USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 0.894 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.158 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 29:sc= 1.22 USER MOD Single : A 17 THR OG1 : rot 70:sc= 0.803 USER MOD Single : A 20 LYS NZ :NH3+ -148:sc= -1.92! (180deg=-2.95!) USER MOD Single : A 21 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 25 TYR OH : rot -165:sc= -1.22 USER MOD Single : A 27 CYS SG : rot 66:sc= 0.731 USER MOD Single : A 29 CYS SG : rot 111:sc= 0.0107 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -103:sc= -0.433 (180deg=-1.98!) USER MOD Single : A 37 SER OG : rot -56:sc=0.000429 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 16:sc= 0.0814 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -162:sc= -3.13 (180deg=-3.61) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 57 GLN : amide:sc=-0.00844 K(o=-0.0084,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-9.5!) USER MOD Single : A 70 ASN : amide:sc= -0.817 K(o=-0.82,f=0) USER MOD Single : A 71 TYR OH : rot 14:sc= 0.306 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.5! K(o=-2.5!,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.837 37.687 -14.276 1.00 0.00 N ATOM 2 CA GLY A 1 -6.144 37.254 -14.733 1.00 0.00 C ATOM 3 C GLY A 1 -6.308 35.748 -14.677 1.00 0.00 C ATOM 4 O GLY A 1 -7.316 35.244 -14.181 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.775 38.724 -14.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.697 37.386 -13.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.101 37.262 -14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.914 37.723 -14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.299 37.596 -15.756 1.00 0.00 H new ATOM 8 N SER A 2 -5.316 35.026 -15.189 1.00 0.00 N ATOM 9 CA SER A 2 -5.358 33.568 -15.200 1.00 0.00 C ATOM 10 C SER A 2 -4.092 32.984 -14.580 1.00 0.00 C ATOM 11 O SER A 2 -3.149 33.711 -14.266 1.00 0.00 O ATOM 12 CB SER A 2 -5.523 33.053 -16.631 1.00 0.00 C ATOM 13 OG SER A 2 -4.398 33.386 -17.426 1.00 0.00 O ATOM 0 H SER A 2 -4.474 35.427 -15.602 1.00 0.00 H new ATOM 0 HA SER A 2 -6.214 33.249 -14.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.656 31.971 -16.618 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.424 33.480 -17.073 1.00 0.00 H new ATOM 0 HG SER A 2 -4.527 33.044 -18.335 1.00 0.00 H new ATOM 19 N SER A 3 -4.080 31.666 -14.407 1.00 0.00 N ATOM 20 CA SER A 3 -2.933 30.983 -13.820 1.00 0.00 C ATOM 21 C SER A 3 -1.899 30.641 -14.889 1.00 0.00 C ATOM 22 O SER A 3 -2.117 29.760 -15.721 1.00 0.00 O ATOM 23 CB SER A 3 -3.382 29.709 -13.103 1.00 0.00 C ATOM 24 OG SER A 3 -3.901 28.763 -14.022 1.00 0.00 O ATOM 0 H SER A 3 -4.851 31.050 -14.665 1.00 0.00 H new ATOM 0 HA SER A 3 -2.473 31.655 -13.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.539 29.274 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.141 29.954 -12.361 1.00 0.00 H new ATOM 0 HG SER A 3 -3.596 28.984 -14.927 1.00 0.00 H new ATOM 30 N GLY A 4 -0.772 31.346 -14.861 1.00 0.00 N ATOM 31 CA GLY A 4 0.279 31.104 -15.832 1.00 0.00 C ATOM 32 C GLY A 4 1.469 30.381 -15.231 1.00 0.00 C ATOM 33 O GLY A 4 1.472 29.155 -15.130 1.00 0.00 O ATOM 0 H GLY A 4 -0.568 32.080 -14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.121 30.515 -16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.609 32.055 -16.250 1.00 0.00 H new ATOM 37 N SER A 5 2.483 31.143 -14.833 1.00 0.00 N ATOM 38 CA SER A 5 3.686 30.568 -14.243 1.00 0.00 C ATOM 39 C SER A 5 3.392 29.989 -12.863 1.00 0.00 C ATOM 40 O SER A 5 2.975 30.707 -11.953 1.00 0.00 O ATOM 41 CB SER A 5 4.786 31.626 -14.142 1.00 0.00 C ATOM 42 OG SER A 5 5.096 32.163 -15.416 1.00 0.00 O ATOM 0 H SER A 5 2.495 32.160 -14.909 1.00 0.00 H new ATOM 0 HA SER A 5 4.027 29.760 -14.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.465 32.426 -13.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.680 31.184 -13.703 1.00 0.00 H new ATOM 0 HG SER A 5 5.800 32.838 -15.324 1.00 0.00 H new ATOM 48 N SER A 6 3.610 28.686 -12.715 1.00 0.00 N ATOM 49 CA SER A 6 3.366 28.009 -11.447 1.00 0.00 C ATOM 50 C SER A 6 4.513 28.252 -10.471 1.00 0.00 C ATOM 51 O SER A 6 4.297 28.674 -9.335 1.00 0.00 O ATOM 52 CB SER A 6 3.184 26.507 -11.675 1.00 0.00 C ATOM 53 OG SER A 6 4.340 25.936 -12.259 1.00 0.00 O ATOM 0 H SER A 6 3.955 28.078 -13.458 1.00 0.00 H new ATOM 0 HA SER A 6 2.453 28.418 -11.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.972 26.015 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.324 26.336 -12.322 1.00 0.00 H new ATOM 0 HG SER A 6 4.199 24.976 -12.393 1.00 0.00 H new ATOM 59 N GLY A 7 5.734 27.984 -10.923 1.00 0.00 N ATOM 60 CA GLY A 7 6.898 28.178 -10.079 1.00 0.00 C ATOM 61 C GLY A 7 8.001 28.945 -10.781 1.00 0.00 C ATOM 62 O GLY A 7 7.787 30.060 -11.254 1.00 0.00 O ATOM 0 H GLY A 7 5.938 27.636 -11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.604 28.715 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.279 27.207 -9.762 1.00 0.00 H new ATOM 66 N MET A 8 9.186 28.346 -10.846 1.00 0.00 N ATOM 67 CA MET A 8 10.328 28.981 -11.494 1.00 0.00 C ATOM 68 C MET A 8 10.687 30.290 -10.801 1.00 0.00 C ATOM 69 O MET A 8 10.809 31.331 -11.446 1.00 0.00 O ATOM 70 CB MET A 8 10.025 29.237 -12.971 1.00 0.00 C ATOM 71 CG MET A 8 10.345 28.055 -13.872 1.00 0.00 C ATOM 72 SD MET A 8 9.161 26.707 -13.696 1.00 0.00 S ATOM 73 CE MET A 8 8.691 26.445 -15.404 1.00 0.00 C ATOM 0 H MET A 8 9.380 27.423 -10.458 1.00 0.00 H new ATOM 0 HA MET A 8 11.180 28.306 -11.418 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.970 29.490 -13.078 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.596 30.103 -13.306 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.359 28.388 -14.910 1.00 0.00 H new ATOM 0 HG3 MET A 8 11.345 27.688 -13.641 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.960 25.638 -15.461 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.254 27.359 -15.806 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.572 26.178 -15.987 1.00 0.00 H new ATOM 83 N SER A 9 10.856 30.231 -9.484 1.00 0.00 N ATOM 84 CA SER A 9 11.197 31.415 -8.703 1.00 0.00 C ATOM 85 C SER A 9 11.660 31.027 -7.301 1.00 0.00 C ATOM 86 O SER A 9 11.639 29.852 -6.932 1.00 0.00 O ATOM 87 CB SER A 9 9.995 32.357 -8.613 1.00 0.00 C ATOM 88 OG SER A 9 9.901 33.174 -9.767 1.00 0.00 O ATOM 0 H SER A 9 10.762 29.376 -8.935 1.00 0.00 H new ATOM 0 HA SER A 9 12.015 31.929 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.080 31.775 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.086 32.984 -7.726 1.00 0.00 H new ATOM 0 HG SER A 9 10.278 32.698 -10.536 