USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 779 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 70 ASN : amide:sc= 0.0283 K(o=-4.5,f=-5.7) USER MOD Set 1.2: A 72 ASN : amide:sc= -4.58! C(o=-4.5!,f=-9.5!) USER MOD Set 2.1: A 58 TYR OH : rot -132:sc= 2.25 USER MOD Set 2.2: A 87 LYS NZ :NH3+ 156:sc= 2.28 (180deg=-0.368) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 157:sc= 1.76 (180deg=1.06) USER MOD Set 3.2: A 56 GLN : amide:sc= 0.45 K(o=2.2,f=-0.45) USER MOD Set 4.1: A 36 THR OG1 : rot -171:sc= 0.98 USER MOD Set 4.2: A 38 SER OG : rot 180:sc= 0.0083 USER MOD Set 4.3: A 39 SER OG : rot 100:sc= 1.06 USER MOD Set 5.1: A 8 HIS : no HD1:sc= 0.704 K(o=1.5,f=-0.22) USER MOD Set 5.2: A 9 SER OG : rot 61:sc= 0.811 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00253 (180deg=-0.155) USER MOD Single : A 3 HIS : no HD1:sc= -0.078 X(o=-0.078,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 7 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= -0.0569 (180deg=-0.341) USER MOD Single : A 17 HIS : +bothHN:sc= -0.0726! C(o=-0.073!,f=-6.6!) USER MOD Single : A 19 THR OG1 : rot 82:sc= 0.444 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.968) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 50 THR OG1 : rot 176:sc= 0.103 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 55 MET CE :methyl 169:sc= -1.15 (180deg=-1.41) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -120:sc= -1.74! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.225 USER MOD Single : A 80 SER OG : rot -107:sc= 1.03 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= -0.0168 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.758 20.134 2.365 1.00 0.00 N ATOM 2 CA MET A 1 -12.765 20.501 3.384 1.00 0.00 C ATOM 3 C MET A 1 -13.864 19.454 3.420 1.00 0.00 C ATOM 4 O MET A 1 -14.292 18.962 2.374 1.00 0.00 O ATOM 5 CB MET A 1 -13.378 21.869 3.071 1.00 0.00 C ATOM 6 CG MET A 1 -12.378 23.014 3.063 1.00 0.00 C ATOM 7 SD MET A 1 -11.628 23.297 4.677 1.00 0.00 S ATOM 8 CE MET A 1 -10.596 24.717 4.326 1.00 0.00 C ATOM 0 H1 MET A 1 -10.928 20.754 2.458 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.468 19.145 2.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.168 20.245 1.416 1.00 0.00 H new ATOM 0 HA MET A 1 -12.271 20.551 4.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.866 21.821 2.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.153 22.084 3.806 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.595 22.801 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.878 23.925 2.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.065 25.013 5.231 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.875 24.460 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.219 25.544 3.984 1.00 0.00 H new ATOM 20 N GLY A 2 -14.315 19.113 4.617 1.00 0.00 N ATOM 21 CA GLY A 2 -15.356 18.122 4.760 1.00 0.00 C ATOM 22 C GLY A 2 -16.070 18.234 6.086 1.00 0.00 C ATOM 23 O GLY A 2 -15.590 17.726 7.101 1.00 0.00 O ATOM 0 H GLY A 2 -13.976 19.508 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.077 18.235 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.923 17.126 4.665 1.00 0.00 H new ATOM 27 N HIS A 3 -17.209 18.914 6.084 1.00 0.00 N ATOM 28 CA HIS A 3 -18.021 19.052 7.284 1.00 0.00 C ATOM 29 C HIS A 3 -18.536 17.686 7.716 1.00 0.00 C ATOM 30 O HIS A 3 -19.382 17.094 7.046 1.00 0.00 O ATOM 31 CB HIS A 3 -19.194 20.011 7.037 1.00 0.00 C ATOM 32 CG HIS A 3 -20.025 20.288 8.254 1.00 0.00 C ATOM 33 ND1 HIS A 3 -19.914 21.444 8.991 1.00 0.00 N ATOM 34 CD2 HIS A 3 -20.988 19.551 8.857 1.00 0.00 C ATOM 35 CE1 HIS A 3 -20.766 21.406 9.996 1.00 0.00 C ATOM 36 NE2 HIS A 3 -21.430 20.269 9.938 1.00 0.00 N ATOM 0 H HIS A 3 -17.592 19.380 5.261 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.403 19.469 8.080 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.804 20.954 6.654 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.834 19.592 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.342 18.579 8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.898 22.177 10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -22.155 19.972 10.591 1.00 0.00 H new ATOM 45 N HIS A 4 -18.019 17.196 8.831 1.00 0.00 N ATOM 46 CA HIS A 4 -18.381 15.878 9.324 1.00 0.00 C ATOM 47 C HIS A 4 -19.834 15.859 9.768 1.00 0.00 C ATOM 48 O HIS A 4 -20.246 16.636 10.631 1.00 0.00 O ATOM 49 CB HIS A 4 -17.464 15.453 10.471 1.00 0.00 C ATOM 50 CG HIS A 4 -16.060 15.162 10.035 1.00 0.00 C ATOM 51 ND1 HIS A 4 -15.611 13.891 9.759 1.00 0.00 N ATOM 52 CD2 HIS A 4 -15.008 15.985 9.817 1.00 0.00 C ATOM 53 CE1 HIS A 4 -14.347 13.943 9.390 1.00 0.00 C ATOM 54 NE2 HIS A 4 -13.956 15.202 9.415 1.00 0.00 N ATOM 0 H HIS A 4 -17.345 17.693 9.413 1.00 0.00 H new ATOM 0 HA HIS A 4 -18.257 15.164 8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.447 16.241 11.223 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.879 14.566 10.949 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.999 17.058 9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.735 13.097 9.114 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.024 15.539 9.175 1.00 0.00 H new ATOM 63 N HIS A 5 -20.605 14.972 9.164 1.00 0.00 N ATOM 64 CA HIS A 5 -22.026 14.871 9.446 1.00 0.00 C ATOM 65 C HIS A 5 -22.255 14.001 10.668 1.00 0.00 C ATOM 66 O HIS A 5 -23.234 14.179 11.390 1.00 0.00 O ATOM 67 CB HIS A 5 -22.774 14.279 8.250 1.00 0.00 C ATOM 68 CG HIS A 5 -22.709 15.114 7.008 1.00 0.00 C ATOM 69 ND1 HIS A 5 -23.623 16.104 6.718 1.00 0.00 N ATOM 70 CD2 HIS A 5 -21.838 15.093 5.970 1.00 0.00 C ATOM 71 CE1 HIS A 5 -23.318 16.655 5.556 1.00 0.00 C ATOM 72 NE2 HIS A 5 -22.238 16.060 5.085 1.00 0.00 N ATOM 0 H HIS A 5 -20.267 14.306 8.469 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.407 15.874 9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -22.365 13.292 8.032 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.819 14.137 8.524 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.987 14.437 5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -23.860 17.455 5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -21.775 16.284 4.204 1.00 0.00 H new ATOM 81 N HIS A 6 -21.352 13.039 10.870 1.00 0.00 N ATOM 82 CA HIS A 6 -21.417 12.117 12.008 1.00 0.00 C ATOM 83 C HIS A 6 -22.710 11.295 11.962 1.00 0.00 C ATOM 84 O HIS A 6 -23.144 10.722 12.962 1.00 0.00 O ATOM 85 CB HIS A 6 -21.304 12.890 13.331 1.00 0.00 C ATOM 86 CG HIS A 6 -21.033 12.022 14.522 1.00 0.00 C ATOM 87 ND1 HIS A 6 -21.850 11.988 15.630 1.00 0.00 N ATOM 88 CD2 HIS A 6 -20.021 11.159 14.778 1.00 0.00 C ATOM 89 CE1 HIS A 6 -21.354 11.145 16.515 1.00 0.00 C ATOM 90 NE2 HIS A 6 -20.244 10.628 16.023 1.00 0.00 N ATOM 0 H HIS A 6 -20.557 12.877 10.252 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.576 11.427 11.944 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -20.506 13.627 13.242 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.230 13.441 13.499 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.193 10.931 14.124 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.784 10.917 17.479 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.649 9.945 16.492 1.00 0.00 H new ATOM 99 N HIS A 7 -23.306 11.220 10.783 1.00 0.00 N ATOM 100 CA HIS A 7 -24.555 10.499 10.600 1.00 0.00 C ATOM 101 C HIS A 7 -24.289 9.037 10.282 1.00 0.00 C ATOM 102 O HIS A 7 -23.672 8.711 9.265 1.00 0.00 O ATOM 103 CB HIS A 7 -25.386 11.136 9.487 1.00 0.00 C ATOM 104 CG HIS A 7 -26.231 12.289 9.931 1.00 0.00 C ATOM 105 ND1 HIS A 7 -25.734 13.396 10.590 1.00 0.00 N ATOM 106 CD2 HIS A 7 -27.559 12.502 9.801 1.00 0.00 C ATOM 107 CE1 HIS A 7 -26.722 14.235 10.839 1.00 0.00 C ATOM 108 NE2 HIS A 7 -27.839 13.717 10.369 1.00 0.00 N ATOM 0 H HIS A 7 -22.942 11.652 9.934 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.118 10.556 11.532 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -24.715 11.475 8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -26.032 10.374 9.051 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -24.757 13.542 10.844 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -28.270 11.836 9.335 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -26.631 15.186 11.343 1.00 0.00 H new ATOM 117 N HIS A 8 -24.754 8.167 11.162 1.00 0.00 N ATOM 118 CA HIS A 8 -24.587 6.732 10.997 1.00 0.00 C ATOM 119 C HIS A 8 -25.647 6.195 10.040 1.00 0.00 C ATOM 120 O HIS A 8 -26.755 6.732 9.986 1.00 0.00 O ATOM 121 CB HIS A 8 -24.695 6.039 12.359 1.00 0.00 C ATOM 122 CG HIS A 8 -24.340 4.584 12.344 1.00 0.00 C ATOM 123 ND1 HIS A 8 -25.280 3.580 12.362 1.00 0.00 N ATOM 124 CD2 HIS A 8 -23.134 3.966 12.335 1.00 0.00 C ATOM 125 CE1 HIS A 8 -24.671 2.410 12.367 1.00 0.00 C ATOM 126 NE2 HIS A 8 -23.367 2.615 12.350 1.00 0.00 N ATOM 0 H HIS A 8 -25.257 8.434 12.009 1.00 0.00 H new ATOM 0 HA HIS A 8 -23.602 6.528 10.577 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -24.043 6.552 13.066 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -25.715 6.148 12.728 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -22.168 4.449 12.319 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -25.158 1.446 12.382 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -22.651 1.888 12.348 1.00 0.00 H new ATOM 135 N SER A 9 -25.291 5.150 9.282 1.00 0.00 N ATOM 136 CA SER A 9 -26.200 4.519 8.326 1.00 0.00 C ATOM 137 C SER A 9 -26.621 5.503 7.238 1.00 0.00 C ATOM 138 O SER A 9 -27.555 6.286 7.418 1.00 0.00 O ATOM 139 CB SER A 9 -27.428 3.947 9.046 1.00 0.00 C ATOM 140 OG SER A 9 -27.046 2.977 10.012 1.00 0.00 O ATOM 0 H SER A 9 -24.366 4.721 9.316 1.00 0.00 H new ATOM 0 HA SER A 9 -25.669 3.697 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.977 4.753 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.103 3.495 8.319 1.00 0.00 H new ATOM 0 HG SER A 9 -26.469 3.395 10.685 1.00 0.00 H new ATOM 146 N HIS A 10 -25.923 5.473 6.112 1.00 0.00 N ATOM 147 CA HIS A 10 -26.182 6.429 5.048 1.00 0.00 C ATOM 148 C HIS A 10 -25.775 5.858 3.696 1.00 0.00 C ATOM 149 O HIS A 10 -26.581 5.783 2.768 1.00 0.00 O ATOM 150 CB HIS A 10 -25.414 7.723 5.323 1.00 0.00 C ATOM 151 CG HIS A 10 -26.103 8.950 4.818 1.00 0.00 C ATOM 152 ND1 HIS A 10 -26.830 9.785 5.635 1.00 0.00 N ATOM 153 CD2 HIS A 10 -26.167 9.493 3.579 1.00 0.00 C ATOM 154 CE1 HIS A 10 -27.310 10.784 4.926 1.00 0.00 C ATOM 155 NE2 HIS A 10 -26.924 10.634 3.673 1.00 0.00 N ATOM 0 H HIS A 10 -25.180 4.803 5.913 1.00 0.00 H new ATOM 0 HA HIS A 10 -27.251 6.640 5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.258 7.821 6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -24.428 7.655 4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.708 9.101 2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -27.918 11.592 5.306 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -27.151 11.262 2.902 1.00 0.00 H new ATOM 164 N ALA A 11 -24.520 5.449 3.595 1.00 0.00 N ATOM 165 CA ALA A 11 -23.983 4.930 2.351 1.00 0.00 C ATOM 166 C ALA A 11 -22.743 4.094 2.621 1.00 0.00 C ATOM 167 O ALA A 11 -22.335 3.932 3.775 1.00 0.00 O ATOM 168 CB ALA A 11 -23.655 6.071 1.398 1.00 0.00 C ATOM 0 H ALA A 11 -23.852 5.468 4.366 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.737 4.295 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -23.253 5.665 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -24.561 6.638 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.916 6.727 1.857 1.00 0.00 H new ATOM 174 N ALA A 12 -22.154 3.568 1.560 1.00 0.00 N ATOM 175 CA ALA A 12 -20.935 2.783 1.666 1.00 0.00 C ATOM 176 C ALA A 12 -19.745 3.598 1.180 1.00 0.00 C ATOM 177 O ALA A 12 -19.886 4.444 0.292 1.00 0.00 O ATOM 178 CB ALA A 12 -21.064 1.491 0.870 1.00 0.00 C ATOM 0 H ALA A 12 -22.504 3.672 0.608 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.773 2.523 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -20.143 0.915 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -21.897 0.906 