -4.456 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.177 -17.316 -5.249 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -31.497 -15.380 -2.926 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.785 -14.995 -4.612 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.630 -14.937 -2.288 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -34.973 -16.002 -2.713 1.00 42.54 H new ATOM 675 N PHE A 45 -28.716 -19.331 -3.658 1.00 2.34 N ATOM 676 CA PHE A 45 -27.939 -20.452 -4.178 1.00 54.05 C ATOM 677 C PHE A 45 -27.933 -21.613 -3.188 1.00 52.21 C ATOM 678 O PHE A 45 -27.507 -22.723 -3.513 1.00 54.32 O ATOM 679 CB PHE A 45 -26.506 -20.017 -4.493 1.00 21.10 C ATOM 680 CG PHE A 45 -26.392 -19.167 -5.726 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.197 -19.754 -6.964 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.471 -17.786 -5.648 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.086 -18.982 -8.103 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.361 -17.010 -6.785 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.168 -17.607 -8.014 1.00 32.51 C ATOM 0 H PHE A 45 -28.176 -18.654 -3.120 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.410 -20.789 -5.101 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.108 -19.464 -3.642 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.885 -20.904 -4.615 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.131 -20.829 -7.040 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.620 -17.312 -4.689 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -25.935 -19.453 -9.063 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.426 -15.934 -6.712 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.081 -17.000 -8.903 1.00 32.51 H new ATOM 695 N GLN A 46 -28.429 -21.351 -1.990 1.00 72.45 N ATOM 696 CA GLN A 46 -28.480 -22.358 -0.940 1.00 75.13 C ATOM 697 C GLN A 46 -29.751 -23.187 -1.098 1.00 33.34 C ATOM 698 O GLN A 46 -30.819 -22.647 -1.394 1.00 13.13 O ATOM 699 CB GLN A 46 -28.440 -21.666 0.430 1.00 64.41 C ATOM 700 CG GLN A 46 -27.855 -22.502 1.569 1.00 21.44 C ATOM 701 CD GLN A 46 -28.764 -23.620 2.045 1.00 44.02 C ATOM 702 OE1 GLN A 46 -28.667 -24.755 1.589 1.00 34.13 O ATOM 703 NE2 GLN A 46 -29.657 -23.301 2.965 1.00 64.01 N ATOM 0 H GLN A 46 -28.805 -20.443 -1.718 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.621 -23.025 -1.015 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -27.858 -20.749 0.338 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -29.455 -21.373 0.700 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -26.909 -22.932 1.241 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -27.632 -21.846 2.410 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -29.706 -22.346 3.319 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -30.298 -24.010 3.321 1.00 64.01 H new ATOM 712 N GLY A 47 -29.622 -24.494 -0.930 1.00 61.23 N ATOM 713 CA GLY A 47 -30.761 -25.381 -1.045 1.00 30.52 C ATOM 714 C GLY A 47 -30.842 -26.045 -2.404 1.00 5.25 C ATOM 715 O GLY A 47 -31.635 -26.966 -2.610 1.00 33.03 O ATOM 0 H GLY A 47 -28.741 -24.960 -0.714 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -30.700 -26.147 -0.272 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.676 -24.818 -0.864 1.00 30.52 H new ATOM 719 N LYS A 48 -30.011 -25.594 -3.327 1.00 74.22 N ATOM 720 CA LYS A 48 -29.991 -26.148 -4.675 1.00 25.13 C ATOM 721 C LYS A 48 -28.788 -27.063 -4.849 1.00 55.24 C ATOM 722 O LYS A 48 -27.750 -26.856 -4.219 1.00 42.13 O ATOM 723 CB LYS A 48 -29.953 -25.035 -5.734 1.00 2.30 C ATOM 724 CG LYS A 48 -31.237 -24.222 -5.845 1.00 31.41 C ATOM 725 CD LYS A 48 -31.438 -23.304 -4.652 1.00 43.32 C ATOM 726 CE LYS A 48 -32.734 -22.524 -4.761 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.954 -21.654 -3.577 1.00 10.22 N ATOM 0 H LYS A 48 -29.338 -24.844 -3.170 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.907 -26.723 -4.814 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.129 -24.359 -5.503 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -29.736 -25.482 -6.704 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -31.211 -23.628 -6.759 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -32.088 -24.898 -5.928 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.443 -23.894 -3.735 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.600 -22.611 -4.580 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -32.716 -21.913 -5.663 