1.00 0.00 H new ATOM 94 N VAL A 10 12.076 32.022 -6.526 1.00 0.00 N ATOM 95 CA VAL A 10 12.542 31.787 -5.165 1.00 0.00 C ATOM 96 C VAL A 10 11.443 31.171 -4.306 1.00 0.00 C ATOM 97 O VAL A 10 11.684 30.225 -3.555 1.00 0.00 O ATOM 98 CB VAL A 10 13.025 33.091 -4.503 1.00 0.00 C ATOM 99 CG1 VAL A 10 11.935 34.151 -4.554 1.00 0.00 C ATOM 100 CG2 VAL A 10 13.461 32.832 -3.069 1.00 0.00 C ATOM 0 H VAL A 10 12.100 32.999 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 10 13.379 31.092 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 10 13.886 33.462 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.294 35.065 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.676 34.357 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.053 33.791 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.799 33.765 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.620 32.437 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.277 32.109 -3.062 1.00 0.00 H new ATOM 110 N ASP A 11 10.236 31.712 -4.422 1.00 0.00 N ATOM 111 CA ASP A 11 9.098 31.215 -3.657 1.00 0.00 C ATOM 112 C ASP A 11 8.506 29.972 -4.312 1.00 0.00 C ATOM 113 O ASP A 11 7.743 29.233 -3.689 1.00 0.00 O ATOM 114 CB ASP A 11 8.028 32.301 -3.532 1.00 0.00 C ATOM 115 CG ASP A 11 7.839 33.079 -4.819 1.00 0.00 C ATOM 116 OD1 ASP A 11 8.793 33.763 -5.245 1.00 0.00 O ATOM 117 OD2 ASP A 11 6.737 33.004 -5.401 1.00 0.00 O ATOM 0 H ASP A 11 10.020 32.495 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 11 9.449 30.946 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.081 31.843 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.304 32.989 -2.733 1.00 0.00 H new ATOM 122 N ALA A 12 8.860 29.747 -5.574 1.00 0.00 N ATOM 123 CA ALA A 12 8.363 28.593 -6.313 1.00 0.00 C ATOM 124 C ALA A 12 8.652 27.296 -5.563 1.00 0.00 C ATOM 125 O ALA A 12 7.851 26.362 -5.589 1.00 0.00 O ATOM 126 CB ALA A 12 8.980 28.552 -7.703 1.00 0.00 C ATOM 0 H ALA A 12 9.489 30.349 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 12 7.282 28.692 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.600 27.685 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.718 29.461 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.064 28.480 -7.618 1.00 0.00 H new ATOM 132 N VAL A 13 9.801 27.246 -4.898 1.00 0.00 N ATOM 133 CA VAL A 13 10.196 26.064 -4.142 1.00 0.00 C ATOM 134 C VAL A 13 9.205 25.774 -3.019 1.00 0.00 C ATOM 135 O VAL A 13 8.887 24.618 -2.743 1.00 0.00 O ATOM 136 CB VAL A 13 11.604 26.227 -3.539 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.670 27.469 -2.663 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.992 24.987 -2.750 1.00 0.00 C ATOM 0 H VAL A 13 10.475 28.011 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 13 10.203 25.229 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 13 12.317 26.349 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.672 27.567 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.438 28.350 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.947 27.381 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.990 25.120 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.277 24.831 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.988 24.120 -3.410 1.00 0.00 H new ATOM 148 N GLU A 14 8.722 26.832 -2.376 1.00 0.00 N ATOM 149 CA GLU A 14 7.767 26.690 -1.282 1.00 0.00 C ATOM 150 C GLU A 14 6.517 25.948 -1.745 1.00 0.00 C ATOM 151 O GLU A 14 6.270 24.812 -1.339 1.00 0.00 O ATOM 152 CB GLU A 14 7.383 28.064 -0.729 1.00 0.00 C ATOM 153 CG GLU A 14 6.452 27.999 0.469 1.00 0.00 C ATOM 154 CD GLU A 14 5.036 27.612 0.087 1.00 0.00 C ATOM 155 OE1 GLU A 14 4.746 26.400 0.029 1.00 0.00 O ATOM 156 OE2 GLU A 14 4.218 28.525 -0.154 1.00 0.00 O ATOM 0 H GLU A 14 8.975 27.796 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 14 8.242 26.109 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.290 28.598 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.905 28.644 -1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.841 27.277 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.438 28.969 0.967 1.00 0.00 H new ATOM 163 N ILE A 15 5.731 26.599 -2.597 1.00 0.00 N ATOM 164 CA ILE A 15 4.507 26.002 -3.116 1.00 0.00 C ATOM 165 C ILE A 15 4.745 24.565 -3.566 1.00 0.00 C ATOM 166 O ILE A 15 3.854 23.720 -3.473 1.00 0.00 O ATOM 167 CB ILE A 15 3.942 26.812 -4.298 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.421 26.667 -4.363 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.580 26.359 -5.602 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.771 27.567 -5.391 1.00 0.00 C ATOM 0 H ILE A 15 5.921 27.540 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 15 3.782 26.010 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 15 4.181 27.865 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.172 25.630 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.001 26.887 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.171 26.940 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.658 26.510 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.369 25.302 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.692 27.411 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.989 28.608 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.163 27.332 -6.380 1.00 0.00 H new ATOM 182 N GLU A 16 5.952 24.294 -4.052 1.00 0.00 N ATOM 183 CA GLU A 16 6.306 22.958 -4.515 1.00 0.00 C ATOM 184 C GLU A 16 6.550 22.020 -3.336 1.00 0.00 C ATOM 185 O GLU A 16 6.193 20.842 -3.380 1.00 0.00 O ATOM 186 CB GLU A 16 7.552 23.014 -5.402 1.00 0.00 C ATOM 187 CG GLU A 16 7.366 23.846 -6.660 1.00 0.00 C ATOM 188 CD GLU A 16 6.800 23.040 -7.813 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.570 22.284 -8.442 1.00 0.00 O ATOM 190 OE2 GLU A 16 5.588 23.165 -8.087 1.00 0.00 O ATOM 0 H GLU A 16 6.701 24.982 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 16 5.471 22.571 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.381 23.424 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.832 21.999 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.700 24.681 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.325 24.271 -6.955 1.00 0.00 H new ATOM 197 N THR A 17 7.162 22.550 -2.282 1.00 0.00 N ATOM 198 CA THR A 17 7.455 21.763 -1.092 1.00 0.00 C ATOM 199 C THR A 17 6.175 21.347 -0.378 1.00 0.00 C ATOM 200 O THR A 17 6.077 20.237 0.148 1.00 0.00 O ATOM 201 CB THR A 17 8.348 22.541 -0.108 1.00 0.00 C ATOM 202 OG1 THR A 17 9.636 22.772 -0.691 1.00 0.00 O ATOM 203 CG2 THR A 17 8.507 21.780 1.199 1.00 0.00 C ATOM 0 H THR A 17 7.465 23.523 -2.229 1.00 