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.244 1.726 -0.179 1.00 0.00 H new ATOM 184 N VAL A 13 -18.583 3.343 1.765 1.00 0.00 N ATOM 185 CA VAL A 13 -17.375 4.094 1.446 1.00 0.00 C ATOM 186 C VAL A 13 -16.840 3.750 0.056 1.00 0.00 C ATOM 187 O VAL A 13 -17.252 2.764 -0.562 1.00 0.00 O ATOM 188 CB VAL A 13 -16.264 3.843 2.491 1.00 0.00 C ATOM 189 CG1 VAL A 13 -16.709 4.310 3.868 1.00 0.00 C ATOM 190 CG2 VAL A 13 -15.872 2.369 2.525 1.00 0.00 C ATOM 0 H VAL A 13 -18.450 2.616 2.468 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.655 5.147 1.463 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.387 4.420 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.913 4.125 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.929 5.377 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.604 3.763 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.089 2.218 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.742 1.767 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.505 2.067 1.544 1.00 0.00 H new ATOM 200 N ARG A 14 -15.909 4.569 -0.419 1.00 0.00 N ATOM 201 CA ARG A 14 -15.276 4.352 -1.703 1.00 0.00 C ATOM 202 C ARG A 14 -13.937 3.688 -1.483 1.00 0.00 C ATOM 203 O ARG A 14 -13.207 4.052 -0.552 1.00 0.00 O ATOM 204 CB ARG A 14 -15.045 5.669 -2.444 1.00 0.00 C ATOM 205 CG ARG A 14 -16.301 6.467 -2.722 1.00 0.00 C ATOM 206 CD ARG A 14 -16.141 7.300 -3.981 1.00 0.00 C ATOM 207 NE ARG A 14 -14.910 8.101 -3.975 1.00 0.00 N ATOM 208 CZ ARG A 14 -14.833 9.370 -4.388 1.00 0.00 C ATOM 209 NH1 ARG A 14 -15.914 10.010 -4.816 1.00 0.00 N ATOM 210 NH2 ARG A 14 -13.660 9.993 -4.378 1.00 0.00 N ATOM 0 H ARG A 14 -15.577 5.396 0.076 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.934 3.725 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.362 6.285 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.550 5.455 -3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.150 5.792 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.519 7.118 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.138 6.642 -4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.001 7.962 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.057 7.659 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.816 9.534 -4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.843 10.978 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.825 9.503 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.594 10.961 -4.692 1.00 0.00 H new ATOM 224 N LYS A 15 -13.617 2.715 -2.308 1.00 0.00 N ATOM 225 CA LYS A 15 -12.288 2.142 -2.282 1.00 0.00 C ATOM 226 C LYS A 15 -11.316 3.189 -2.789 1.00 0.00 C ATOM 227 O LYS A 15 -11.519 3.772 -3.857 1.00 0.00 O ATOM 228 CB LYS A 15 -12.185 0.869 -3.130 1.00 0.00 C ATOM 229 CG LYS A 15 -12.997 -0.315 -2.609 1.00 0.00 C ATOM 230 CD LYS A 15 -14.494 -0.130 -2.827 1.00 0.00 C ATOM 231 CE LYS A 15 -15.287 -1.358 -2.395 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.891 -2.573 -3.154 1.00 0.00 N ATOM 0 H LYS A 15 -14.249 2.308 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.051 1.852 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.512 1.098 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.137 0.574 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.669 -1.226 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.801 -0.447 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.838 0.740 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.685 0.073 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.135 -1.531 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.351 -1.171 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.743 -3.069 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.312 -2.297 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.340 -3.203 -2.537 1.00 0.00 H new ATOM 246 N ILE A 16 -10.276 3.435 -2.023 1.00 0.00 N ATOM 247 CA ILE A 16 -9.405 4.559 -2.284 1.00 0.00 C ATOM 248 C ILE A 16 -8.362 4.225 -3.332 1.00 0.00 C ATOM 249 O ILE A 16 -7.867 3.100 -3.417 1.00 0.00 O ATOM 250 CB ILE A 16 -8.723 5.081 -1.001 1.00 0.00 C ATOM 251 CG1 ILE A 16 -7.931 3.974 -0.302 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.763 5.671 -0.059 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.220 4.446 0.948 1.00 0.00 C ATOM 0 H ILE A 16 -10.013 2.872 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.041 5.355 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.018 5.863 -1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.609 3.161 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.197 3.567 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.272 6.036 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.275 6.497 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.489 4.903 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.678 3.613 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.518 5.239 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.951 4.827 1.661 1.00 0.00 H new ATOM 265 N HIS A 17 -8.057 5.218 -4.144 1.00 0.00 N ATOM 266 CA HIS A 17 -7.092 5.077 -5.210 1.00 0.00 C ATOM 267 C HIS A 17 -5.702 5.389 -4.689 1.00 0.00 C ATOM 268 O HIS A 17 -5.331 6.553 -4.551 1.00 0.00 O ATOM 269 CB HIS A 17 -7.451 6.010 -6.372 1.00 0.00 C ATOM 270 CG HIS A 17 -8.753 5.668 -7.029 1.00 0.00 C ATOM 271 ND1 HIS A 17 -9.899 6.434 -6.913 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.082 4.623 -7.816 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.869 5.867 -7.608 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.399 4.768 -8.165 1.00 0.00 N ATOM 0 H HIS A 17 -8.474 6.147 -4.081 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.108 4.050 -5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.496 7.035 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.656 5.973 -7.117 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -9.982 7.298 -6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.427 3.819 -8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.878 6.241 -7.704 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.929 4.130 -8.759 1.00 0.00 H new ATOM 283 N VAL A 18 -4.955 4.351 -4.360 1.00 0.00 N ATOM 284 CA VAL A 18 -3.606 4.524 -3.860 1.00 0.00 C ATOM 285 C VAL A 18 -2.604 4.457 -5.002 1.00 0.00 C ATOM 286 O VAL A 18 -2.663 3.561 -5.850 1.00 0.00 O ATOM 287 CB VAL A 18 -3.240 3.472 -2.794 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.160 3.587 -1.586 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.289 2.072 -3.386 1.00 0.00 C ATOM 0 H VAL A 18 -5.260 3.380 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.566 5.507 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.220 3.662 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.884 2.836 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.063 4.580 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.192 3.427 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.028 1.343 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.295 1.867 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.580 2.001 -4.211 1.00 0.00 H new ATOM 299 N THR A 19 -1.708 5.418 -5.040 1.00 0.00 N ATOM 300 CA THR A 19 -0.676 5.440 -6.049 1.00 0.00 C ATOM 301 C THR A 19 0.507 4.592 -5.598 1.00 0.00 C ATOM 302 O THR A 19 1.216 4.955 -4.659 1.00 0.00 O ATOM 303 CB THR A 19 -0.206 6.875 -6.314 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.341 7.735 -6.487 1.00 0.00 O ATOM 305 CG2 THR A 19 0.673 6.938 -7.550 1.00 0.00 C ATOM 0 H THR A 19 -1.674 6.196 -4.381 1.00 0.00 H new ATOM 0 HA THR A 19 -1.089 5.031 -6.971 1.00 0.00 H new ATOM 0 HB THR A 19 0.378 7.207 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.690 7.997 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.993 7.966 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.548 6.304 -7.407 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.110 6.589 -8.415 1.00 0.00 H new ATOM 313 N VAL A 20 0.706 3.464 -6.258 1.00 0.00 N ATOM 314 CA VAL A 20 1.790 2.563 -5.919 1.00 0.00 C ATOM 315 C VAL A 20 3.024 2.908 -6.736 1.00 0.00 C ATOM 316 O VAL A 20 3.068 2.686 -7.950 1.00 0.00 O ATOM 317 CB VAL A 20 1.399 1.089 -6.159 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.535 0.158 -5.767 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.135 0.748 -5.388 1.00 0.00 C ATOM 0 H VAL A 20 0.126 3.150 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 20 2.006 2.685 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 20 1.204 0.953 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.237 -0.875 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.417 0.389 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.767 0.292 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.130 -0.294 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.306 0.902 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.679 1.391 -5.722 1.00 0.00 H new ATOM 329 N LYS A 21 4.011 3.478 -6.069 1.00 0.00 N ATOM 330 CA LYS A 21 5.225 3.914 -6.732 1.00 0.00 C ATOM 331 C LYS A 21 6.342 2.897 -6.566 1.00 0.00 C ATOM 332 O LYS A 21 6.940 2.784 -5.498 1.00 0.00 O ATOM 333 CB LYS A 21 5.681 5.265 -6.181 1.00 0.00 C ATOM 334 CG LYS A 21 4.702 6.400 -6.442 1.00 0.00 C ATOM 335 CD LYS A 21 5.298 7.744 -6.051 1.00 0.00 C ATOM 336 CE LYS A 21 6.477 8.110 -6.939 1.00 0.00 C ATOM 337 NZ LYS A 21 7.122 9.377 -6.505 1.00 0.00 N ATOM 0 H LYS A 21 3.995 3.650 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 21 5.000 4.013 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.838 5.174 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.644 5.520 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.430 6.413 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.785 6.229 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.533 8.517 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.621 7.711 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.210 7.304 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.138 8.209 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.921 9.593 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.429 10.151 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.468 9.274 -5.530 1.00 0.00 H new ATOM 351 N PHE A 22 6.611 2.156 -7.622 1.00 0.00 N ATOM 352 CA PHE A 22 7.739 1.243 -7.649 1.00 0.00 C ATOM 353 C PHE A 22 8.932 1.925 -8.300 1.00 0.00 C ATOM 354 O PHE A 22 8.765 2.868 -9.076 1.00 0.00 O ATOM 355 CB PHE A 22 7.395 -0.028 -8.431 1.00 0.00 C ATOM 356 CG PHE A 22 6.936 -1.166 -7.575 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.609 -1.290 -7.211 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.841 -2.120 -7.140 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.193 -2.345 -6.426 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.431 -3.176 -6.355 1.00 0.00 C ATOM 361 CZ PHE A 22 6.104 -3.290 -5.997 1.00 0.00 C ATOM 0 H PHE A 22 6.060 2.168 -8.480 1.00 0.00 H new ATOM 0 HA PHE A 22 7.981 0.967 -6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.615 0.204 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.272 -0.343 -8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.891 -0.555 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.881 -2.035 -7.419 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.153 -2.432 -6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.147 -3.912 -6.021 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.778 -4.116 -5.383 1.00 0.00 H new ATOM 371 N PRO A 23 10.151 1.463 -7.998 1.00 0.00 N ATOM 372 CA PRO A 23 11.362 1.953 -8.661 1.00 0.00 C ATOM 373 C PRO A 23 11.366 1.601 -10.147 1.00 0.00 C ATOM 374 O PRO A 23 12.093 2.198 -10.942 1.00 0.00 O ATOM 375 CB PRO A 23 12.502 1.220 -7.937 1.00 0.00 C ATOM 376 CG PRO A 23 11.903 0.702 -6.670 1.00 0.00 C ATOM 377 CD PRO A 23 10.454 0.452 -6.973 1.00 0.00 C ATOM 0 HA PRO A 23 11.448 3.038 -8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.895 0.406 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.333 