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -33.569 -23.218 -4.863 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -33.908 -21.242 -3.622 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.862 -22.219 -2.709 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -32.247 -20.891 -3.570 1.00 10.22 H new ATOM 741 N SER A 49 -28.930 -28.076 -5.692 1.00 13.41 N ATOM 742 CA SER A 49 -27.843 -29.006 -5.948 1.00 51.51 C ATOM 743 C SER A 49 -26.913 -28.448 -7.022 1.00 12.24 C ATOM 744 O SER A 49 -27.233 -27.440 -7.658 1.00 74.40 O ATOM 745 CB SER A 49 -28.402 -30.361 -6.369 1.00 73.24 C ATOM 746 OG SER A 49 -29.276 -30.883 -5.379 1.00 23.44 O ATOM 0 H SER A 49 -29.787 -28.273 -6.209 1.00 13.41 H new ATOM 0 HA SER A 49 -27.267 -29.139 -5.032 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.936 -30.260 -7.314 1.00 73.24 H new ATOM 0 HB3 SER A 49 -27.582 -31.059 -6.540 1.00 73.24 H new ATOM 0 HG SER A 49 -29.622 -31.751 -5.673 1.00 23.44 H new ATOM 752 N LYS A 50 -25.774 -29.110 -7.226 1.00 4.42 N ATOM 753 CA LYS A 50 -24.722 -28.609 -8.114 1.00 71.43 C ATOM 754 C LYS A 50 -25.245 -28.242 -9.498 1.00 23.45 C ATOM 755 O LYS A 50 -24.920 -27.175 -10.018 1.00 32.41 O ATOM 756 CB LYS A 50 -23.589 -29.631 -8.240 1.00 4.10 C ATOM 757 CG LYS A 50 -22.748 -29.760 -6.980 1.00 64.11 C ATOM 758 CD LYS A 50 -21.582 -30.717 -7.173 1.00 23.40 C ATOM 759 CE LYS A 50 -22.055 -32.129 -7.477 1.00 14.31 C ATOM 760 NZ LYS A 50 -20.913 -33.061 -7.649 1.00 52.11 N ATOM 0 H LYS A 50 -25.554 -30.003 -6.784 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.340 -27.696 -7.658 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -24.014 -30.604 -8.485 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.944 -29.346 -9.071 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -22.369 -28.779 -6.694 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.374 -30.111 -6.160 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -20.951 -30.362 -7.988 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.966 -30.726 -6.274 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -22.695 -32.481 -6.668 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -22.661 -32.124 -8.383 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -21.272 -34.015 -7.855 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -20.317 -32.737 -8.437 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -20.349 -33.084 -6.775 1.00 52.11 H new ATOM 774 N LEU A 51 -26.056 -29.109 -10.090 1.00 35.35 N ATOM 775 CA LEU A 51 -26.555 -28.876 -11.441 1.00 23.42 C ATOM 776 C LEU A 51 -27.387 -27.596 -11.492 1.00 5.20 C ATOM 777 O LEU A 51 -27.191 -26.748 -12.369 1.00 63.51 O ATOM 778 CB LEU A 51 -27.387 -30.069 -11.922 1.00 12.31 C ATOM 779 CG LEU A 51 -26.664 -31.420 -11.896 1.00 32.31 C ATOM 780 CD1 LEU A 51 -27.588 -32.529 -12.368 1.00 43.12 C ATOM 781 CD2 LEU A 51 -25.409 -31.375 -12.756 1.00 32.51 C ATOM 0 H LEU A 51 -26.381 -29.975 -9.660 1.00 35.35 H new ATOM 0 HA LEU A 51 -25.699 -28.761 -12.105 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -28.281 -30.141 -11.303 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -27.720 -29.872 -12.941 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.369 -31.628 -10.867 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -27.057 -33.481 -12.343 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -28.458 -32.581 -11.713 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.913 -32.322 -13.388 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -24.911 -32.344 -12.724 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -25.681 -31.141 -13.785 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -24.735 -30.608 -12.376 1.00 32.51 H new ATOM 793 N GLU A 52 -28.298 -27.458 -10.534 1.00 71.20 N ATOM 794 CA GLU A 52 -29.127 -26.263 -10.412 1.00 3.31 C ATOM 795 C GLU A 52 -28.257 -25.021 -10.235 1.00 30.12 C ATOM 796 O GLU A 52 -28.469 -24.002 -10.893 1.00 1.51 O ATOM 797 CB GLU A 52 -30.080 -26.393 -9.220 1.00 30.33 C ATOM 798 CG GLU A 52 -31.040 -27.568 -9.317 1.00 23.32 C ATOM 799 CD GLU A 52 -31.837 -27.769 -8.045 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.283 -28.338 -7.079 1.00 33.02 O ATOM 801 OE2 GLU A 52 -33.018 -27.364 -8.003 1.00 61.13 O ATOM 0 H GLU A 52 -28.482 -28.167 -9.824 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.709 -26.161 -11.328 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.492 -26.493 -8.308 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.657 -25.473 -9.128 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.725 -27.407 -10.150 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.478 -28.476 -9.538 1.00 23.32 H new ATOM 808 N GLN A 53 -27.268 -25.124 -9.350 1.00 12.11 N ATOM 809 CA GLN A 53 -26.372 -24.007 -9.060 1.00 42.34 C ATOM 810 C GLN A 53 -25.629 -23.569 -10.316 1.00 43.01 C ATOM 811 O GLN A 53 -25.573 -22.381 -10.634 1.00 50.30 O ATOM 812 CB GLN A 53 -25.355 -24.390 -7.981 1.00 43.04 C ATOM 813 CG GLN A 53 -25.982 -24.842 -6.673 1.00 62.32 C ATOM 814 CD GLN A 53 -24.944 -25.320 -5.677 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.568 -26.492 -5.664 1.00 70.33 O ATOM 816 NE2 GLN A 53 -24.477 -24.418 -4.833 1.00 33.33 N ATOM 0 H GLN A 53 -27.067 -25.972 -8.820 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.984 -23.181 -8.698 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.719 -25.189 -8.363 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.709 -23.534 -7.786 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.547 -24.017 -6.239 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.691 -25.646 -6.870 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -24.814 -23.456 -4.876 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -23.779 -24.683 -4.138 1.00 33.33 H new ATOM 825 N HIS A 54 -25.079 -24.540 -11.041 1.00 11.40 N ATOM 826 CA HIS A 54 -24.315 -24.247 -12.247 1.00 50.22 C ATOM 827 C HIS A 54 -25.209 -23.594 -13.294 1.00 75.33 C ATOM 828 O HIS A 54 -24.803 -22.640 -13.957 1.00 22.05 O ATOM 829 CB HIS A 54 -23.665 -25.513 -12.817 1.00 60.03 C ATOM 830 CG HIS A 54 -22.696 -26.171 -11.882 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.512 -27.536 -11.828 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.871 -25.646 -10.945 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.629 -27.822 -10.890 1.00 21.24 C ATOM 834 NE2 HIS A 54 -21.220 -26.693 -10.344 1.00 73.11 N ATOM 0 H HIS A 54 -25.149 -25.532 -10.814 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.518 -23.553 -11.979 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -24.447 -26.227 -13.075 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.147 -25.259 -13.742 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.749 -24.598 -10.714 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -21.297 -28.813 -10.616 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.531 -26.612 -9.596 1.00 73.11 H new ATOM 843 N ARG A 55 -26.434 -24.098 -13.427 1.00 60.31 N ATOM 844 CA ARG A 55 -27.391 -23.532 -14.371 1.00 40.14 C ATOM 845 C ARG A 55 -27.773 -22.109 -13.991 1.00 43.34 C ATOM 846 O ARG A 55 -27.944 -21.259 -14.863 1.00 3.25 O ATOM 847 CB ARG A 55 -28.640 -24.405 -14.475 1.00 52.11 C ATOM 848 CG ARG A 55 -28.662 -25.248 -15.740 1.00 35.13 C ATOM 849 CD ARG A 55 -29.907 -26.112 -15.835 1.00 61.41 C ATOM 850 NE ARG A 55 -30.046 -26.694 -17.169 1.00 74.14 N ATOM 851 CZ ARG A 55 -30.719 -27.808 -17.442 1.00 14.23 C ATOM 852 NH1 ARG A 55 -31.277 -28.525 -16.472 1.00 74.13 N ATOM 853 NH2 ARG A 55 -30.815 -28.219 -18.700 1.00 52.14 N ATOM 0 H ARG A 55 -26.785 -24.894 -12.895 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.905 -23.503 -15.346 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.694 -25.060 -13.606 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.525 -23.770 -14.451 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.609 -24.594 -16.611 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.778 -25.885 -15.765 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -29.858 -26.908 -15.092 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -30.787 -25.513 -15.603 1.00 61.41 H new ATOM 0 HE ARG A 55 -29.595 -26.211 -17.946 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -31.192 -28.223 -15.501 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -31.790 -29.377 -16.698 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -30.375 -27.682 -19.447 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -31.329 -29.072 -18.920 1.00 52.14 H new ATOM 867 N MET A 56 -27.892 -21.844 -12.696 1.00 5.13 N ATOM 868 CA MET A 56 -28.184 -20.495 -12.233 1.00 13.24 C ATOM 869 C MET A 56 -27.021 -19.565 -12.560 1.00 73.24 C ATOM 870 O MET A 56 -27.222 -18.400 -12.914 1.00 12.14 O ATOM 871 CB MET A 56 -28.483 -20.475 -10.732 1.00 12.34 C ATOM 872 CG MET A 56 -29.815 -21.115 -10.366 1.00 75.15 C ATOM 873 SD MET A 56 -30.225 -20.937 -8.617 1.00 61.02 S ATOM 874 CE MET A 56 -28.903 -21.875 -7.857 1.00 11.14 C ATOM 0 H MET A 56 -27.792 -22.538 -11.955 1.00 5.13 H new ATOM 0 HA MET A 56 -29.075 -20.143 -12.753 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.683 -20.994 -10.204 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.478 -19.442 -10.383 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.605 -20.665 -10.967 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.785 -22.174 -10.621 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.031 -21.872 -6.774 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.928 -22.902 -8.223 1.00 11.14 H new ATOM 0 HE3 MET A 56 -27.944 -21.423 -8.111 1.00 11.14 H new ATOM 884 N ILE A 57 -25.804 -20.093 -12.451 1.00 55.45 N ATOM 885 CA ILE A 57 -24.608 -19.361 -12.850 1.00 13.21 C ATOM 886 C ILE A 57 -24.660 -19.038 -14.345 1.00 34.43 C ATOM 887 O ILE A 57 -24.325 -17.929 -14.766 1.00 62.10 O ATOM 888 CB ILE A 57 -23.325 -20.162 -12.532 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.211 -20.394 -11.020 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.091 -19.442 -13.057 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.042 -21.269 -10.616 1.00 2.10 C ATOM 0 H ILE A 57 -25.622 -21.029 -12.088 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.580 -18.433 -12.279 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.388 -21.128 -13.032 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.119 -19.429 -10.521 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.134 -20.851 -10.663 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.201 -20.026 -12.821 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.171 -19.324 -14.138 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.016 -18.460 -12.589 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.031 -21.384 -9.532 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.142 -22.248 -11.084 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.111 -20.805 -10.940 1.00 2.10 H new ATOM 903 N TYR A 58 -25.108 -20.005 -15.140 1.00 15.22 N ATOM 904 CA TYR A 58 -25.258 -19.797 -16.578 1.00 4.35 C ATOM 905 C TYR A 58 -26.318 -18.739 -16.860 1.00 73.40 C ATOM 906 O TYR A 58 -26.194 -17.970 -17.809 1.00 43.54 O ATOM 907 CB TYR A 58 -25.628 -21.100 -17.298 1.00 3.41 C ATOM 908 CG TYR A 58 -24.590 -22.192 -17.172 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.234 -21.908 -17.271 1.00 21.34 C ATOM 910 CD2 TYR A 58 -24.971 -23.510 -16.956 1.00 0.24 C ATOM 911 CE1 TYR A 58 -22.286 -22.906 -17.151 1.00 75.23 C ATOM 912 CE2 TYR A 58 -24.031 -24.513 -16.836 1.00 44.13 C ATOM 913 CZ TYR A 58 -22.691 -24.207 -16.933 1.00 54.23 C ATOM 914 OH TYR A 58 -21.754 -25.207 -16.812 1.00 40.03 O ATOM 0 H TYR A 58 -25.372 -20.935 -14.816 1.00 15.22 H new ATOM 0 HA TYR A 58 -24.296 -19.454 -16.959 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -26.575 -21.466 -16.900 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -25.788 -20.886 -18.355 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -22.915 -20.891 -17.445 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -26.020 -23.754 -16.881 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -21.235 -22.669 -17.227 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -24.344 -25.533 -16.667 1.00 44.13 H new ATOM 0 HH TYR A 58 -22.207 -26.063 -16.661 1.00 40.03 H new ATOM 924 N LYS A 59 -27.358 -18.708 -16.033 1.00 73.42 N ATOM 925 CA LYS A 59 -28.421 -17.716 -16.169 1.00 51.11 C ATOM 926 C LYS A 59 -27.905 -16.304 -15.914 1.00 44.10 C ATOM 927 O LYS A 59 -28.118 -15.400 -16.720 1.00 22.41 O ATOM 928 CB LYS A 59 -29.565 -18.007 -15.196 1.00 13.12 C ATOM 929 CG LYS A 59 -30.344 -19.278 -15.501 1.00 73.15 C ATOM 930 CD LYS A 59 -31.507 -19.455 -14.539 1.00 61.04 C ATOM 931 CE LYS A 59 -32.484 -18.290 -14.630 1.00 2.45 C ATOM 932 NZ LYS A 59 -33.630 -18.443 -13.700 1.00 73.34 N ATOM 0 H LYS A 59 -27.488 -19.360 -15.259 1.00 73.42 H new ATOM 0 HA LYS A 59 -28.785 -17.781 -17.194 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.158 -18.078 -14.187 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -30.254 -17.163 -15.203 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.718 -19.242 -16.524 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.680 -20.140 -15.435 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -32.027 -20.387 -14.762 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.129 -19.537 -13.520 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.960 -17.361 -14.407 