0.00 H new ATOM 0 HA THR A 17 7.987 20.872 -1.427 1.00 0.00 H new ATOM 0 HB THR A 17 7.868 23.497 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.552 23.416 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.142 22.350 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.528 21.633 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.965 20.811 1.002 1.00 0.00 H new ATOM 211 N LEU A 18 5.194 22.242 -0.363 1.00 0.00 N ATOM 212 CA LEU A 18 3.917 21.967 0.287 1.00 0.00 C ATOM 213 C LEU A 18 3.221 20.775 -0.362 1.00 0.00 C ATOM 214 O LEU A 18 2.643 19.932 0.324 1.00 0.00 O ATOM 215 CB LEU A 18 3.012 23.199 0.218 1.00 0.00 C ATOM 216 CG LEU A 18 3.225 24.249 1.310 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.263 25.413 1.126 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.057 23.628 2.688 1.00 0.00 C ATOM 0 H LEU A 18 5.258 23.165 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 18 4.114 21.725 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.156 23.677 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.975 22.866 0.259 1.00 0.00 H new ATOM 0 HG LEU A 18 4.243 24.629 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.429 26.150 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.433 25.875 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.237 25.049 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.212 24.390 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.051 23.219 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.787 22.829 2.819 1.00 0.00 H new ATOM 230 N ARG A 19 3.281 20.710 -1.688 1.00 0.00 N ATOM 231 CA ARG A 19 2.659 19.621 -2.430 1.00 0.00 C ATOM 232 C ARG A 19 3.305 18.285 -2.078 1.00 0.00 C ATOM 233 O ARG A 19 2.616 17.293 -1.838 1.00 0.00 O ATOM 234 CB ARG A 19 2.769 19.872 -3.935 1.00 0.00 C ATOM 235 CG ARG A 19 1.840 20.965 -4.439 1.00 0.00 C ATOM 236 CD ARG A 19 2.120 21.306 -5.895 1.00 0.00 C ATOM 237 NE ARG A 19 1.473 22.551 -6.300 1.00 0.00 N ATOM 238 CZ ARG A 19 1.293 22.907 -7.567 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.711 22.117 -8.546 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.695 24.056 -7.856 1.00 0.00 N ATOM 0 H ARG A 19 3.755 21.400 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 19 1.606 19.581 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.797 20.141 -4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.549 18.946 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.804 20.642 -4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.960 21.858 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.196 21.391 -6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.771 20.493 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 19 1.141 23.182 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.172 21.234 -8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.572 22.392 -9.518 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.373 24.667 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.557 24.329 -8.829 1.00 0.00 H new ATOM 254 N LYS A 20 4.633 18.264 -2.050 1.00 0.00 N ATOM 255 CA LYS A 20 5.374 17.052 -1.727 1.00 0.00 C ATOM 256 C LYS A 20 5.133 16.636 -0.279 1.00 0.00 C ATOM 257 O LYS A 20 4.905 15.461 0.013 1.00 0.00 O ATOM 258 CB LYS A 20 6.871 17.264 -1.965 1.00 0.00 C ATOM 259 CG LYS A 20 7.329 16.854 -3.354 1.00 0.00 C ATOM 260 CD LYS A 20 7.276 18.020 -4.326 1.00 0.00 C ATOM 261 CE LYS A 20 8.612 18.745 -4.400 1.00 0.00 C ATOM 262 NZ LYS A 20 8.819 19.647 -3.234 1.00 0.00 N ATOM 0 H LYS A 20 5.219 19.075 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 20 5.018 16.255 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.110 18.316 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.433 16.696 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.347 16.468 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.699 16.044 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.002 17.657 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.498 18.718 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.420 18.014 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.659 19.326 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.382 20.471 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.897 19.968 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.323 19.133 -2.483 1.00 0.00 H new ATOM 276 N THR A 21 5.185 17.608 0.628 1.00 0.00 N ATOM 277 CA THR A 21 4.972 17.344 2.045 1.00 0.00 C ATOM 278 C THR A 21 3.654 16.614 2.277 1.00 0.00 C ATOM 279 O THR A 21 3.602 15.622 3.003 1.00 0.00 O ATOM 280 CB THR A 21 4.976 18.647 2.866 1.00 0.00 C ATOM 281 OG1 THR A 21 6.243 19.301 2.741 1.00 0.00 O ATOM 282 CG2 THR A 21 4.687 18.363 4.333 1.00 0.00 C ATOM 0 H THR A 21 5.373 18.585 0.405 1.00 0.00 H new ATOM 0 HA THR A 21 5.796 16.712 2.376 1.00 0.00 H new ATOM 0 HB THR A 21 4.193 19.298 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.324 19.689 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.695 19.298 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.708 17.892 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.450 17.695 4.732 1.00 0.00 H new ATOM 290 N VAL A 22 2.591 17.111 1.653 1.00 0.00 N ATOM 291 CA VAL A 22 1.272 16.505 1.790 1.00 0.00 C ATOM 292 C VAL A 22 1.221 15.140 1.112 1.00 0.00 C ATOM 293 O VAL A 22 0.569 14.218 1.599 1.00 0.00 O ATOM 294 CB VAL A 22 0.175 17.405 1.191 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.195 16.766 1.365 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.213 18.786 1.828 1.00 0.00 C ATOM 0 H VAL A 22 2.617 17.932 1.048 1.00 0.00 H new ATOM 0 HA VAL A 22 1.089 16.384 2.858 1.00 0.00 H new ATOM 0 HB VAL A 22 0.364 17.517 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.957 17.416 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.214 15.801 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.397 16.622 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.569 19.409 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.050 18.696 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.185 19.244 1.646 1.00 0.00 H new ATOM 306 N GLU A 23 1.914 15.020 -0.016 1.00 0.00 N ATOM 307 CA GLU A 23 1.947 13.768 -0.763 1.00 0.00 C ATOM 308 C GLU A 23 2.357 12.608 0.140 1.00 0.00 C ATOM 309 O GLU A 23 1.752 11.536 0.104 1.00 0.00 O ATOM 310 CB GLU A 23 2.915 13.876 -1.942 1.00 0.00 C ATOM 311 CG GLU A 23 2.275 14.426 -3.206 1.00 0.00 C ATOM 312 CD GLU A 23 3.146 14.235 -4.432 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.376 13.069 -4.820 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.600 15.248 -5.003 1.00 0.00 O ATOM 0 H