1.894 -7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.399 -0.214 -6.349 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.014 1.424 -5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.288 -0.560 -7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.830 0.575 -6.088 1.00 0.00 H new ATOM 385 N SER A 24 10.533 0.632 -10.513 1.00 0.00 N ATOM 386 CA SER A 24 10.486 0.127 -11.876 1.00 0.00 C ATOM 387 C SER A 24 9.264 0.641 -12.644 1.00 0.00 C ATOM 388 O SER A 24 9.273 0.662 -13.876 1.00 0.00 O ATOM 389 CB SER A 24 10.476 -1.401 -11.846 1.00 0.00 C ATOM 390 OG SER A 24 11.543 -1.896 -11.057 1.00 0.00 O ATOM 0 H SER A 24 9.877 0.179 -9.877 1.00 0.00 H new ATOM 0 HA SER A 24 11.371 0.491 -12.398 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.526 -1.755 -11.445 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.558 -1.790 -12.861 1.00 0.00 H new ATOM 0 HG SER A 24 11.517 -2.876 -11.050 1.00 0.00 H new ATOM 396 N LYS A 25 8.220 1.061 -11.928 1.00 0.00 N ATOM 397 CA LYS A 25 6.983 1.512 -12.571 1.00 0.00 C ATOM 398 C LYS A 25 6.064 2.199 -11.566 1.00 0.00 C ATOM 399 O LYS A 25 6.329 2.189 -10.369 1.00 0.00 O ATOM 400 CB LYS A 25 6.243 0.329 -13.206 1.00 0.00 C ATOM 401 CG LYS A 25 5.736 -0.685 -12.189 1.00 0.00 C ATOM 402 CD LYS A 25 5.020 -1.848 -12.855 1.00 0.00 C ATOM 403 CE LYS A 25 5.967 -2.671 -13.711 1.00 0.00 C ATOM 404 NZ LYS A 25 5.308 -3.896 -14.235 1.00 0.00 N ATOM 0 H LYS A 25 8.205 1.099 -10.909 1.00 0.00 H new ATOM 0 HA LYS A 25 7.257 2.226 -13.347 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.399 0.706 -13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.910 -0.173 -13.907 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.575 -1.062 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.058 -0.192 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.571 -2.485 -12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.206 -1.469 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.325 -2.065 -14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.840 -2.951 -13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.014 -4.652 -14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.568 -4.203 -13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.880 -3.691 -15.161 1.00 0.00 H new ATOM 418 N GLN A 26 4.983 2.782 -12.056 1.00 0.00 N ATOM 419 CA GLN A 26 3.993 3.416 -11.195 1.00 0.00 C ATOM 420 C GLN A 26 2.587 3.078 -11.672 1.00 0.00 C ATOM 421 O GLN A 26 2.284 3.196 -12.859 1.00 0.00 O ATOM 422 CB GLN A 26 4.195 4.935 -11.168 1.00 0.00 C ATOM 423 CG GLN A 26 3.105 5.682 -10.417 1.00 0.00 C ATOM 424 CD GLN A 26 3.336 7.180 -10.383 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.474 7.648 -10.345 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.255 7.943 -10.413 1.00 0.00 N ATOM 0 H GLN A 26 4.766 2.831 -13.051 1.00 0.00 H new ATOM 0 HA GLN A 26 4.121 3.034 -10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.158 5.157 -10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.238 5.305 -12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.142 5.478 -10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.049 5.304 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.330 7.515 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.347 8.959 -10.405 1.00 0.00 H new ATOM 435 N PHE A 27 1.735 2.651 -10.750 1.00 0.00 N ATOM 436 CA PHE A 27 0.363 2.291 -11.085 1.00 0.00 C ATOM 437 C PHE A 27 -0.551 2.534 -9.890 1.00 0.00 C ATOM 438 O PHE A 27 -0.081 2.695 -8.766 1.00 0.00 O ATOM 439 CB PHE A 27 0.278 0.823 -11.539 1.00 0.00 C ATOM 440 CG PHE A 27 0.751 -0.175 -10.514 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.102 -0.447 -10.359 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.157 -0.845 -9.708 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.537 -1.361 -9.421 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.273 -1.762 -8.767 1.00 0.00 C ATOM 445 CZ PHE A 27 1.622 -2.020 -8.624 1.00 0.00 C ATOM 0 H PHE A 27 1.970 2.545 -9.763 1.00 0.00 H new ATOM 0 HA PHE A 27 0.034 2.920 -11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.756 0.595 -11.799 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.870 0.701 -12.446 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.823 0.063 -10.980 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.213 -0.648 -9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.593 -1.561 -9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.445 -2.276 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.961 -2.736 -7.890 1.00 0.00 H new ATOM 455 N THR A 28 -1.851 2.571 -10.135 1.00 0.00 N ATOM 456 CA THR A 28 -2.813 2.803 -9.069 1.00 0.00 C ATOM 457 C THR A 28 -3.582 1.523 -8.756 1.00 0.00 C ATOM 458 O THR A 28 -3.896 0.741 -9.657 1.00 0.00 O ATOM 459 CB THR A 28 -3.815 3.903 -9.459 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.141 4.938 -10.186 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.483 4.505 -8.234 1.00 0.00 C ATOM 0 H THR A 28 -2.264 2.444 -11.059 1.00 0.00 H new ATOM 0 HA THR A 28 -2.256 3.122 -8.188 1.00 0.00 H new ATOM 0 HB THR A 28 -4.585 3.448 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.783 5.635 -10.434 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.185 5.279 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.019 3.726 -7.692 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.725 4.943 -7.584 1.00 0.00 H new ATOM 469 N VAL A 29 -3.872 1.312 -7.483 1.00 0.00 N ATOM 470 CA VAL A 29 -4.650 0.156 -7.050 1.00 0.00 C ATOM 471 C VAL A 29 -5.872 0.621 -6.267 1.00 0.00 C ATOM 472 O VAL A 29 -5.779 1.552 -5.461 1.00 0.00 O ATOM 473 CB VAL A 29 -3.813 -0.801 -6.161 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.589 -2.069 -5.823 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.497 -1.156 -6.831 1.00 0.00 C ATOM 0 H VAL A 29 -3.580 1.928 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.956 -0.388 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.599 -0.274 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.973 -2.717 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.500 -1.806 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.850 -2.592 -6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.930 -1.828 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.695 -1.648 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.920 -0.247 -7.005 1.00 0.00 H new ATOM 485 N GLU A 30 -7.018 0.006 -6.520 1.00 0.00 N ATOM 486 CA GLU A 30 -8.217 0.321 -5.764 1.00 0.00 C ATOM 487 C GLU A 30 -8.333 -0.596 -4.569 1.00 0.00 C ATOM 488 O GLU A 30 -8.687 -1.770 -4.689 1.00 0.00 O ATOM 489 CB GLU A 30 -9.470 0.227 -6.622 1.00 0.00 C ATOM 490 CG GLU A 30 -9.474 1.227 -7.757 1.00 0.00 C ATOM 491 CD GLU A 30 -10.782 1.253 -8.516 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.185 0.206 -9.062 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.414 2.326 -8.576 1.00 0.00 O ATOM 0 H GLU A 30 -7.141 -0.708 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.130 1.352 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.552 -0.780 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.347 0.390 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.271 2.221 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.664 0.989 -8.447 1.00 0.00 H new ATOM 500 N VAL A 31 -8.001 -0.051 -3.427 1.00 0.00 N ATOM 501 CA VAL A 31 -8.060 -0.788 -2.180 1.00 0.00 C ATOM 502 C VAL A 31 -9.027 -0.111 -1.227 1.00 0.00 C ATOM 503 O VAL A 31 -9.167 1.111 -1.244 1.00 0.00 O ATOM 504 CB VAL A 31 -6.664 -0.906 -1.521 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.711 -1.671 -2.423 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.101 0.469 -1.193 1.00 0.00 C ATOM 0 H VAL A 31 -7.682 0.913 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.410 -1.796 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.775 -1.459 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.735 -1.744 -1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.103 -2.672 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.610 -1.147 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.120 0.360 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.008 1.052 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.772 0.982 -0.503 1.00 0.00 H new ATOM 516 N ASP A 32 -9.719 -0.901 -0.427 1.00 0.00 N ATOM 517 CA ASP A 32 -10.642 -0.352 0.556 1.00 0.00 C ATOM 518 C ASP A 32 -9.881 0.556 1.517 1.00 0.00 C ATOM 519 O ASP A 32 -8.725 0.296 1.840 1.00 0.00 O ATOM 520 CB ASP A 32 -11.339 -1.474 1.331 1.00 0.00 C ATOM 521 CG ASP A 32 -12.525 -0.979 2.140 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.324 -0.176 3.072 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.662 -1.391 1.841 1.00 0.00 O ATOM 0 H ASP A 32 -9.662 -1.919 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.405 0.228 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.676 -2.239 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.621 -1.948 2.000 1.00 0.00 H new ATOM 528 N ARG A 33 -10.517 1.625 1.966 1.00 0.00 N ATOM 529 CA ARG A 33 -9.855 2.574 2.852 1.00 0.00 C ATOM 530 C ARG A 33 -9.620 1.956 4.228 1.00 0.00 C ATOM 531 O ARG A 33 -8.741 2.389 4.972 1.00 0.00 O ATOM 532 CB ARG A 33 -10.665 3.867 2.968 1.00 0.00 C ATOM 533 CG ARG A 33 -12.100 3.664 3.423 1.00 0.00 C ATOM 534 CD ARG A 33 -12.885 4.960 3.344 1.00 0.00 C ATOM 535 NE ARG A 33 -12.949 5.475 1.976 1.00 0.00 N ATOM 536 CZ ARG A 33 -13.441 6.669 1.645 1.00 0.00 C ATOM 537 NH1 ARG A 33 -13.990 7.451 2.567 1.00 0.00 N ATOM 538 NH2 ARG A 33 -13.407 7.071 0.380 1.00 0.00 N ATOM 0 H ARG A 33 -11.483 1.858 1.735 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.885 2.821 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.164 4.535 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.670 4.368 2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.578 2.907 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.111 3.290 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.896 4.796 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.422 5.705 3.991 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.594 4.881 1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.038 7.140 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.364 8.363 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.005 6.467 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.783 7.984 0.125 1.00 0.00 H new ATOM 552 N THR A 34 -10.393 0.928 4.550 1.00 0.00 N ATOM 553 CA THR A 34 -10.225 0.218 5.806 1.00 0.00 C ATOM 554 C THR A 34 -9.365 -1.026 5.609 1.00 0.00 C ATOM 555 O THR A 34 -9.322 -1.907 6.467 1.00 0.00 O ATOM 556 CB THR A 34 -11.581 -0.169 6.439 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.380 -0.927 5.520 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.346 1.073 6.870 1.00 0.00 C ATOM 0 H THR A 34 -11.142 0.569 3.958 1.00 0.00 H new ATOM 0 HA THR A 34 -9.720 0.897 6.493 1.00 0.00 H new ATOM 0 HB THR A 34 -11.372 -0.784 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.600 -0.372 4.743 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.297 0.779 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.759 1.625 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.530 1.706 6.002 1.00 0.00 H new ATOM 566 N GLU A 35 -8.679 -1.093 4.471 1.00 0.00 N ATOM 567 CA GLU A 35 -7.791 -2.210 4.179 1.00 0.00 C ATOM 568 C GLU A 35 -6.555 -2.147 5.071 1.00 0.00 C ATOM 569 O GLU A 35 -6.119 -1.065 5.471 1.00 0.00 O ATOM 570 CB GLU A 35 -7.376 -2.192 2.704 1.00 0.00 C ATOM 571 CG GLU A 35 -6.672 -3.458 2.247 1.00 0.00 C ATOM 572 CD GLU A 35 -7.568 -4.674 2.341 1.00 0.00 C ATOM 573 OE1 GLU A 35 -7.836 -5.134 3.473 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.016 -5.170 1.289 1.00 0.00 O ATOM 0 H GLU A 35 -8.722 -0.386 3.737 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.325 -3.139 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.263 -2.039 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.718 -1.340 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.337 -3.334 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.781 -3.617 2.855 1.00 0.00 H new ATOM 581 N THR A 36 -6.002 -3.305 5.382 1.00 0.00 N ATOM 582 CA THR A 36 -4.823 -3.392 6.221 1.00 0.00 C ATOM 583 C THR A 36 -3.552 -3.295 5.385 1.00 0.00 C ATOM 584 O THR A 36 -3.548 -3.662 4.208 1.00 0.00 O ATOM 585 CB THR A 36 -4.820 -4.711 7.010 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.327 -5.770 6.183 1.00 0.00 O ATOM 587 CG2 THR A 36 -5.660 -4.593 8.274 1.00 0.00 C ATOM 0 H THR A 36 -6.356 -4.207 5.062 1.00 0.00 H new ATOM 0 HA THR A 36 -4.849 -2.556 6.920 1.00 0.00 H new ATOM 0 HB THR A 36 -3.794 -4.935 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.458 -6.575 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.641 -5.540 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.254 -3.806 8.909 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.688 -4.349 8.006 1.00 0.00 H new ATOM 595 N VAL A 37 -2.479 -2.796 5.995 1.00 0.00 N ATOM 596 CA VAL A 37 -1.180 -2.699 5.329 1.00 0.00 C ATOM 597 C VAL A 37 -0.735 -4.070 4.814 1.00 0.00 C ATOM 598 O VAL A 37 -0.160 -4.185 3.731 1.00 0.00 O ATOM 599 CB VAL A 37 -0.094 -2.127 6.272 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.266 -2.082 5.587 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.492 -0.743 6.754 1.00 0.00 C ATOM 0 H VAL A 37 -2.483 -2.451 6.955 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.301 -2.015 4.489 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.012 -2.790 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.007 -1.676 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.559 -3.090 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.207 -1.448 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.280 -0.352 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.606 -0.078 5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.437 -0.804 7.294 1.00 0.00 H new ATOM 611 N SER A 38 -1.025 -5.103 5.596 1.00 0.00 N ATOM 612 CA SER A 38 -0.715 -6.472 5.215 1.00 0.00 C ATOM 613 C SER A 38 -1.409 -6.845 3.908 1.00 0.00 C ATOM 614 O SER A 38 -0.794 -7.407 3.004 1.00 0.00 O ATOM 615 CB SER A 38 -1.146 -7.421 6.334 1.00 0.00 C ATOM 616 OG SER A 38 -2.465 -7.118 6.768 1.00 0.00 O ATOM 0 H SER A 38 -1.478 -5.015 6.505 1.00 0.00 H new ATOM 0 HA SER A 38 0.360 -6.558 5.060 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.101 -8.451 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.454 -7.341 7.173 1.00 0.00 H new ATOM 0 HG SER A 38 -2.724 -7.736 7.483 1.00 0.00 H new ATOM 622 N SER A 39 -2.682 -6.487 3.801 1.00 0.00 N ATOM 623 CA SER A 39 -3.476 -6.847 2.641 1.00 0.00 C ATOM 624 C SER A 39 -3.164 -5.915 1.483 1.00 0.00 C ATOM 625 O SER A 39 -3.343 -6.268 0.318 1.00 0.00 O ATOM 626 CB SER A 39 -4.959 -6.803 2.993 1.00 0.00 C ATOM 627 OG SER A 39 -5.233 -7.637 4.109 1.00 0.00 O ATOM 0 H SER A 39 -3.184 -5.947 4.506 1.00 0.00 H new ATOM 0 HA SER A 39 -3.225 -7.863 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.255 -5.778 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.551 -7.126 2.137 1.00 0.00 H new ATOM 0 HG SER A 39 -5.290 -7.090 4.920 1.00 0.00 H new ATOM 633 N LEU A 40 -2.693 -4.723 1.815 1.00 0.00 N ATOM 634 CA LEU A 40 -2.228 -3.777 0.817 1.00 0.00 C ATOM 635 C LEU A 40 -1.043 -4.378 0.068 1.00 0.00 C ATOM 636 O LEU A 40 -0.954 -4.295 -1.159 1.00 0.00 O ATOM 637 CB LEU A 40 -1.815 -2.466 1.487 1.00 0.00 C ATOM 638 CG LEU A 40 -1.701 -1.279 0.541 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.055 -0.982 -0.067 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.158 -0.060 1.266 1.00 0.00 C ATOM 0 H LEU A 40 -2.623 -4.388 2.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.034 -3.568 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.541 -2.226 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.855 -2.613 1.982 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.001 -1.530 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.971 -0.132 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.404 -1.854 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.766 -0.746 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.085 0.775 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.829 0.206 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.170 -0.285 1.667 1.00 0.00 H new ATOM 652 N LYS A 41 -0.147 -5.000 0.826 1.00 0.00 N ATOM 653 CA LYS A 41 1.005 -5.683 0.257 1.00 0.00 C ATOM 654 C LYS A 41 0.561 -6.885 -0.572 1.00 0.00 C ATOM 655 O LYS A 41 1.171 -7.203 -1.593 1.00 0.00 O ATOM 656 CB LYS A 41 1.970 -6.121 1.364 1.00 0.00 C ATOM 657 CG LYS A 41 2.644 -4.959 2.078 1.00 0.00 C ATOM 658 CD LYS A 41 3.531 -5.432 3.218 1.00 0.00 C ATOM 659 CE LYS A 41 4.242 -4.267 3.892 1.00 0.00 C ATOM 660 NZ LYS A 41 5.050 -4.708 5.062 1.00 0.00 N ATOM 0 H LYS A 41 -0.199 -5.044 1.844 1.00 0.00 H new ATOM 0 HA LYS A 41 1.527 -4.987 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.425 -6.719 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.736 -6.765 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.242 -4.392 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.884 -4.281 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.928 -5.965 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.268 -6.139 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.891 -3.771 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.506 -3.532 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.798 -4.010 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.435 -4.791 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.482 -5.632 4.857 1.00 0.00 H new ATOM 674 N ASP A 42 -0.515 -7.538 -0.139 1.00 0.00 N ATOM 675 CA ASP A 42 -1.083 -8.653 -0.894 1.00 0.00 C ATOM 676 C ASP A 42 -1.550 -8.184 -2.267 1.00 0.00 C ATOM 677 O ASP A 42 -1.308 -8.854 -3.268 1.00 0.00 O ATOM 678 CB ASP A 42 -2.255 -9.300 -0.150 1.00 0.00 C ATOM 679 CG ASP A 42 -1.818 -10.241 0.953 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.246 -11.307 0.639 1.00 0.00 O ATOM 681 OD2 ASP A 42 -2.069 -9.939 2.138 1.00 0.00 O ATOM 0 H ASP A 42 -1.009 -7.316 0.725 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.297 -9.399 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.882 -8.517 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.871 -9.848 -0.863 1.00 0.00 H new ATOM 686 N LYS A 43 -2.203 -7.023 -2.308 1.00 0.00 N ATOM 687 CA LYS A 43 -2.688 -6.455 -3.568 1.00 0.00 C ATOM 688 C LYS A 43 -1.540 -6.305 -4.550 1.00 0.00 C ATOM 689 O LYS A 43 -1.616 -6.750 -5.697 1.00 0.00 O ATOM 690 CB LYS A 43 -3.317 -5.076 -3.346 1.00 0.00 C ATOM 691 CG LYS A 43 -4.451 -5.053 -2.339 1.00 0.00 C ATOM 692 CD LYS A 43 -5.627 -5.904 -2.783 1.00 0.00 C ATOM 693 CE LYS A 43 -6.795 -5.745 -1.829 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.892 -6.705 -2.121 1.00 0.00 N ATOM 0 H LYS A 43 -2.409 -6.457 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.441 -7.135 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.541 -4.386 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.689 -4.703 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.087 -5.412 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.783 -4.025 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.931 -5.616 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.328 -6.951 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.449 -5.891 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.179 -4.727 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.669 -6.560 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.241 -6.549 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.534 -7.678 -2.034 1.00 0.00 H new ATOM 708 N ILE A 44 -0.469 -5.684 -4.078 1.00 0.00 N ATOM 709 CA ILE A 44 0.702 -5.436 -4.899 1.00 0.00 C ATOM 710 C ILE A 44 1.339 -6.743 -5.357 1.00 0.00 C ATOM 711 O ILE A 44 1.751 -6.866 -6.504 1.00 0.00 O ATOM 712 CB ILE A 44 1.743 -4.590 -4.143 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.117 -3.269 -3.689 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.949 -4.333 -5.028 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.048 -2.404 -2.869 1.00 0.00 C ATOM 0 H ILE A 44 -0.389 -5.341 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 44 0.369 -4.881 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 44 2.073 -5.138 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.795 -2.709 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.224 -3.483 -3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.679 -3.734 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.400 -5.283 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.635 -3.797 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.535 -1.486 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.351 -2.944 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.931 -2.158 -3.459 1.00 0.00 H new ATOM 727 N HIS A 45 1.392 -7.722 -4.462 1.00 0.00 N ATOM 728 CA HIS A 45 1.979 -9.021 -4.782 1.00 0.00 C ATOM 729 C HIS A 45 1.177 -9.734 -5.870 1.00 0.00 C ATOM 730 O HIS A 45 1.728 -10.509 -6.653 1.00 0.00 O ATOM 731 CB HIS A 45 2.056 -9.894 -3.525 1.00 0.00 C ATOM 732 CG HIS A 45 2.716 -11.222 -3.754 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.071 -11.364 -3.956 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.195 -12.469 -3.822 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.354 -12.641 -4.138 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.234 -13.330 -4.060 1.00 0.00 N ATOM 0 H HIS A 45 1.036 -7.643 -3.509 1.00 0.00 H new ATOM 0 HA HIS A 45 2.988 -8.852 -5.159 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.603 -9.355 -2.752 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.048 -10.060 -3.146 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.749 -10.602 -3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.155 -12.736 -3.710 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.337 -13.051 -4.320 1.00 0.00 H new ATOM 745 N ILE A 46 -0.121 -9.481 -5.903 1.00 0.00 N ATOM 746 CA ILE A 46 -0.993 -10.083 -6.903 1.00 0.00 C ATOM 747 C ILE A 46 -0.797 -9.423 -8.269 1.00 0.00 C ATOM 748 O ILE A 46 -0.806 -10.096 -9.300 1.00 0.00 O ATOM 749 CB ILE A 46 -2.475 -9.982 -6.479 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.701 -10.763 -5.182 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.393 -10.498 -7.579 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.078 -10.570 -4.585 1.00 0.00 C ATOM 0 H ILE A 46 -0.597 -8.861 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.724 -11.136 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.715 -8.933 -6.