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.856 -18.209 -15.651 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -34.267 -17.627 -13.797 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -34.148 -19.316 -13.928 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -33.279 -18.493 -12.722 1.00 73.34 H new ATOM 946 N VAL A 60 -27.231 -16.120 -14.787 1.00 40.42 N ATOM 947 CA VAL A 60 -26.801 -14.793 -14.363 1.00 13.04 C ATOM 948 C VAL A 60 -25.637 -14.266 -15.209 1.00 62.12 C ATOM 949 O VAL A 60 -25.569 -13.073 -15.513 1.00 21.20 O ATOM 950 CB VAL A 60 -26.416 -14.777 -12.860 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.290 -15.755 -12.558 1.00 54.03 C ATOM 952 CG2 VAL A 60 -26.037 -13.376 -12.413 1.00 74.32 C ATOM 0 H VAL A 60 -26.970 -16.872 -14.149 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.652 -14.129 -14.513 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.293 -15.096 -12.297 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.048 -15.715 -11.496 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.605 -16.765 -12.821 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -24.409 -15.487 -13.141 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -25.771 -13.391 -11.356 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -25.186 -13.026 -12.996 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -26.882 -12.704 -12.565 1.00 74.32 H new ATOM 962 N LEU A 61 -24.734 -15.153 -15.604 1.00 32.20 N ATOM 963 CA LEU A 61 -23.547 -14.746 -16.345 1.00 23.13 C ATOM 964 C LEU A 61 -23.823 -14.756 -17.848 1.00 43.05 C ATOM 965 O LEU A 61 -23.223 -13.987 -18.603 1.00 70.44 O ATOM 966 CB LEU A 61 -22.374 -15.684 -15.988 1.00 21.35 C ATOM 967 CG LEU A 61 -20.960 -15.177 -16.306 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.627 -15.334 -17.782 1.00 14.42 C ATOM 969 CD2 LEU A 61 -20.803 -13.727 -15.876 1.00 52.20 C ATOM 0 H LEU A 61 -24.800 -16.155 -15.425 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.279 -13.727 -16.067 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.425 -15.901 -14.921 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -22.522 -16.628 -16.512 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.256 -15.788 -15.741 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.619 -14.965 -17.969 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.685 -16.387 -18.058 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.339 -14.763 -18.378 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -19.795 -13.385 -16.109 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -21.527 -13.110 -16.407 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -20.974 -13.645 -14.803 1.00 52.20 H new ATOM 981 N ASP A 62 -24.768 -15.596 -18.262 1.00 51.31 N ATOM 982 CA ASP A 62 -25.020 -15.855 -19.680 1.00 11.45 C ATOM 983 C ASP A 62 -23.748 -16.353 -20.342 1.00 35.13 C ATOM 984 O ASP A 62 -23.113 -15.644 -21.126 1.00 45.22 O ATOM 985 CB ASP A 62 -25.552 -14.618 -20.412 1.00 14.42 C ATOM 986 CG ASP A 62 -27.013 -14.347 -20.122 1.00 30.25 C ATOM 987 OD1 ASP A 62 -27.878 -15.056 -20.685 1.00 64.21 O ATOM 988 OD2 ASP A 62 -27.308 -13.416 -19.350 1.00 3.33 O ATOM 0 H ASP A 62 -25.378 -16.114 -17.630 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.793 -16.620 -19.745 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -24.962 -13.749 -20.123 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -25.418 -14.751 -21.486 1.00 14.42 H new ATOM 993 N GLY A 63 -23.361 -17.568 -19.994 1.00 4.15 N ATOM 994 CA GLY A 63 -22.121 -18.116 -20.491 1.00 43.43 C ATOM 995 C GLY A 63 -22.334 -19.163 -21.562 1.00 33.13 C ATOM 996 O GLY A 63 -23.381 -19.205 -22.212 1.00 43.24 O ATOM 0 H GLY A 63 -23.886 -18.186 -19.374 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -21.508 -17.310 -20.893 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.565 -18.557 -19.663 1.00 43.43 H new ATOM 1000 N LEU A 64 -21.339 -20.016 -21.730 1.00 51.34 N ATOM 1001 CA LEU A 64 -21.362 -21.053 -22.748 1.00 3.45 C ATOM 1002 C LEU A 64 -20.557 -22.249 -22.262 1.00 42.35 C ATOM 1003 O LEU A 64 -20.259 -22.347 -21.070 1.00 0.34 O ATOM 1004 CB LEU A 64 -20.787 -20.533 -24.081 1.00 54.54 C ATOM 1005 CG LEU A 64 -19.314 -20.096 -24.059 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -18.745 -20.080 -25.467 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -19.161 -18.718 -23.425 1.00 63.23 C ATOM 0 H LEU A 64 -20.491 -20.010 -21.164 1.00 51.34 H new ATOM 0 HA LEU A 