GLU A 23 2.460 15.774 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 23 0.944 13.575 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.750 14.517 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.328 12.890 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.316 13.934 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.070 15.488 -3.072 1.00 0.00 H new ATOM 321 N ASP A 24 3.387 12.831 0.949 1.00 0.00 N ATOM 322 CA ASP A 24 3.878 11.804 1.862 1.00 0.00 C ATOM 323 C ASP A 24 2.846 11.502 2.944 1.00 0.00 C ATOM 324 O ASP A 24 2.547 10.341 3.223 1.00 0.00 O ATOM 325 CB ASP A 24 5.193 12.249 2.503 1.00 0.00 C ATOM 326 CG ASP A 24 6.101 11.081 2.833 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.181 10.143 2.012 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.732 11.106 3.910 1.00 0.00 O ATOM 0 H ASP A 24 3.898 13.713 0.992 1.00 0.00 H new ATOM 0 HA ASP A 24 4.053 10.894 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.712 12.929 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.979 12.808 3.414 1.00 0.00 H new ATOM 333 N TYR A 25 2.307 12.553 3.551 1.00 0.00 N ATOM 334 CA TYR A 25 1.312 12.400 4.606 1.00 0.00 C ATOM 335 C TYR A 25 0.259 11.368 4.216 1.00 0.00 C ATOM 336 O TYR A 25 0.061 10.372 4.912 1.00 0.00 O ATOM 337 CB TYR A 25 0.642 13.742 4.902 1.00 0.00 C ATOM 338 CG TYR A 25 0.095 13.849 6.308 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.940 14.078 7.387 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.265 13.720 6.558 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.445 14.176 8.673 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.769 13.818 7.840 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.910 14.046 8.894 1.00 0.00 C ATOM 344 OH TYR A 25 -1.407 14.142 10.175 1.00 0.00 O ATOM 0 H TYR A 25 2.542 13.521 3.331 1.00 0.00 H new ATOM 0 HA TYR A 25 1.822 12.050 5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.364 14.542 4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.171 13.897 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.002 14.181 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.941 13.540 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.116 14.353 9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.830 13.717 8.016 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.323 13.795 10.197 1.00 0.00 H new ATOM 354 N PHE A 26 -0.414 11.613 3.096 1.00 0.00 N ATOM 355 CA PHE A 26 -1.447 10.706 2.611 1.00 0.00 C ATOM 356 C PHE A 26 -0.937 9.269 2.574 1.00 0.00 C ATOM 357 O PHE A 26 -1.657 8.334 2.929 1.00 0.00 O ATOM 358 CB PHE A 26 -1.914 11.129 1.216 1.00 0.00 C ATOM 359 CG PHE A 26 -2.693 12.414 1.209 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.720 12.622 2.115 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.398 13.412 0.294 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.438 13.802 2.111 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.114 14.595 0.286 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.135 14.790 1.194 1.00 0.00 C ATOM 0 H PHE A 26 -0.262 12.432 2.508 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.290 10.756 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.045 11.237 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.531 10.337 0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.962 11.852 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.601 13.264 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.235 13.952 2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.874 15.366 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.696 15.713 1.188 1.00 0.00 H new ATOM 374 N CYS A 27 0.309 9.101 2.144 1.00 0.00 N ATOM 375 CA CYS A 27 0.916 7.778 2.059 1.00 0.00 C ATOM 376 C CYS A 27 1.077 7.164 3.446 1.00 0.00 C ATOM 377 O CYS A 27 0.855 5.968 3.637 1.00 0.00 O ATOM 378 CB CYS A 27 2.276 7.862 1.364 1.00 0.00 C ATOM 379 SG CYS A 27 2.209 8.540 -0.311 1.00 0.00 S ATOM 0 H CYS A 27 0.918 9.864 1.849 1.00 0.00 H new ATOM 0 HA CYS A 27 0.256 7.139 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.943 8.478 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.713 6.864 1.323 1.00 0.00 H new ATOM 0 HG CYS A 27 1.847 9.787 -0.260 1.00 0.00 H new ATOM 385 N PHE A 28 1.467 7.989 4.411 1.00 0.00 N ATOM 386 CA PHE A 28 1.660 7.527 5.781 1.00 0.00 C ATOM 387 C PHE A 28 0.348 7.028 6.377 1.00 0.00 C ATOM 388 O PHE A 28 0.242 5.873 6.792 1.00 0.00 O ATOM 389 CB PHE A 28 2.231 8.654 6.646 1.00 0.00 C ATOM 390 CG PHE A 28 1.890 8.521 8.102 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.107 7.329 8.773 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.352 9.590 8.801 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.794 7.205 10.114 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.038 9.473 10.141 1.00 0.00 C ATOM 395 CZ PHE A 28 1.258 8.277 10.799 1.00 0.00 C ATOM 0 H PHE A 28 1.656 8.981 4.270 1.00 0.00 H new ATOM 0 HA PHE A 28 2.368 6.698 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.315 8.673 6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.856 9.609 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.526 6.487 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.176 10.526 8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.969 6.270 10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.621 10.315 10.674 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.011 8.182 11.846 1.00 0.00 H new ATOM 405 N CYS A 29 -0.649 7.905 6.416 1.00 0.00 N ATOM 406 CA CYS A 29 -1.955 7.555 6.962 1.00 0.00 C ATOM 407 C CYS A 29 -2.488 6.278 6.320 1.00 0.00 C ATOM 408 O CYS A 29 -3.069 5.427 6.995 1.00 0.00 O ATOM 409 CB CYS A 29 -2.945 8.700 6.748 1.00 0.00 C ATOM 410 SG CYS A 29 -2.438 10.265 7.500 1.00 0.00 S ATOM 0 H CYS A 29 -0.578 8.864 6.076 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.839 7.381 8.032 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.083 8.852 5.677 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.913 8.410 7.156 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.132 11.116 6.566 1.00 0.00 H new ATOM 416 N TYR A 30 -2.291 6.153 5.013 1.00 0.00 N ATOM 417 CA TYR A 30 -2.756 4.983 4.278 1.00 0.00 C ATOM 418 C TYR A 30 -1.997 3.732 4.711 1.00 0.00 C ATOM 419 O TYR A 30 -2.578 2.804 5.274 1.00 0.00 O ATOM 420 CB TYR A 30 -2.588 5.199 2.774 1.00 0.00 C ATOM 421 CG TYR A 30 -3.050 4.026 1.938 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.253 3.385 2.209 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.282 3.558 0.879 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.678 2.314 1.448 