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.545 -11.824 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.952 -10.459 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.431 -10.416 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.247 -9.906 -8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.160 -11.542 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.163 -11.154 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.232 -9.515 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.833 -10.901 -5.298 1.00 0.00 H new ATOM 764 N VAL A 47 -0.600 -8.113 -8.264 1.00 0.00 N ATOM 765 CA VAL A 47 -0.430 -7.361 -9.502 1.00 0.00 C ATOM 766 C VAL A 47 1.013 -7.434 -10.000 1.00 0.00 C ATOM 767 O VAL A 47 1.272 -7.836 -11.136 1.00 0.00 O ATOM 768 CB VAL A 47 -0.834 -5.879 -9.325 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.670 -5.112 -10.629 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.263 -5.770 -8.814 1.00 0.00 C ATOM 0 H VAL A 47 -0.554 -7.547 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.087 -7.819 -10.241 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.170 -5.433 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.960 -4.072 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.371 -5.155 -10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.303 -5.558 -11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.528 -4.719 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.941 -6.237 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.345 -6.275 -7.852 1.00 0.00 H new ATOM 780 N GLU A 48 1.946 -7.061 -9.142 1.00 0.00 N ATOM 781 CA GLU A 48 3.351 -7.000 -9.512 1.00 0.00 C ATOM 782 C GLU A 48 4.100 -8.240 -9.055 1.00 0.00 C ATOM 783 O GLU A 48 3.719 -8.891 -8.081 1.00 0.00 O ATOM 784 CB GLU A 48 4.001 -5.752 -8.915 1.00 0.00 C ATOM 785 CG GLU A 48 4.042 -4.576 -9.877 1.00 0.00 C ATOM 786 CD GLU A 48 4.868 -4.877 -11.109 1.00 0.00 C ATOM 787 OE1 GLU A 48 6.108 -4.757 -11.043 1.00 0.00 O ATOM 788 OE2 GLU A 48 4.285 -5.234 -12.152 1.00 0.00 O ATOM 0 H GLU A 48 1.755 -6.794 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 48 3.406 -6.952 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.454 -5.460 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.017 -5.994 -8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.026 -4.317 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.456 -3.706 -9.368 1.00 0.00 H new ATOM 795 N ASN A 49 5.171 -8.557 -9.762 1.00 0.00 N ATOM 796 CA ASN A 49 6.004 -9.696 -9.421 1.00 0.00 C ATOM 797 C ASN A 49 7.053 -9.271 -8.408 1.00 0.00 C ATOM 798 O ASN A 49 8.198 -8.978 -8.752 1.00 0.00 O ATOM 799 CB ASN A 49 6.671 -10.283 -10.670 1.00 0.00 C ATOM 800 CG ASN A 49 7.445 -11.555 -10.376 1.00 0.00 C ATOM 801 OD1 ASN A 49 8.641 -11.520 -10.084 1.00 0.00 O ATOM 802 ND2 ASN A 49 6.767 -12.689 -10.454 1.00 0.00 N ATOM 0 H ASN A 49 5.485 -8.037 -10.581 1.00 0.00 H new ATOM 0 HA ASN A 49 5.375 -10.472 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.908 -10.492 -11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.346 -9.542 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.235 -13.576 -10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.777 -12.675 -10.699 1.00 0.00 H new ATOM 809 N THR A 50 6.627 -9.163 -7.165 1.00 0.00 N ATOM 810 CA THR A 50 7.507 -8.767 -6.082 1.00 0.00 C ATOM 811 C THR A 50 7.091 -9.438 -4.775 1.00 0.00 C ATOM 812 O THR A 50 5.936 -9.336 -4.352 1.00 0.00 O ATOM 813 CB THR A 50 7.506 -7.234 -5.901 1.00 0.00 C ATOM 814 OG1 THR A 50 7.858 -6.602 -7.141 1.00 0.00 O ATOM 815 CG2 THR A 50 8.487 -6.805 -4.818 1.00 0.00 C ATOM 0 H THR A 50 5.666 -9.346 -6.877 1.00 0.00 H new ATOM 0 HA THR A 50 8.516 -9.089 -6.342 1.00 0.00 H new ATOM 0 HB THR A 50 6.505 -6.929 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.791 -5.629 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.463 -5.720 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.208 -7.266 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.493 -7.121 -5.093 1.00 0.00 H new ATOM 823 N PRO A 51 8.019 -10.176 -4.146 1.00 0.00 N ATOM 824 CA PRO A 51 7.799 -10.766 -2.825 1.00 0.00 C ATOM 825 C PRO A 51 7.536 -9.702 -1.765 1.00 0.00 C ATOM 826 O PRO A 51 8.225 -8.678 -1.706 1.00 0.00 O ATOM 827 CB PRO A 51 9.111 -11.500 -2.524 1.00 0.00 C ATOM 828 CG PRO A 51 9.765 -11.689 -3.852 1.00 0.00 C ATOM 829 CD PRO A 51 9.343 -10.516 -4.690 1.00 0.00 C ATOM 0 HA PRO A 51 6.926 -11.418 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.743 -10.918 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.924 -12.457 -2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.850 -11.727 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.454 -12.628 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.042 -9.684 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.290 -10.774 -5.748 1.00 0.00 H new ATOM 837 N ILE A 52 6.548 -9.958 -0.921 1.00 0.00 N ATOM 838 CA ILE A 52 6.150 -9.018 0.118 1.00 0.00 C ATOM 839 C ILE A 52 7.280 -8.800 1.126 1.00 0.00 C ATOM 840 O ILE A 52 7.390 -7.737 1.732 1.00 0.00 O ATOM 841 CB ILE A 52 4.872 -9.512 0.840 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.706 -9.566 -0.153 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.523 -8.619 2.023 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.409 -10.062 0.448 1.00 0.00 C ATOM 0 H ILE A 52 6.001 -10.819 -0.936 1.00 0.00 H new ATOM 0 HA ILE A 52 5.933 -8.063 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 52 5.062 -10.513 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.546 -8.569 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.980 -10.214 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.621 -8.993 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.347 -8.622 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.351 -7.601 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.633 -10.071 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.550 -11.072 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.109 -9.401 1.261 1.00 0.00 H new ATOM 856 N LYS A 53 8.139 -9.802 1.263 1.00 0.00 N ATOM 857 CA LYS A 53 9.256 -9.737 2.200 1.00 0.00 C ATOM 858 C LYS A 53 10.350 -8.783 1.711 1.00 0.00 C ATOM 859 O LYS A 53 11.276 -8.458 2.456 1.00 0.00 O ATOM 860 CB LYS A 53 9.841 -11.132 2.409 1.00 0.00 C ATOM 861 CG LYS A 53 8.833 -12.139 2.932 1.00 0.00 C ATOM 862 CD LYS A 53 9.459 -13.512 3.092 1.00 0.00 C ATOM 863 CE LYS A 53 8.440 -14.543 3.547 1.00 0.00 C ATOM 864 NZ LYS A 53 7.971 -14.301 4.936 1.00 0.00 N ATOM 0 H LYS A 53 8.084 -10.673 0.735 1.00 0.00 H new ATOM 0 HA LYS A 53 8.875 -9.352 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.246 -11.493 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.674 -11.067 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.442 -11.801 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.987 -12.200 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.896 -13.826 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.272 -13.459 3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.586 -14.529 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.881 -15.538 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.343 -15.076 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.790 -14.256 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.451 -13.401 4.975 1.00 0.00 H new ATOM 878 N ARG A 54 10.248 -8.344 0.460 1.00 0.00 N ATOM 879 CA ARG A 54 11.239 -7.434 -0.114 1.00 0.00 C ATOM 880 C ARG A 54 10.735 -5.994 -0.110 1.00 0.00 C ATOM 881 O ARG A 54 11.478 -5.063 0.201 1.00 0.00 O ATOM 882 CB ARG A 54 11.578 -7.826 -1.554 1.00 0.00 C ATOM 883 CG ARG A 54 12.385 -9.103 -1.700 1.00 0.00 C ATOM 884 CD ARG A 54 12.695 -9.359 -3.165 1.00 0.00 C ATOM 885 NE ARG A 54 13.557 -10.523 -3.376 1.00 0.00 N ATOM 886 CZ ARG A 54 13.756 -11.082 -4.572 1.00 0.00 C ATOM 887 NH1 ARG A 54 13.138 -10.598 -5.643 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.576 -12.120 -4.696 1.00 0.00 N ATOM 0 H ARG A 54 9.493 -8.601 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 54 12.132 -7.509 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.649 -7.936 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.133 -7.009 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.312 -9.024 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.829 -9.944 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.761 -9.503 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.176 -8.477 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 54 14.030 -10.928 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.511 -9.799 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.290 -11.025 -6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.055 -12.492 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.726 -12.545 -5.611 1.00 0.00 H new ATOM 902 N MET A 55 9.473 -5.820 -0.464 1.00 0.00 N ATOM 903 CA MET A 55 8.914 -4.489 -0.659 1.00 0.00 C ATOM 904 C MET A 55 8.327 -3.918 0.627 1.00 0.00 C ATOM 905 O MET A 55 7.565 -4.581 1.333 1.00 0.00 O ATOM 906 CB MET A 55 7.844 -4.519 -1.756 1.00 0.00 C ATOM 907 CG MET A 55 6.697 -5.477 -1.481 1.00 0.00 C ATOM 908 SD MET A 55 5.505 -5.520 -2.832 1.00 0.00 S ATOM 909 CE MET A 55 4.349 -6.747 -2.237 1.00 0.00 C ATOM 0 H MET A 55 8.814 -6.583 -0.623 1.00 0.00 H new ATOM 0 HA MET A 55 9.731 -3.836 -0.965 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.441 -3.514 -1.882 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.315 -4.795 -2.700 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.094 -6.479 -1.318 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.191 -5.181 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.459 -6.743 -2.866 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.814 -7.732 -2.272 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.069 -6.515 -1.210 1.00 0.00 H new ATOM 919 N GLN A 56 8.694 -2.680 0.924 1.00 0.00 N ATOM 920 CA GLN A 56 8.135 -1.972 2.060 1.00 0.00 C ATOM 921 C GLN A 56 7.264 -0.825 1.567 1.00 0.00 C ATOM 922 O GLN A 56 7.528 -0.250 0.511 1.00 0.00 O ATOM 923 CB GLN A 56 9.240 -1.422 2.958 1.00 0.00 C ATOM 924 CG GLN A 56 8.743 -1.009 4.332 1.00 0.00 C ATOM 925 CD GLN A 56 8.355 -2.203 5.177 1.00 0.00 C ATOM 926 OE1 GLN A 56 7.216 -2.675 5.126 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.296 -2.686 5.972 1.00 0.00 N ATOM 0 H GLN A 56 9.379 -2.146 0.390 1.00 0.00 H new ATOM 0 HA GLN A 56 7.534 -2.672 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.017 -2.178 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.701 -0.562 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.520 -0.441 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.884 -0.347 4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.224 -2.262 5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.094 -3.482 6.577 1.00 0.00 H new ATOM 936 N LEU A 57 6.237 -0.489 2.328 1.00 0.00 N ATOM 937 CA LEU A 57 5.302 0.547 1.922 1.00 0.00 C ATOM 938 C LEU A 57 5.576 1.850 2.657 1.00 0.00 C ATOM 939 O LEU A 57 5.795 1.855 3.868 1.00 0.00 O ATOM 940 CB LEU A 57 3.867 0.096 2.186 1.00 0.00 C ATOM 941 CG LEU A 57 3.460 -1.206 1.496 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.005 -1.531 1.792 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.691 -1.104 -0.003 1.00 0.00 C ATOM 0 H LEU A 57 6.029 -0.918 3.230 1.00 0.00 H new ATOM 0 HA LEU A 57 5.435 0.720 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.732 -0.023 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.189 0.887 1.865 1.00 0.00 H new ATOM 0 HG LEU A 57 4.078 -2.015 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.731 -2.461 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.869 -1.642 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.370 -0.723 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.397 -2.038 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.095 -0.286 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.747 -0.914 -0.196 1.00 0.00 H new ATOM 955 N TYR A 58 5.575 2.946 1.917 1.00 0.00 N ATOM 956 CA TYR A 58 5.757 4.266 2.495 1.00 0.00 C ATOM 957 C TYR A 58 4.594 5.166 2.126 1.00 0.00 C ATOM 958 O TYR A 58 4.329 5.399 0.952 1.00 0.00 O ATOM 959 CB TYR A 58 7.057 4.907 2.004 1.00 0.00 C ATOM 960 CG TYR A 58 8.305 4.373 2.657 1.00 0.00 C ATOM 961 CD1 TYR A 58 8.830 3.136 2.305 1.00 0.00 C ATOM 962 CD2 TYR A 58 8.969 5.122 3.617 1.00 0.00 C ATOM 963 CE1 TYR A 58 9.983 2.660 2.895 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.122 4.654 4.214 1.00 0.00 C ATOM 965 CZ TYR A 58 10.626 3.425 3.847 1.00 0.00 C ATOM 966 OH TYR A 58 11.774 2.955 4.441 1.00 0.00 O ATOM 0 H TYR A 58 5.449 2.946 0.905 1.00 0.00 H new ATOM 0 HA TYR A 58 5.805 4.149 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.135 4.760 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.004 5.982 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.328 2.538 1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.577 6.087 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.380 1.696 2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.626 