64 -22.396 -21.351 -22.923 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -20.901 -21.315 -24.832 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -21.391 -19.686 -24.408 1.00 54.54 H new ATOM 0 HG LEU A 64 -18.761 -20.817 -23.457 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -17.701 -19.768 -25.434 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -18.812 -21.079 -25.898 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -19.313 -19.381 -26.081 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -18.109 -18.434 -23.422 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -19.733 -17.988 -23.998 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -19.532 -18.746 -22.400 1.00 63.23 H new ATOM 1019 N ASN A 65 -20.211 -23.149 -23.173 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.405 -24.319 -22.836 1.00 60.20 C ATOM 1021 C ASN A 65 -17.964 -23.923 -22.510 1.00 64.31 C ATOM 1022 O ASN A 65 -17.074 -23.969 -23.359 1.00 34.35 O ATOM 1023 CB ASN A 65 -19.452 -25.364 -23.966 1.00 11.43 C ATOM 1024 CG ASN A 65 -19.248 -24.772 -25.354 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -18.125 -24.683 -25.851 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -20.340 -24.379 -25.997 1.00 54.41 N ATOM 0 H ASN A 65 -20.477 -23.092 -24.156 1.00 64.21 H new ATOM 0 HA ASN A 65 -19.833 -24.773 -21.942 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -18.685 -26.117 -23.785 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -20.414 -25.876 -23.936 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -20.266 -23.987 -26.936 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -21.254 -24.469 -25.552 1.00 54.41 H new ATOM 1033 N ILE A 66 -17.748 -23.512 -21.270 1.00 12.30 N ATOM 1034 CA ILE A 66 -16.434 -23.095 -20.812 1.00 41.44 C ATOM 1035 C ILE A 66 -15.804 -24.169 -19.930 1.00 2.50 C ATOM 1036 O ILE A 66 -16.412 -25.206 -19.671 1.00 31.11 O ATOM 1037 CB ILE A 66 -16.506 -21.765 -20.028 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -17.475 -21.898 -18.848 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -16.926 -20.626 -20.949 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -17.554 -20.660 -17.979 1.00 65.41 C ATOM 0 H ILE A 66 -18.475 -23.459 -20.557 1.00 12.30 H new ATOM 0 HA ILE A 66 -15.815 -22.945 -21.697 1.00 41.44 H new ATOM 0 HB ILE A 66 -15.516 -21.535 -19.635 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -18.470 -22.126 -19.231 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -17.169 -22.744 -18.232 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -16.972 -19.697 -20.381 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -16.200 -20.523 -21.755 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -17.908 -20.842 -21.371 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -18.259 -20.831 -17.166 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -16.569 -20.442 -17.565 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -17.890 -19.815 -18.580 1.00 65.41 H new ATOM 1052 N HIS A 67 -14.577 -23.922 -19.489 1.00 15.31 N ATOM 1053 CA HIS A 67 -13.884 -24.850 -18.605 1.00 41.12 C ATOM 1054 C HIS A 67 -13.205 -24.098 -17.457 1.00 13.15 C ATOM 1055 O HIS A 67 -12.734 -24.705 -16.496 1.00 11.25 O ATOM 1056 CB HIS A 67 -12.850 -25.660 -19.399 1.00 61.24 C ATOM 1057 CG HIS A 67 -12.191 -26.750 -18.605 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -10.952 -26.613 -18.020 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -12.616 -27.995 -18.290 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -10.643 -27.725 -17.385 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -11.635 -28.582 -17.530 1.00 5.34 N ATOM 0 H HIS A 67 -14.042 -23.088 -19.729 1.00 15.31 H new ATOM 0 HA HIS A 67 -14.616 -25.535 -18.178 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.338 -26.101 -20.268 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -12.083 -24.983 -19.774 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -13.554 -28.444 -18.582 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -9.730 -27.905 -16.837 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -11.668 -29.525 -17.142 1.00 5.34 H new ATOM 1070 N ALA A 68 -13.168 -22.777 -17.556 1.00 1.04 N ATOM 1071 CA ALA A 68 -12.494 -21.958 -16.556 1.00 21.21 C ATOM 1072 C ALA A 68 -13.405 -21.696 -15.362 1.00 64.03 C ATOM 1073 O ALA A 68 -14.628 -21.645 -15.500 1.00 11.40 O ATOM 1074 CB ALA A 68 -12.033 -20.645 -17.169 1.00 11.23 C ATOM 0 H ALA A 