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.700 2.488 0.112 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.899 1.868 0.401 1.00 0.00 C ATOM 427 OH TYR A 30 -4.318 0.801 -0.360 1.00 0.00 O ATOM 0 H TYR A 30 -1.812 6.848 4.440 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.813 4.841 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.146 6.087 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.538 5.396 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.866 3.730 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.342 4.039 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.616 1.828 1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.092 2.138 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.654 0.616 -1.057 1.00 0.00 H new ATOM 437 N GLY A 31 -0.695 3.714 4.445 1.00 0.00 N ATOM 438 CA GLY A 31 0.122 2.573 4.813 1.00 0.00 C ATOM 439 C GLY A 31 0.111 2.310 6.305 1.00 0.00 C ATOM 440 O GLY A 31 0.396 1.197 6.750 1.00 0.00 O ATOM 0 H GLY A 31 -0.191 4.470 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.238 1.688 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.147 2.743 4.485 1.00 0.00 H new ATOM 444 N LYS A 32 -0.219 3.336 7.083 1.00 0.00 N ATOM 445 CA LYS A 32 -0.266 3.210 8.535 1.00 0.00 C ATOM 446 C LYS A 32 -1.498 2.425 8.974 1.00 0.00 C ATOM 447 O LYS A 32 -1.426 1.592 9.877 1.00 0.00 O ATOM 448 CB LYS A 32 -0.273 4.595 9.187 1.00 0.00 C ATOM 449 CG LYS A 32 -0.825 4.599 10.602 1.00 0.00 C ATOM 450 CD LYS A 32 -2.337 4.751 10.610 1.00 0.00 C ATOM 451 CE LYS A 32 -2.822 5.435 11.879 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.188 4.987 12.263 1.00 0.00 N ATOM 0 H LYS A 32 -0.458 4.264 6.732 1.00 0.00 H new ATOM 0 HA LYS A 32 0.623 2.667 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.745 4.985 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.866 5.273 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.549 3.672 11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.373 5.414 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.650 5.330 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.803 3.769 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.128 5.224 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.822 6.515 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.482 5.476 13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.855 5.211 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.183 3.960 12.428 1.00 0.00 H new ATOM 466 N ALA A 33 -2.628 2.695 8.327 1.00 0.00 N ATOM 467 CA ALA A 33 -3.874 2.010 8.649 1.00 0.00 C ATOM 468 C ALA A 33 -3.846 0.563 8.167 1.00 0.00 C ATOM 469 O ALA A 33 -4.515 -0.302 8.732 1.00 0.00 O ATOM 470 CB ALA A 33 -5.054 2.749 8.036 1.00 0.00 C ATOM 0 H ALA A 33 -2.706 3.383 7.578 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.986 2.002 9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.978 2.227 8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.093 3.764 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.937 2.786 6.953 1.00 0.00 H new ATOM 476 N LEU A 34 -3.066 0.308 7.122 1.00 0.00 N ATOM 477 CA LEU A 34 -2.951 -1.035 6.565 1.00 0.00 C ATOM 478 C LEU A 34 -2.311 -1.989 7.569 1.00 0.00 C ATOM 479 O LEU A 34 -2.615 -3.180 7.590 1.00 0.00 O ATOM 480 CB LEU A 34 -2.127 -1.005 5.277 1.00 0.00 C ATOM 481 CG LEU A 34 -2.910 -0.774 3.983 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.967 -0.420 2.844 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.735 -2.003 3.634 1.00 0.00 C ATOM 0 H LEU A 34 -2.505 1.013 6.644 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.955 -1.395 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.376 -0.220 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.592 -1.950 5.190 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.590 0.064 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.542 -0.259 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.421 0.490 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.261 -1.236 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.286 -1.822 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.074 -2.859 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.438 -2.211 4.441 1.00 0.00 H new ATOM 495 N GLY A 35 -1.424 -1.454 8.403 1.00 0.00 N ATOM 496 CA GLY A 35 -0.757 -2.271 9.399 1.00 0.00 C ATOM 497 C GLY A 35 0.629 -2.703 8.962 1.00 0.00 C ATOM 498 O GLY A 35 1.145 -3.721 9.425 1.00 0.00 O ATOM 0 H GLY A 35 -1.156 -0.470 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.683 -1.712 10.332 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.362 -3.154 9.604 1.00 0.00 H new ATOM 502 N LYS A 36 1.232 -1.931 8.066 1.00 0.00 N ATOM 503 CA LYS A 36 2.566 -2.239 7.564 1.00 0.00 C ATOM 504 C LYS A 36 3.633 -1.489 8.359 1.00 0.00 C ATOM 505 O LYS A 36 3.319 -0.741 9.284 1.00 0.00 O ATOM 506 CB LYS A 36 2.673 -1.876 6.081 1.00 0.00 C ATOM 507 CG LYS A 36 1.506 -2.379 5.248 1.00 0.00 C ATOM 508 CD LYS A 36 1.952 -2.788 3.853 1.00 0.00 C ATOM 509 CE LYS A 36 2.052 -1.587 2.926 1.00 0.00 C ATOM 510 NZ LYS A 36 2.759 -1.922 1.659 1.00 0.00 N ATOM 0 H LYS A 36 0.818 -1.086 7.672 1.00 0.00 H new ATOM 0 HA LYS A 36 2.733 -3.310 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.738 -0.792 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.599 -2.288 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.042 -3.230 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.747 -1.600 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.920 -3.286 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.246 -3.509 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.051 -1.220 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.579 -0.779 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.730 -1.552 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.786 -2.955 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.255 -1.493 0.857 1.00 0.00 H new ATOM 524 N SER A 37 4.893 -1.696 7.989 1.00 0.00 N ATOM 525 CA SER A 37 6.004 -1.041 8.668 1.00 0.00 C ATOM 526 C SER A 37 6.645 0.013 7.771 1.00 0.00 C ATOM 527 O SER A 37 7.798 0.399 7.971 1.00 0.00 O ATOM 528 CB SER A 37 7.052 -2.075 9.089 1.00 0.00 C ATOM 529 OG SER A 37 7.783 -1.629 10.219 1.00 0.00 O ATOM 0 H SER A 37 5.169 -2.311 7.224 1.00 0.00 H new ATOM 0 HA SER A 37 5.613 -0.546 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.562 -3.021 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.735 -2.263 8.261 1.00 0.00 H new ATOM 0 HG SER A 37 8.192 -0.761 10.022 1.00 0.00 H new ATOM 535 N THR A 38 5.890 0.475 6.779 1.00 0.00 N ATOM 536 CA THR A 38 6.383 1.483 5.849 1.00 0.00 