5.247 4.963 1.00 0.00 H new ATOM 0 HH TYR A 58 11.710 3.068 5.412 1.00 0.00 H new ATOM 976 N TYR A 59 3.911 5.681 3.125 1.00 0.00 N ATOM 977 CA TYR A 59 2.845 6.631 2.887 1.00 0.00 C ATOM 978 C TYR A 59 3.411 8.034 2.969 1.00 0.00 C ATOM 979 O TYR A 59 3.688 8.525 4.065 1.00 0.00 O ATOM 980 CB TYR A 59 1.703 6.455 3.891 1.00 0.00 C ATOM 981 CG TYR A 59 0.667 7.552 3.809 1.00 0.00 C ATOM 982 CD1 TYR A 59 -0.138 7.686 2.687 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.504 8.458 4.848 1.00 0.00 C ATOM 984 CE1 TYR A 59 -1.079 8.690 2.605 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.438 9.465 4.772 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.225 9.578 3.646 1.00 0.00 C ATOM 987 OH TYR A 59 -2.171 10.575 3.563 1.00 0.00 O ATOM 0 H TYR A 59 4.074 5.459 4.107 1.00 0.00 H new ATOM 0 HA TYR A 59 2.432 6.455 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.220 5.493 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.115 6.427 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.026 6.994 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.123 8.374 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.700 8.779 1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.557 10.160 5.590 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.148 11.116 4.380 1.00 0.00 H new ATOM 997 N SER A 60 3.614 8.651 1.806 1.00 0.00 N ATOM 998 CA SER A 60 4.214 9.979 1.718 1.00 0.00 C ATOM 999 C SER A 60 5.678 9.947 2.167 1.00 0.00 C ATOM 1000 O SER A 60 6.587 10.001 1.340 1.00 0.00 O ATOM 1001 CB SER A 60 3.386 10.983 2.531 1.00 0.00 C ATOM 1002 OG SER A 60 2.183 11.300 1.848 1.00 0.00 O ATOM 0 H SER A 60 3.368 8.246 0.903 1.00 0.00 H new ATOM 0 HA SER A 60 4.208 10.304 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.156 10.565 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.966 11.890 2.699 1.00 0.00 H new ATOM 0 HG SER A 60 1.664 11.940 2.379 1.00 0.00 H new ATOM 1008 N GLY A 61 5.898 9.836 3.465 1.00 0.00 N ATOM 1009 CA GLY A 61 7.241 9.708 3.990 1.00 0.00 C ATOM 1010 C GLY A 61 7.264 8.837 5.223 1.00 0.00 C ATOM 1011 O GLY A 61 8.273 8.751 5.925 1.00 0.00 O ATOM 0 H GLY A 61 5.163 9.832 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.893 9.281 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.636 10.695 4.231 1.00 0.00 H new ATOM 1015 N ILE A 62 6.140 8.182 5.471 1.00 0.00 N ATOM 1016 CA ILE A 62 5.957 7.358 6.655 1.00 0.00 C ATOM 1017 C ILE A 62 6.028 5.883 6.285 1.00 0.00 C ATOM 1018 O ILE A 62 5.264 5.409 5.446 1.00 0.00 O ATOM 1019 CB ILE A 62 4.592 7.653 7.303 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.471 9.147 7.603 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.406 6.837 8.577 1.00 0.00 C ATOM 1022 CD1 ILE A 62 3.046 9.613 7.785 1.00 0.00 C ATOM 0 H ILE A 62 5.327 8.207 4.855 1.00 0.00 H new ATOM 0 HA ILE A 62 6.752 7.592 7.363 1.00 0.00 H new ATOM 0 HB ILE A 62 3.807 7.366 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.037 9.375 8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.928 9.711 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.434 7.064 9.016 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.458 5.774 8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.193 7.089 9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.037 10.683 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.480 9.417 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.591 9.076 8.617 1.00 0.00 H new ATOM 1034 N GLU A 63 6.939 5.163 6.914 1.00 0.00 N ATOM 1035 CA GLU A 63 7.119 3.748 6.622 1.00 0.00 C ATOM 1036 C GLU A 63 6.056 2.921 7.334 1.00 0.00 C ATOM 1037 O GLU A 63 5.938 2.959 8.562 1.00 0.00 O ATOM 1038 CB GLU A 63 8.521 3.284 7.025 1.00 0.00 C ATOM 1039 CG GLU A 63 8.807 1.832 6.658 1.00 0.00 C ATOM 1040 CD GLU A 63 10.269 1.459 6.806 1.00 0.00 C ATOM 1041 OE1 GLU A 63 11.113 2.372 6.947 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.591 0.255 6.745 1.00 0.00 O ATOM 0 H GLU A 63 7.566 5.532 7.629 1.00 0.00 H new ATOM 0 HA GLU A 63 7.010 3.603 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.260 3.925 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.642 3.410 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.206 1.178 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.495 1.655 5.629 1.00 0.00 H new ATOM 1049 N LEU A 64 5.281 2.182 6.555 1.00 0.00 N ATOM 1050 CA LEU A 64 4.213 1.357 7.096 1.00 0.00 C ATOM 1051 C LEU A 64 4.774 0.019 7.569 1.00 0.00 C ATOM 1052 O LEU A 64 4.708 -0.985 6.858 1.00 0.00 O ATOM 1053 CB LEU A 64 3.123 1.135 6.041 1.00 0.00 C ATOM 1054 CG LEU A 64 2.578 2.407 5.380 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.527 2.057 4.341 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.996 3.354 6.419 1.00 0.00 C ATOM 0 H LEU A 64 5.373 2.137 5.540 1.00 0.00 H new ATOM 0 HA LEU A 64 3.769 1.873 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.521 0.484 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.293 0.604 6.507 1.00 0.00 H new ATOM 0 HG LEU A 64 3.407 2.912 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.151 2.971 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.971 1.422 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.704 1.527 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.616 4.248 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.182 2.858 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.772 3.635 7.131 1.00 0.00 H new ATOM 1068 N ALA A 65 5.360 0.027 8.759 1.00 0.00 N ATOM 1069 CA ALA A 65 5.964 -1.172 9.328 1.00 0.00 C ATOM 1070 C ALA A 65 4.926 -2.007 10.070 1.00 0.00 C ATOM 1071 O ALA A 65 5.146 -3.185 10.345 1.00 0.00 O ATOM 1072 CB ALA A 65 7.110 -0.796 10.257 1.00 0.00 C ATOM 0 H ALA A 65 5.430 0.854 9.352 1.00 0.00 H new ATOM 0 HA ALA A 65 6.360 -1.775 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.552 -1.701 10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.867 -0.248 9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.733 -0.170 11.066 1.00 0.00 H new ATOM 1078 N ASP A 66 3.802 -1.388 10.397 1.00 0.00 N ATOM 1079 CA ASP A 66 2.715 -2.081 11.074 1.00 0.00 C ATOM 1080 C ASP A 66 1.743 -2.640 10.045 1.00 0.00 C ATOM 1081 O ASP A 66 0.914 -1.912 9.502 1.00 0.00 O ATOM 1082 CB ASP A 66 1.982 -1.132 12.032 1.00 0.00 C ATOM 1083 CG ASP A 66 2.866 -0.629 13.157 1.00 0.00 C ATOM 1084 OD1 ASP A 66 3.781 0.177 12.892 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.650 -1.040 14.319 1.00 0.00 O ATOM 0 H ASP A 66 3.618 -0.404 10.204 1.00 0.00 H new ATOM 0 HA ASP A 66 3.132 -2.902 11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.599 -0.281 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.120 -1.647 12.457 1.00 0.00 H new ATOM 1090 N ASP A 67 1.867 -3.931 9.770 1.00 0.00 N ATOM 1091 CA ASP A 67 1.074 -4.579 8.728 1.00 0.00 C ATOM 1092 C ASP A 67 -0.383 -4.715 9.150 1.00 0.00 C ATOM 1093 O ASP A 67 -1.294 -4.624 8.327 1.00 0.00 O ATOM 1094 CB ASP A 67 1.643 -5.963 8.397 1.00 0.00 C ATOM 1095 CG ASP A 67 3.031 -5.905 7.784 1.00 0.00 C ATOM 1096 OD1 ASP A 67 3.138 -5.825 6.543 1.00 0.00 O ATOM 1097 OD2 ASP A 67 4.023 -5.948 8.541 1.00 0.00 O ATOM 0 H ASP A 67 2.512 -4.555 10.255 1.00 0.00 H new ATOM 0 HA ASP A 67 1.123 -3.949 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.679 -6.562 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.969 -6.471 7.708 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.602 -4.906 10.441 1.00 0.00 N ATOM 1103 CA TYR A 68 -1.947 -5.115 10.974 1.00 0.00 C ATOM 1104 C TYR A 68 -2.707 -3.797 11.147 1.00 0.00 C ATOM 1105 O TYR A 68 -3.731 -3.740 11.830 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.870 -5.859 12.307 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.771 -5.373 13.229 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.850 -4.134 13.857 1.00 0.00 C ATOM 1109 CD2 TYR A 68 0.342 -6.163 13.475 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.152 -3.700 14.703 1.00 0.00 C ATOM 1111 CE2 TYR A 68 1.349 -5.735 14.317 1.00 0.00 C ATOM 1112 CZ TYR A 68 1.251 -4.505 14.930 1.00 0.00 C ATOM 1113 OH TYR A 68 2.252 -4.085 15.776 1.00 0.00 O ATOM 0 H TYR A 68 0.135 -4.921 11.146 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.499 -5.717 10.252 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.827 -5.763 12.819 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.720 -6.920 12.109 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.708 -3.502 13.680 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.422 -7.130 13.000 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.076 -2.736 15.184 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.210 -6.362 14.494 1.00 0.00 H new ATOM 0 HH TYR A 68 2.949 -4.772 15.824 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.213 -2.749 10.515 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.817 -1.434 10.625 1.00 0.00 C ATOM 1125 C ARG A 69 -3.636 -1.093 9.393 1.00 0.00 C ATOM 1126 O ARG A 69 -3.217 -1.346 8.265 1.00 0.00 O ATOM 1127 CB ARG A 69 -1.738 -0.384 10.853 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.449 -0.144 12.319 1.00 0.00 C ATOM 1129 CD ARG A 69 -2.548 0.688 12.946 1.00 0.00 C ATOM 1130 NE ARG A 69 -2.471 0.691 14.402 1.00 0.00 N ATOM 1131 CZ ARG A 69 -3.421 1.192 15.193 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -4.458 1.829 14.663 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -3.327 1.072 16.509 1.00 0.00 N ATOM 0 H ARG A 69 -1.388 -2.784 9.916 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.495 -1.443 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.821 -0.698 10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.047 0.553 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.364 -1.098 12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.492 0.365 12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.482 1.712 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.518 0.300 12.636 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.644 0.287 14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.528 1.935 13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.185 2.212 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.526 0.595 16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.056 1.457 17.110 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.816 -0.540 9.626 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.677 -0.061 8.551 1.00 0.00 C ATOM 1149 C ASN A 70 -5.098 1.200 7.935 1.00 0.00 C ATOM 1150 O ASN A 70 -4.483 2.010 8.632 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.083 0.249 9.072 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.910 -0.980 9.392 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.387 -2.033 9.748 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -9.224 -0.840 9.290 1.00 0.00 N ATOM 0 H ASN A 70 -5.204 -0.410 10.560 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.737 -0.849 7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.999 0.861 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.611 0.845 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.839 -1.623 9.511 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.620 0.051 8.991 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.303 1.374 6.639 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.839 2.571 5.950 1.00 0.00 C ATOM 1163 C LEU A 71 -5.508 3.814 6.532 1.00 0.00 C ATOM 1164 O LEU A 71 -4.858 4.836 6.763 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.129 2.475 4.451 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.529 1.256 3.744 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.818 1.321 2.254 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.031 1.174 3.997 1.00 0.00 C ATOM 0 H LEU A 71 -5.787 0.703 6.042 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.761 2.651 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.209 2.462 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.753 