68 -13.596 -22.249 -18.317 1.00 1.04 H new ATOM 0 HA ALA A 68 -11.620 -22.505 -16.203 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -11.532 -20.045 -16.409 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -11.341 -20.848 -17.986 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -12.896 -20.099 -17.551 1.00 11.23 H new ATOM 1080 N ILE A 69 -12.805 -21.540 -14.191 1.00 52.42 N ATOM 1081 CA ILE A 69 -13.559 -21.260 -12.977 1.00 0.05 C ATOM 1082 C ILE A 69 -13.309 -19.825 -12.521 1.00 34.51 C ATOM 1083 O ILE A 69 -12.309 -19.533 -11.862 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.192 -22.236 -11.835 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -13.372 -23.686 -12.296 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -14.048 -21.958 -10.605 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -12.946 -24.713 -11.266 1.00 43.35 C ATOM 0 H ILE A 69 -11.796 -21.603 -14.055 1.00 52.42 H new ATOM 0 HA ILE A 69 -14.615 -21.394 -13.211 1.00 0.05 H new ATOM 0 HB ILE A 69 -12.146 -22.084 -11.570 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -14.420 -23.850 -12.547 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -12.797 -23.841 -13.209 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -13.778 -22.653 -9.810 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -13.878 -20.936 -10.267 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -15.101 -22.086 -10.858 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -13.103 -25.715 -11.665 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -11.890 -24.577 -11.032 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -13.538 -24.586 -10.360 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.199 -18.926 -12.912 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.079 -17.525 -12.529 1.00 45.13 C ATOM 1101 C GLN A 70 -15.108 -17.160 -11.463 1.00 54.23 C ATOM 1102 O GLN A 70 -15.009 -16.117 -10.818 1.00 20.23 O ATOM 1103 CB GLN A 70 -14.239 -16.601 -13.748 1.00 3.32 C ATOM 1104 CG GLN A 70 -15.636 -16.594 -14.373 1.00 45.50 C ATOM 1105 CD GLN A 70 -15.992 -17.892 -15.079 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -15.126 -18.584 -15.607 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -17.274 -18.233 -15.090 1.00 43.43 N ATOM 0 H GLN A 70 -15.010 -19.139 -13.492 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.081 -17.384 -12.115 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -13.985 -15.584 -13.450 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -13.518 -16.900 -14.509 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -16.373 -16.400 -13.594 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.702 -15.772 -15.086 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -17.965 -17.633 -14.641 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -17.568 -19.096 -15.548 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.090 -18.029 -11.271 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.180 -17.750 -10.350 1.00 32.34 C ATOM 1118 C ILE A 71 -17.245 -18.795 -9.240 1.00 21.45 C ATOM 1119 O ILE A 71 -17.057 -19.987 -9.478 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.536 -17.666 -11.086 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.664 -17.326 -10.099 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.829 -18.963 -11.826 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.987 -17.008 -10.764 1.00 61.50 C ATOM 0 H ILE A 71 -16.154 -18.932 -11.741 1.00 33.52 H new ATOM 0 HA ILE A 71 -16.979 -16.779 -9.898 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.479 -16.866 -11.824 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -19.803 -18.166 -9.419 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.359 -16.473 -9.494 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.788 -18.882 -12.337 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.043 -19.150 -12.558 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.866 -19.788 -11.114 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.732 -16.779 -10.002 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.866 -16.148 -11.423 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.317 -17.868 -11.347 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.494 -18.326 -8.026 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.635 -19.196 -6.871 1.00 11.31 C ATOM 1137 C GLN A 72 -18.871 -18.771 -6.087 1.00 41.51 C ATOM 1138 O GLN A 72 -19.225 -17.599 -6.088 