C ATOM 537 C THR A 38 5.233 2.268 5.228 1.00 0.00 C ATOM 538 O THR A 38 4.063 1.958 5.456 1.00 0.00 O ATOM 539 CB THR A 38 7.222 0.848 4.724 1.00 0.00 C ATOM 540 OG1 THR A 38 6.439 -0.119 4.016 1.00 0.00 O ATOM 541 CG2 THR A 38 8.469 0.183 5.288 1.00 0.00 C ATOM 0 H THR A 38 4.934 0.167 6.599 1.00 0.00 H new ATOM 0 HA THR A 38 7.014 2.161 6.424 1.00 0.00 H new ATOM 0 HB THR A 38 7.529 1.639 4.039 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.979 -0.517 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.045 -0.258 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.077 0.927 5.802 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.179 -0.597 5.992 1.00 0.00 H new ATOM 549 N VAL A 39 5.573 3.285 4.443 1.00 0.00 N ATOM 550 CA VAL A 39 4.568 4.113 3.788 1.00 0.00 C ATOM 551 C VAL A 39 4.172 3.531 2.435 1.00 0.00 C ATOM 552 O VAL A 39 4.985 2.904 1.757 1.00 0.00 O ATOM 553 CB VAL A 39 5.072 5.554 3.587 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.908 6.362 4.865 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.524 5.551 3.131 1.00 0.00 C ATOM 0 H VAL A 39 6.536 3.555 4.245 1.00 0.00 H new ATOM 0 HA VAL A 39 3.696 4.129 4.442 1.00 0.00 H new ATOM 0 HB VAL A 39 4.471 6.025 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.270 7.377 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.855 6.392 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.482 5.896 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.864 6.577 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.141 5.062 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.608 5.012 2.188 1.00 0.00 H new ATOM 565 N VAL A 40 2.918 3.743 2.049 1.00 0.00 N ATOM 566 CA VAL A 40 2.415 3.242 0.776 1.00 0.00 C ATOM 567 C VAL A 40 1.864 4.375 -0.082 1.00 0.00 C ATOM 568 O VAL A 40 1.163 5.266 0.397 1.00 0.00 O ATOM 569 CB VAL A 40 1.310 2.189 0.986 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.771 1.707 -0.352 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.836 1.023 1.809 1.00 0.00 C ATOM 0 H VAL A 40 2.232 4.259 2.600 1.00 0.00 H new ATOM 0 HA VAL A 40 3.258 2.778 0.263 1.00 0.00 H new ATOM 0 HB VAL A 40 0.490 2.652 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.008 0.964 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.355 2.551 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.580 1.260 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.043 0.289 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.673 0.559 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.169 1.385 2.782 1.00 0.00 H new ATOM 581 N PRO A 41 2.188 4.342 -1.383 1.00 0.00 N ATOM 582 CA PRO A 41 1.736 5.359 -2.338 1.00 0.00 C ATOM 583 C PRO A 41 0.238 5.275 -2.608 1.00 0.00 C ATOM 584 O PRO A 41 -0.240 4.314 -3.212 1.00 0.00 O ATOM 585 CB PRO A 41 2.528 5.033 -3.606 1.00 0.00 C ATOM 586 CG PRO A 41 2.844 3.580 -3.492 1.00 0.00 C ATOM 587 CD PRO A 41 3.021 3.310 -2.023 1.00 0.00 C ATOM 0 HA PRO A 41 1.901 6.370 -1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.944 5.242 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.436 5.632 -3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.040 2.972 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.749 3.333 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.692 2.306 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.065 3.393 -1.722 1.00 0.00 H new ATOM 595 N VAL A 42 -0.498 6.286 -2.158 1.00 0.00 N ATOM 596 CA VAL A 42 -1.943 6.327 -2.353 1.00 0.00 C ATOM 597 C VAL A 42 -2.293 6.558 -3.819 1.00 0.00 C ATOM 598 O VAL A 42 -2.053 7.628 -4.378 1.00 0.00 O ATOM 599 CB VAL A 42 -2.593 7.432 -1.500 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.108 7.378 -1.621 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.161 7.307 -0.046 1.00 0.00 C ATOM 0 H VAL A 42 -0.118 7.088 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.333 5.359 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.257 8.400 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.550 8.166 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.395 7.521 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.466 6.408 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.630 8.096 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.466 6.335 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.077 7.400 0.021 1.00 0.00 H new ATOM 611 N PRO A 43 -2.874 5.531 -4.457 1.00 0.00 N ATOM 612 CA PRO A 43 -3.271 5.599 -5.866 1.00 0.00 C ATOM 613 C PRO A 43 -4.453 6.536 -6.091 1.00 0.00 C ATOM 614 O PRO A 43 -5.594 6.092 -6.219 1.00 0.00 O ATOM 615 CB PRO A 43 -3.663 4.156 -6.193 1.00 0.00 C ATOM 616 CG PRO A 43 -4.058 3.565 -4.884 1.00 0.00 C ATOM 617 CD PRO A 43 -3.189 4.226 -3.852 1.00 0.00 C ATOM 0 HA PRO A 43 -2.473 5.992 -6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.486 4.121 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.831 3.611 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.113 3.744 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.912 2.485 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.710 4.339 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.287 3.646 -3.655 1.00 0.00 H new ATOM 625 N TYR A 44 -4.172 7.834 -6.140 1.00 0.00 N ATOM 626 CA TYR A 44 -5.213 8.833 -6.347 1.00 0.00 C ATOM 627 C TYR A 44 -6.055 8.496 -7.575 1.00 0.00 C ATOM 628 O TYR A 44 -7.284 8.509 -7.518 1.00 0.00 O ATOM 629 CB TYR A 44 -4.590 10.222 -6.508 1.00 0.00 C ATOM 630 CG TYR A 44 -3.676 10.611 -5.370 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.179 11.208 -4.221 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.307 10.379 -5.442 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.346 11.566 -3.178 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.467 10.731 -4.403 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.991 11.325 -3.275 1.00 0.00 C ATOM 636 OH TYR A 44 -1.158 11.679 -2.237 1.00 0.00 O ATOM 0 H TYR A 44 -3.232 8.218 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.863 8.832 -5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.028 10.253 -7.441 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.387 10.961 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.240 11.396 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.893 9.916 -6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.753 12.031 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.406 10.542 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.691 11.844 -1.431 1.00 0.00 H new ATOM 646 N GLU A 45 -5.383 8.194 -8.680 1.00 0.00 N ATOM 647 CA GLU A 45 -6.069 7.852 -9.921 1.00 0.00 C ATOM 648 C