3.376 3.967 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.991 0.356 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.387 0.449 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.896 1.333 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.379 2.227 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.623 0.302 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.548 2.075 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.847 1.087 5.068 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.809 3.704 6.790 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.585 4.806 7.356 1.00 0.00 C ATOM 1182 C ASN A 72 -7.055 5.214 8.729 1.00 0.00 C ATOM 1183 O ASN A 72 -7.169 6.372 9.121 1.00 0.00 O ATOM 1184 CB ASN A 72 -9.071 4.431 7.453 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.333 3.268 8.396 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.276 2.107 7.998 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.633 3.567 9.648 1.00 0.00 N ATOM 0 H ASN A 72 -7.351 2.858 6.615 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.480 5.659 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.637 5.299 7.791 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.441 4.176 6.460 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.826 2.822 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.671 4.542 9.944 1.00 0.00 H new ATOM 1194 N GLU A 73 -6.468 4.263 9.453 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.940 4.532 10.787 1.00 0.00 C ATOM 1196 C GLU A 73 -4.754 5.492 10.727 1.00 0.00 C ATOM 1197 O GLU A 73 -4.604 6.356 11.591 1.00 0.00 O ATOM 1198 CB GLU A 73 -5.535 3.231 11.481 1.00 0.00 C ATOM 1199 CG GLU A 73 -6.716 2.409 11.971 1.00 0.00 C ATOM 1200 CD GLU A 73 -7.517 3.126 13.038 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.987 3.322 14.151 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -8.683 3.490 12.770 1.00 0.00 O ATOM 0 H GLU A 73 -6.347 3.301 9.138 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.731 5.005 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.946 2.629 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.891 3.466 12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.367 2.175 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.355 1.460 12.368 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.923 5.349 9.699 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.790 6.250 9.510 1.00 0.00 C ATOM 1211 C TYR A 74 -3.274 7.635 9.098 1.00 0.00 C ATOM 1212 O TYR A 74 -2.588 8.636 9.310 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.831 5.713 8.444 1.00 0.00 C ATOM 1214 CG TYR A 74 -1.097 4.455 8.843 1.00 0.00 C ATOM 1215 CD1 TYR A 74 -0.033 4.502 9.734 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.459 3.222 8.318 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.651 3.356 10.090 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.781 2.070 8.670 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.274 2.144 9.556 1.00 0.00 C ATOM 1220 OH TYR A 74 0.958 1.003 9.906 1.00 0.00 O ATOM 0 H TYR A 74 -4.011 4.623 8.988 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.260 6.317 10.460 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.394 5.517 7.532 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.100 6.486 8.207 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.265 5.451 10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.284 3.162 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.477 3.410 10.784 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.075 1.118 8.254 1.00 0.00 H new ATOM 0 HH TYR A 74 1.346 0.595 9.104 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.470 7.682 8.527 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.995 8.922 7.998 1.00 0.00 C ATOM 1232 C GLY A 75 -4.913 8.959 6.488 1.00 0.00 C ATOM 1233 O GLY A 75 -5.092 10.011 5.871 1.00 0.00 O ATOM 0 H GLY A 75 -5.088 6.878 8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.032 9.042 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.438 9.761 8.414 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.643 7.798 5.896 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.501 7.678 4.452 1.00 0.00 C ATOM 1239 C ILE A 76 -5.836 7.918 3.758 1.00 0.00 C ATOM 1240 O ILE A 76 -6.799 7.175 3.962 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.958 6.286 4.058 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.595 6.047 4.713 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.857 6.156 2.545 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.999 4.689 4.407 1.00 0.00 C ATOM 0 H ILE A 76 -4.518 6.921 6.402 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.787 8.436 4.129 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.654 5.528 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.902 6.820 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.698 6.153 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.473 5.169 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.844 6.287 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.182 6.919 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.034 4.594 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.670 3.908 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.863 4.586 3.331 1.00 0.00 H new ATOM 1256 N THR A 77 -5.891 8.966 2.956 1.00 0.00 N ATOM 1257 CA THR A 77 -7.094 9.285 2.214 1.00 0.00 C ATOM 1258 C THR A 77 -6.948 8.831 0.760 1.00 0.00 C ATOM 1259 O THR A 77 -5.975 8.158 0.401 1.00 0.00 O ATOM 1260 CB THR A 77 -7.413 10.799 2.289 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.696 11.075 1.706 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.344 11.626 1.586 1.00 0.00 C ATOM 0 H THR A 77 -5.115 9.610 2.803 1.00 0.00 H new ATOM 0 HA THR A 77 -7.929 8.750 2.666 1.00 0.00 H new ATOM 0 HB THR A 77 -7.429 11.078 3.343 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.882 12.036 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.597 12.684 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.378 11.452 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.290 11.335 0.537 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.913 9.190 -0.069 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.920 8.774 -1.459 1.00 0.00 C ATOM 1272 C GLU A 78 -6.917 9.593 -2.267 1.00 0.00 C ATOM 1273 O GLU A 78 -6.580 10.716 -1.889 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.324 8.922 -2.048 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.577 7.992 -3.217 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.935 8.181 -3.853 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -11.938 8.306 -3.113 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.003 8.185 -5.095 1.00 0.00 O ATOM 0 H GLU A 78 -8.706 9.772 0.200 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.628 7.725 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.061 8.726 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.469 9.952 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.806 8.151 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.484 6.960 -2.878 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.439 9.014 -3.371 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.476 9.671 -4.254 1.00 0.00 C ATOM 1287 C PHE A 79 -4.155 9.908 -3.526 1.00 0.00 C ATOM 1288 O PHE A 79 -3.435 10.866 -3.813 1.00 0.00 O ATOM 1289 CB PHE A 79 -6.039 10.991 -4.793 1.00 0.00 C ATOM 1290 CG PHE A 79 -7.272 10.827 -5.641 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -7.196 10.235 -6.891 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -8.506 11.266 -5.187 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -8.325 10.082 -7.672 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -9.640 11.116 -5.963 1.00 0.00 C ATOM 1295 CZ PHE A 79 -9.548 10.523 -7.207 1.00 0.00 C ATOM 0 H PHE A 79 -6.709 8.079 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.289 9.012 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.272 11.645 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.269 11.490 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.242 9.889 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.582 11.731 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.251 9.618 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -10.596 11.462 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.432 10.404 -7.816 1.00 0.00 H new ATOM 1305 N SER A 80 -3.839 9.015 -2.602 1.00 0.00 N ATOM 1306 CA SER A 80 -2.629 9.116 -1.808 1.00 0.00 C ATOM 1307 C SER A 80 -1.438 8.491 -2.527 1.00 0.00 C ATOM 1308 O SER A 80 -1.590 7.858 -3.575 1.00 0.00 O ATOM 1309 CB SER A 80 -2.855 8.439 -0.458 1.00 0.00 C ATOM 1310 OG SER A 80 -3.553 7.216 -0.619 1.00 0.00 O ATOM 0 H SER A 80 -4.414 8.202 -2.383 1.00 0.00 H new ATOM 0 HA SER A 80 -2.399 10.170 -1.654 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.896 8.255 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.421 9.102 0.196 1.00 0.00 H new ATOM 0 HG SER A 80 -4.476 7.322 -0.306 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.257 8.672 -1.959 1.00 0.00 N ATOM 1317 CA GLU A 81 0.965 8.183 -2.565 1.00 0.00 C ATOM 1318 C GLU A 81 1.667 7.186 -1.654 1.00 0.00 C ATOM 1319 O GLU A 81 2.142 7.544 -0.575 1.00 0.00 O ATOM 1320 CB GLU A 81 1.901 9.348 -2.859 1.00 0.00 C ATOM 1321 CG GLU A 81 1.363 10.318 -3.891 1.00 0.00 C ATOM 1322 CD GLU A 81 2.324 11.453 -4.164 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.603 12.241 -3.234 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.820 11.558 -5.306 1.00 0.00 O ATOM 0 H GLU A 81 -0.121 9.158 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 81 0.703 7.678 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.096 9.888 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.857 8.956 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.162 9.783 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.413 10.724 -3.545 1.00 0.00 H new ATOM 1331 N ILE A 82 1.709 5.935 -2.086 1.00 0.00 N ATOM 1332 CA ILE A 82 2.449 4.905 -1.379 1.00 0.00 C ATOM 1333 C ILE A 82 3.709 4.566 -2.169 1.00 0.00 C ATOM 1334 O ILE A 82 3.652 3.979 -3.254 1.00 0.00 O ATOM 1335 CB ILE A 82 1.600 3.623 -1.122 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.669 3.808 0.088 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.500 2.412 -0.890 1.00 0.00 C ATOM 1338 CD1 ILE A 82 -0.356 4.910 -0.061 1.00 0.00 C ATOM 0 H ILE A 82 1.236 5.609 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 82 2.716 5.297 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 82 0.993 3.451 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.147 2.869 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.278 4.014 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.885 1.530 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.124 2.249 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.135 2.591 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.965 4.964 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.153 5.862 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.995 4.699 -0.918 1.00 0.00 H new ATOM 1350 N VAL A 83 4.842 4.981 -1.636 1.00 0.00 N ATOM 1351 CA VAL A 83 6.119 4.740 -2.276 1.00 0.00 C ATOM 1352 C VAL A 83 6.664 3.391 -1.834 1.00 0.00 C ATOM 1353 O VAL A 83 6.841 3.143 -0.643 1.00 0.00 O ATOM 1354 CB VAL A 83 7.144 5.842 -1.940 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.402 5.675 -2.779 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.535 7.220 -2.147 1.00 0.00 C ATOM 0 H VAL A 83 4.903 5.490 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 83 5.958 4.747 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 83 7.420 5.747 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.114 6.462 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.849 4.702 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.146 5.741 