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.379 -19.120 -5.989 1.00 73.05 C ATOM 1140 CG GLN A 72 -16.437 -19.959 -4.715 1.00 75.12 C ATOM 1141 CD GLN A 72 -16.539 -21.454 -4.975 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -17.105 -21.894 -5.974 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -15.996 -22.246 -4.065 1.00 23.21 N ATOM 0 H GLN A 72 -17.603 -17.334 -7.816 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.750 -20.229 -7.198 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -15.519 -19.439 -6.578 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.208 -18.079 -5.714 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.546 -19.762 -4.119 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -17.294 -19.643 -4.120 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -15.535 -21.844 -3.249 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -16.039 -23.259 -4.179 1.00 23.21 H new ATOM 1152 N THR A 73 -19.534 -19.707 -5.433 1.00 51.10 N ATOM 1153 CA THR A 73 -20.744 -19.379 -4.696 1.00 71.51 C ATOM 1154 C THR A 73 -20.607 -19.719 -3.215 1.00 31.34 C ATOM 1155 O THR A 73 -20.000 -20.727 -2.846 1.00 0.24 O ATOM 1156 CB THR A 73 -21.968 -20.108 -5.283 1.00 1.24 C ATOM 1157 OG1 THR A 73 -21.652 -21.488 -5.517 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.415 -19.455 -6.583 1.00 60.22 C ATOM 0 H THR A 73 -19.261 -20.689 -5.396 1.00 51.10 H new ATOM 0 HA THR A 73 -20.893 -18.304 -4.793 1.00 71.51 H new ATOM 0 HB THR A 73 -22.784 -20.041 -4.563 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.188 -22.052 -4.921 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.280 -19.987 -6.979 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.683 -18.415 -6.395 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.602 -19.494 -7.308 1.00 60.22 H new ATOM 1166 N GLY A 74 -21.160 -18.860 -2.372 1.00 12.20 N ATOM 1167 CA GLY A 74 -21.155 -19.108 -0.946 1.00 10.41 C ATOM 1168 C GLY A 74 -22.340 -19.948 -0.533 1.00 15.25 C ATOM 1169 O GLY A 74 -23.364 -19.425 -0.094 1.00 44.31 O ATOM 0 H GLY A 74 -21.614 -17.991 -2.652 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -20.232 -19.615 -0.666 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -21.174 -18.159 -0.409 1.00 10.41 H new ATOM 1173 N CYS A 75 -22.207 -21.253 -0.698 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.298 -22.168 -0.423 1.00 31.41 C ATOM 1175 C CYS A 75 -22.944 -23.112 0.720 1.00 22.14 C ATOM 1176 O CYS A 75 -21.833 -23.644 0.770 1.00 42.21 O ATOM 1177 CB CYS A 75 -23.628 -22.966 -1.682 1.00 54.21 C ATOM 1178 SG CYS A 75 -23.917 -21.940 -3.143 1.00 1.04 S ATOM 0 H CYS A 75 -21.351 -21.702 -1.022 1.00 41.31 H new ATOM 0 HA CYS A 75 -24.170 -21.588 -0.123 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -22.809 -23.654 -1.889 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -24.514 -23.572 -1.494 1.00 54.21 H new ATOM 0 HG CYS A 75 -23.785 -20.686 -2.826 1.00 1.04 H new ATOM 1184 N LYS A 76 -23.906 -23.311 1.623 1.00 72.44 N ATOM 1185 CA LYS A 76 -23.751 -24.188 2.788 1.00 24.13 C ATOM 1186 C LYS A 76 -22.661 -23.658 3.717 1.00 65.44 C ATOM 1187 O LYS A 76 -22.989 -22.859 4.618 1.00 51.21 O ATOM 1188 CB LYS A 76 -23.438 -25.636 2.378 1.00 54.32 C ATOM 1189 CG LYS A 76 -24.324 -26.186 1.264 1.00 62.33 C ATOM 1190 CD LYS A 76 -25.817 -26.048 1.557 1.00 31.01 C ATOM 1191 CE LYS A 76 -26.321 -27.047 2.596 1.00 51.33 C ATOM 1192 NZ LYS A 76 -25.943 -26.674 3.985 1.00 72.41 N ATOM 1193 OXT LYS A 76 -21.483 -24.026 3.540 1.00 0.00 O ATOM 0 H LYS A 76 -24.822 -22.865 1.567 1.00 72.44 H new ATOM 0 HA LYS A 76 -24.703 -24.192 3.319 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -22.398 -25.692 2.058 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -23.538 -26.277 3.254 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -24.093 -25.665 0.335 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -24.087 -27.238 1.107 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -26.020 -25.036 1.907 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -26.376 -26.183 0.631 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -27.406 -27.120 2.527 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -25.920 -28.035 2.368 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -26.665 -27.023 4.647 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -25.023 -27.099 4.220 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -25.876 -25.639 4.060 1.00 72.41 H new TER 1207 LYS A 76