GLU A 45 -7.126 6.778 -9.682 1.00 0.00 C ATOM 649 O GLU A 45 -8.240 6.859 -10.199 1.00 0.00 O ATOM 650 CB GLU A 45 -5.065 7.371 -10.970 1.00 0.00 C ATOM 651 CG GLU A 45 -5.715 6.786 -12.212 1.00 0.00 C ATOM 652 CD GLU A 45 -4.785 6.780 -13.410 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.751 6.084 -13.356 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.094 7.474 -14.403 1.00 0.00 O ATOM 0 H GLU A 45 -4.365 8.179 -8.742 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.566 8.750 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.429 8.207 -11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.416 6.619 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.038 5.766 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.609 7.360 -12.454 1.00 0.00 H new ATOM 661 N LYS A 46 -6.766 5.770 -8.893 1.00 0.00 N ATOM 662 CA LYS A 46 -7.682 4.678 -8.583 1.00 0.00 C ATOM 663 C LYS A 46 -8.753 5.130 -7.595 1.00 0.00 C ATOM 664 O LYS A 46 -9.947 5.058 -7.884 1.00 0.00 O ATOM 665 CB LYS A 46 -6.911 3.488 -8.006 1.00 0.00 C ATOM 666 CG LYS A 46 -5.813 2.974 -8.921 1.00 0.00 C ATOM 667 CD LYS A 46 -5.303 1.616 -8.472 1.00 0.00 C ATOM 668 CE LYS A 46 -4.408 0.980 -9.524 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.650 -0.180 -8.980 1.00 0.00 N ATOM 0 H LYS A 46 -5.847 5.687 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.171 4.373 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.471 3.779 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.610 2.678 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.192 2.902 -9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.988 3.686 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.749 1.725 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.148 0.959 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.015 0.653 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.709 1.725 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.052 -0.585 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.051 0.136 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.317 -0.902 -8.641 1.00 0.00 H new ATOM 683 N MET A 47 -8.317 5.596 -6.429 1.00 0.00 N ATOM 684 CA MET A 47 -9.240 6.062 -5.400 1.00 0.00 C ATOM 685 C MET A 47 -10.301 6.980 -5.998 1.00 0.00 C ATOM 686 O MET A 47 -11.456 6.974 -5.568 1.00 0.00 O ATOM 687 CB MET A 47 -8.477 6.797 -4.296 1.00 0.00 C ATOM 688 CG MET A 47 -7.947 5.877 -3.208 1.00 0.00 C ATOM 689 SD MET A 47 -7.131 6.775 -1.875 1.00 0.00 S ATOM 690 CE MET A 47 -8.546 7.411 -0.979 1.00 0.00 C ATOM 0 H MET A 47 -7.332 5.661 -6.173 1.00 0.00 H new ATOM 0 HA MET A 47 -9.737 5.192 -4.971 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.642 7.339 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.134 7.540 -3.844 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.771 5.295 -2.797 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.244 5.169 -3.647 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.230 8.231 -0.335 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.292 7.772 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.978 6.617 -0.370 1.00 0.00 H new ATOM 700 N LEU A 48 -9.905 7.770 -6.989 1.00 0.00 N ATOM 701 CA LEU A 48 -10.823 8.693 -7.646 1.00 0.00 C ATOM 702 C LEU A 48 -12.060 7.961 -8.159 1.00 0.00 C ATOM 703 O LEU A 48 -13.181 8.450 -8.026 1.00 0.00 O ATOM 704 CB LEU A 48 -10.120 9.404 -8.804 1.00 0.00 C ATOM 705 CG LEU A 48 -9.237 10.593 -8.425 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.315 10.963 -9.577 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.092 11.785 -8.020 1.00 0.00 C ATOM 0 H LEU A 48 -8.953 7.790 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.141 9.433 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.506 8.675 -9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.879 9.750 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.622 10.306 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.694 11.811 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.677 10.113 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.912 11.230 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.447 12.622 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.734 12.072 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.709 11.516 -7.163 1.00 0.00 H new ATOM 719 N ARG A 49 -11.845 6.786 -8.743 1.00 0.00 N ATOM 720 CA ARG A 49 -12.942 5.986 -9.274 1.00 0.00 C ATOM 721 C ARG A 49 -13.579 5.140 -8.176 1.00 0.00 C ATOM 722 O ARG A 49 -14.783 4.884 -8.196 1.00 0.00 O ATOM 723 CB ARG A 49 -12.441 5.083 -10.403 1.00 0.00 C ATOM 724 CG ARG A 49 -11.939 3.731 -9.923 1.00 0.00 C ATOM 725 CD ARG A 49 -10.848 3.187 -10.833 1.00 0.00 C ATOM 726 NE ARG A 49 -10.517 1.800 -10.522 1.00 0.00 N ATOM 727 CZ ARG A 49 -11.326 0.777 -10.772 1.00 0.00 C ATOM 728 NH1 ARG A 49 -12.508 0.985 -11.336 1.00 0.00 N ATOM 729 NH2 ARG A 49 -10.953 -0.458 -10.460 1.00 0.00 N ATOM 0 H ARG A 49 -10.922 6.368 -8.860 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.697 6.666 -9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.248 4.928 -11.119 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.637 5.592 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.554 3.824 -8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.769 3.025 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.173 3.258 -11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.954 3.803 -10.736 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.614 1.606 -10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.798 1.932 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.128 0.198 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.044 -0.622 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.575 -1.243 -10.653 1.00 0.00 H new ATOM 743 N ASP A 50 -12.764 4.710 -7.219 1.00 0.00 N ATOM 744 CA ASP A 50 -13.248 3.894 -6.112 1.00 0.00 C ATOM 745 C ASP A 50 -12.770 4.453 -4.776 1.00 0.00 C ATOM 746 O ASP A 50 -11.733 4.043 -4.256 1.00 0.00 O ATOM 747 CB ASP A 50 -12.776 2.447 -6.272 1.00 0.00 C ATOM 748 CG ASP A 50 -11.269 2.315 -6.161 1.00 0.00 C ATOM 749 OD1 ASP A 50 -10.565 2.728 -7.107 1.00 0.00 O ATOM 750 OD2 ASP A 50 -10.795 1.799 -5.128 1.00 0.00 O ATOM 0 H ASP A 50 -11.765 4.913 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.338 3.916 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.249 1.827 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.101 2.067 -7.240 1.00 0.00 H new ATOM 755 N GLN A 51 -13.535 5.390 -4.225 1.00 0.00 N ATOM 756 CA GLN A 51 -13.189 6.007 -2.951 1.00 0.00 C ATOM 757 C GLN A 51 -13.585 5.106 -1.785 