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.273 7.984 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.227 7.329 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.667 7.335 -1.498 1.00 0.00 H new ATOM 1366 N VAL A 84 6.912 2.521 -2.788 1.00 0.00 N ATOM 1367 CA VAL A 84 7.368 1.181 -2.491 1.00 0.00 C ATOM 1368 C VAL A 84 8.886 1.096 -2.570 1.00 0.00 C ATOM 1369 O VAL A 84 9.467 1.087 -3.659 1.00 0.00 O ATOM 1370 CB VAL A 84 6.741 0.158 -3.458 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.211 -1.253 -3.137 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.222 0.243 -3.404 1.00 0.00 C ATOM 0 H VAL A 84 6.805 2.720 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 84 7.052 0.944 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 84 7.067 0.398 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.754 -1.956 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.296 -1.305 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.920 -1.511 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.792 -0.485 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.881 0.030 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.903 1.245 -3.691 1.00 0.00 H new ATOM 1382 N PHE A 85 9.525 1.058 -1.413 1.00 0.00 N ATOM 1383 CA PHE A 85 10.967 0.895 -1.349 1.00 0.00 C ATOM 1384 C PHE A 85 11.318 -0.569 -1.152 1.00 0.00 C ATOM 1385 O PHE A 85 10.886 -1.194 -0.185 1.00 0.00 O ATOM 1386 CB PHE A 85 11.574 1.734 -0.222 1.00 0.00 C ATOM 1387 CG PHE A 85 11.764 3.181 -0.578 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.844 3.578 -1.353 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.875 4.144 -0.132 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.030 4.910 -1.675 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.056 5.476 -0.451 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.134 5.859 -1.223 1.00 0.00 C ATOM 0 H PHE A 85 9.067 1.138 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 85 11.386 1.244 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.931 1.667 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.538 1.308 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.547 2.839 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.030 3.850 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.874 5.208 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.355 6.217 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.277 6.900 -1.473 1.00 0.00 H new ATOM 1402 N LEU A 86 12.093 -1.114 -2.075 1.00 0.00 N ATOM 1403 CA LEU A 86 12.494 -2.507 -2.002 1.00 0.00 C ATOM 1404 C LEU A 86 13.760 -2.625 -1.171 1.00 0.00 C ATOM 1405 O LEU A 86 14.748 -1.937 -1.436 1.00 0.00 O ATOM 1406 CB LEU A 86 12.723 -3.069 -3.405 1.00 0.00 C ATOM 1407 CG LEU A 86 11.593 -2.813 -4.401 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.833 -3.580 -5.691 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.258 -3.187 -3.788 1.00 0.00 C ATOM 0 H LEU A 86 12.457 -0.611 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 86 11.700 -3.085 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.642 -2.641 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.880 -4.145 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 86 11.574 -1.750 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.018 -3.385 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.775 -3.258 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.879 -4.648 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.462 -3.000 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.264 -4.244 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.087 -2.587 -2.894 1.00 0.00 H new ATOM 1421 N LYS A 87 13.727 -3.479 -0.165 1.00 0.00 N ATOM 1422 CA LYS A 87 14.827 -3.576 0.781 1.00 0.00 C ATOM 1423 C LYS A 87 15.542 -4.910 0.644 1.00 0.00 C ATOM 1424 O LYS A 87 14.916 -5.929 0.345 1.00 0.00 O ATOM 1425 CB LYS A 87 14.307 -3.391 2.208 1.00 0.00 C ATOM 1426 CG LYS A 87 13.308 -2.253 2.322 1.00 0.00 C ATOM 1427 CD LYS A 87 13.302 -1.619 3.696 1.00 0.00 C ATOM 1428 CE LYS A 87 12.484 -0.343 3.673 1.00 0.00 C ATOM 1429 NZ LYS A 87 12.520 0.371 4.974 1.00 0.00 N ATOM 0 H LYS A 87 12.952 -4.116 0.020 1.00 0.00 H new ATOM 0 HA LYS A 87 15.544 -2.785 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.838 -4.316 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.147 -3.200 2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.542 -1.493 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.310 -2.627 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.886 -2.315 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.323 -1.401 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.861 0.314 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.451 -0.581 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.318 1.380 4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.804 -0.033 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.462 0.267 5.401 1.00 0.00 H new ATOM 1443 N SER A 88 16.861 -4.883 0.845 1.00 0.00 N ATOM 1444 CA SER A 88 17.694 -6.077 0.767 1.00 0.00 C ATOM 1445 C SER A 88 17.728 -6.632 -0.656 1.00 0.00 C ATOM 1446 O SER A 88 17.928 -7.829 -0.865 1.00 0.00 O ATOM 1447 CB SER A 88 17.184 -7.139 1.749 1.00 0.00 C ATOM 1448 OG SER A 88 17.146 -6.623 3.070 1.00 0.00 O ATOM 0 H SER A 88 17.378 -4.032 1.066 1.00 0.00 H new ATOM 0 HA SER A 88 18.713 -5.803 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.188 -7.467 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.832 -8.015 1.714 1.00 0.00 H new ATOM 0 HG SER A 88 16.817 -7.314 3.682 1.00 0.00 H new ATOM 1454 N ILE A 89 17.563 -5.753 -1.637 1.00 0.00 N ATOM 1455 CA ILE A 89 17.545 -6.178 -3.026 1.00 0.00 C ATOM 1456 C ILE A 89 18.878 -5.895 -3.704 1.00 0.00 C ATOM 1457 O ILE A 89 19.358 -4.759 -3.717 1.00 0.00 O ATOM 1458 CB ILE A 89 16.415 -5.504 -3.834 1.00 0.00 C ATOM 1459 CG1 ILE A 89 16.544 -3.974 -3.791 1.00 0.00 C ATOM 1460 CG2 ILE A 89 15.054 -5.945 -3.312 1.00 0.00 C ATOM 1461 CD1 ILE A 89 15.737 -3.268 -4.859 1.00 0.00 C ATOM 0 H ILE A 89 17.441 -4.750 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 89 17.361 -7.252 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 89 16.506 -5.818 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 89 16.225 -3.618 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 89 17.594 -3.703 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.268 -5.461 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 89 14.961 -7.027 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 89 14.958 -5.663 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 89 15.876 -2.191 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 89 16.071 -3.595 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.681 -3.509 -4.736 1.00 0.00 H new ATOM 1473 N ASN A 90 19.488 -6.931 -4.243 1.00 0.00 N ATOM 1474 CA ASN A 90 20.685 -6.767 -5.042 1.00 0.00 C ATOM 1475 C ASN A 90 20.352 -6.990 -6.507 1.00 0.00 C ATOM 1476 O ASN A 90 20.059 -8.115 -6.916 1.00 0.00 O ATOM 1477 CB ASN A 90 21.782 -7.749 -4.615 1.00 0.00 C ATOM 1478 CG ASN A 90 22.283 -7.515 -3.203 1.00 0.00 C ATOM 1479 OD1 ASN A 90 22.253 -6.396 -2.693 1.00 0.00 O ATOM 1480 ND2 ASN A 90 22.770 -8.570 -2.570 1.00 0.00 N ATOM 0 H ASN A 90 19.174 -7.896 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 90 21.056 -5.753 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 90 21.399 -8.766 -4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 90 22.620 -7.670 -5.308 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.139 -8.472 -1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.777 -9.481 -3.028 1.00 0.00 H new ATOM 1487 N ARG A 91 20.366 -5.919 -7.292 1.00 0.00 N ATOM 1488 CA ARG A 91 20.155 -6.043 -8.723 1.00 0.00 C ATOM 1489 C ARG A 91 21.425 -6.617 -9.338 1.00 0.00 C ATOM 1490 O ARG A 91 22.338 -5.878 -9.708 1.00 0.00 O ATOM 1491 CB ARG A 91 19.805 -4.690 -9.356 1.00 0.00 C ATOM 1492 CG ARG A 91 18.914 -4.814 -10.584 1.00 0.00 C ATOM 1493 CD ARG A 91 17.496 -5.216 -10.194 1.00 0.00 C ATOM 1494 NE ARG A 91 16.670 -5.559 -11.355 1.00 0.00 N ATOM 1495 CZ ARG A 91 15.386 -5.219 -11.493 1.00 0.00 C ATOM 1496 NH1 ARG A 91 14.795 -4.419 -10.609 1.00 0.00 N ATOM 1497 NH2 ARG A 91 14.700 -5.659 -12.543 1.00 0.00 N ATOM 0 H ARG A 91 20.520 -4.966 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 91 19.311 -6.706 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 91 19.305 -4.068 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.726 -4.177 -9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 91 18.892 -3.864 -11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 91 19.331 -5.555 -11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 91 17.537 -6.069 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.027 -4.398 -9.648 1.00 0.00 H new ATOM 0 HE ARG A 91 17.105 -6.093 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.323 -4.058 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.814 -4.167 -10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.155 -6.252 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.719 -5.403 -12.655 1.00 0.00 H new ATOM 1511 N ALA A 92 21.493 -7.939 -9.384 1.00 0.00 N ATOM 1512 CA ALA A 92 22.714 -8.639 -9.743 1.00 0.00 C ATOM 1513 C ALA A 92 22.990 -8.595 -11.238 1.00 0.00 C ATOM 1514 O ALA A 92 22.108 -8.850 -12.060 1.00 0.00 O ATOM 1515 CB ALA A 92 22.644 -10.081 -9.268 1.00 0.00 C ATOM 0 H ALA A 92 20.706 -8.553 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 92 23.539 -8.127 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 92 23.563 -10.599 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 92 22.524 -10.102 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.795 -10.578 -9.737 1.00 0.00 H new ATOM 1521 N LYS A 93 24.223 -8.261 -11.578 1.00 0.00 N ATOM 1522 CA LYS A 93 24.686 -8.333 -12.950 1.00 0.00 C ATOM 1523 C LYS A 93 25.557 -9.568 -13.098 1.00 0.00 C ATOM 1524 O LYS A 93 25.879 -10.224 -12.106 1.00 0.00 O ATOM 1525 CB LYS A 93 25.492 -7.087 -13.343 1.00 0.00 C ATOM 1526 CG LYS A 93 24.720 -5.775 -13.261 1.00 0.00 C ATOM 1527 CD LYS A 93 24.682 -5.218 -11.842 1.00 0.00 C ATOM 1528 CE LYS A 93 26.076 -4.882 -11.333 1.00 0.00 C ATOM 1529 NZ LYS A 93 26.740 -3.833 -12.153 1.00 0.00 N ATOM 0 H LYS A 93 24.926 -7.935 -10.915 1.00 0.00 H new ATOM 0 HA LYS A 93 23.820 -8.386 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 93 26.367 -7.019 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 93 25.858 -7.214 -14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 93 25.179 -5.043 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 93 23.701 -5.932 -13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 93 24.060 -4.323 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 93 24.217 -5.946 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 93 26.011 -4.544 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.688 -5.784 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 27.599 -3.505 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 26.996 -4.228 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 26.090 -3.032 -12.285 1.00 0.00 H new ATOM 1543 N ASP A 94 25.946 -9.886 -14.317 1.00 0.00 N ATOM 1544 CA ASP A 94 26.796 -11.037 -14.548 1.00 0.00 C ATOM 1545 C ASP A 94 27.947 -10.637 -15.449 1.00 0.00 C ATOM 1546 O ASP A 94 27.899 -10.952 -16.656 1.00 0.00 O ATOM 1547 CB ASP A 94 26.011 -12.193 -15.181 1.00 0.00 C ATOM 1548 CG ASP A 94 24.824 -12.631 -14.351 1.00 0.00 C ATOM 1549 OD1 ASP A 94 25.002 -13.453 -13.429 1.00 0.00 O ATOM 1550 OD2 ASP A 94 23.701 -12.154 -14.620 1.00 0.00 O ATOM 1551 OXT ASP A 94 28.879 -9.977 -14.956 1.00 0.00 O ATOM 0 H ASP A 94 25.689 -9.368 -15.157 1.00 0.00 H new ATOM 0 HA ASP A 94 27.180 -11.382 -13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 94 25.664 -11.890 -16.169 1.00 0.00 H new ATOM 0 HB3 ASP A 94 26.679 -13.042 -15.324 1.00 0.00 H new TER 1556 ASP A 94