1.00 0.00 C ATOM 758 O GLN A 51 -13.256 5.385 -0.632 1.00 0.00 O ATOM 759 CB GLN A 51 -13.874 7.367 -2.815 1.00 0.00 C ATOM 760 CG GLN A 51 -13.551 8.327 -3.948 1.00 0.00 C ATOM 761 CD GLN A 51 -13.935 9.758 -3.629 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.757 10.011 -2.747 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.340 10.705 -4.344 1.00 0.00 N ATOM 0 H GLN A 51 -14.399 5.738 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.109 6.149 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.953 7.218 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.577 7.821 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.484 8.281 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.073 8.007 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.665 10.451 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.558 11.687 -4.172 1.00 0.00 H new ATOM 772 N SER A 52 -14.293 4.024 -2.094 1.00 0.00 N ATOM 773 CA SER A 52 -14.738 3.084 -1.072 1.00 0.00 C ATOM 774 C SER A 52 -13.554 2.332 -0.473 1.00 0.00 C ATOM 775 O SER A 52 -13.330 2.364 0.736 1.00 0.00 O ATOM 776 CB SER A 52 -15.741 2.093 -1.662 1.00 0.00 C ATOM 777 OG SER A 52 -15.383 1.732 -2.986 1.00 0.00 O ATOM 0 H SER A 52 -14.571 3.777 -3.044 1.00 0.00 H new ATOM 0 HA SER A 52 -15.224 3.652 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.785 1.201 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.738 2.534 -1.659 1.00 0.00 H new ATOM 0 HG SER A 52 -16.039 1.096 -3.340 1.00 0.00 H new ATOM 783 N ALA A 53 -12.797 1.654 -1.330 1.00 0.00 N ATOM 784 CA ALA A 53 -11.634 0.895 -0.889 1.00 0.00 C ATOM 785 C ALA A 53 -10.949 1.577 0.290 1.00 0.00 C ATOM 786 O ALA A 53 -10.462 0.915 1.206 1.00 0.00 O ATOM 787 CB ALA A 53 -10.655 0.711 -2.039 1.00 0.00 C ATOM 0 H ALA A 53 -12.969 1.615 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.975 -0.086 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.791 0.142 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.144 0.172 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.327 1.687 -2.397 1.00 0.00 H new ATOM 793 N VAL A 54 -10.912 2.905 0.259 1.00 0.00 N ATOM 794 CA VAL A 54 -10.286 3.678 1.325 1.00 0.00 C ATOM 795 C VAL A 54 -10.884 5.077 1.415 1.00 0.00 C ATOM 796 O VAL A 54 -10.920 5.812 0.428 1.00 0.00 O ATOM 797 CB VAL A 54 -8.765 3.794 1.114 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.077 4.218 2.403 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.195 2.479 0.604 1.00 0.00 C ATOM 0 H VAL A 54 -11.308 3.468 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.477 3.145 2.256 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.579 4.560 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.003 4.295 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.464 5.186 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.270 3.478 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.119 2.580 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.392 1.691 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.665 2.223 -0.345 1.00 0.00 H new ATOM 809 N VAL A 55 -11.353 5.440 2.605 1.00 0.00 N ATOM 810 CA VAL A 55 -11.949 6.752 2.824 1.00 0.00 C ATOM 811 C VAL A 55 -10.929 7.729 3.398 1.00 0.00 C ATOM 812 O VAL A 55 -9.861 7.329 3.861 1.00 0.00 O ATOM 813 CB VAL A 55 -13.155 6.667 3.779 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.835 8.022 3.900 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.138 5.609 3.303 1.00 0.00 C ATOM 0 H VAL A 55 -11.331 4.843 3.432 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.288 7.113 1.853 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.795 6.377 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.685 7.943 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.125 8.752 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.183 8.343 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.983 5.563 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.494 5.866 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.642 4.639 3.273 1.00 0.00 H new ATOM 825 N VAL A 56 -11.265 9.015 3.362 1.00 0.00 N ATOM 826 CA VAL A 56 -10.380 10.051 3.879 1.00 0.00 C ATOM 827 C VAL A 56 -11.153 11.074 4.704 1.00 0.00 C ATOM 828 O VAL A 56 -12.101 11.689 4.217 1.00 0.00 O ATOM 829 CB VAL A 56 -9.643 10.780 2.740 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.634 11.768 3.302 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.964 9.777 1.819 1.00 0.00 C ATOM 0 H VAL A 56 -12.144 9.364 2.980 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.649 9.552 4.515 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.374 11.339 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.124 12.273 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.150 12.505 3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.903 11.235 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.448 10.309 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.244 9.190 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.714 9.113 1.388 1.00 0.00 H new ATOM 841 N GLN A 57 -10.741 11.250 5.956 1.00 0.00 N ATOM 842 CA GLN A 57 -11.396 12.198 6.849 1.00 0.00 C ATOM 843 C GLN A 57 -10.441 13.317 7.249 1.00 0.00 C ATOM 844 O GLN A 57 -9.232 13.220 7.039 1.00 0.00 O ATOM 845 CB GLN A 57 -11.913 11.481 8.098 1.00 0.00 C ATOM 846 CG GLN A 57 -13.077 10.542 7.823 1.00 0.00 C ATOM 847 CD GLN A 57 -13.930 10.296 9.052 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.509 10.564 10.178 1.00 0.00 O ATOM 849 NE2 GLN A 57 -15.136 9.783 8.842 1.00 0.00 N ATOM 0 H GLN A 57 -9.957 10.749 6.374 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.239 12.638 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.097 10.913 8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.223 12.225 8.832 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.698 10.962 7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.693 9.591 7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.444 9.576 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.755 9.596 9.631 1.00 0.00 H new ATOM 858 N GLY A 58 -10.992 14.381 7.827 1.00 0.00 N ATOM 859 CA GLY A 58 -10.175 15.503 8.247 1.00 0.00 C ATOM 860 C GLY A 58 -10.045 16.562 7.169 1.00 0.00 C ATOM 861 O GLY A 58 -9.303 17.532 7.327 1.00 0.00 O ATOM 0 H GLY A 58 -11.990 14.485 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.610 15.950 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.183 15.144 8.521 1.00 0.00 H new ATOM 865 N LEU A 59 -10.768 16.376 6.070 1.00 0.00 N ATOM 866 CA LEU A 59 -10.730 17.322 4.960 1.00 0.00 C ATOM 867 C LEU A 59 -11.607 18.536 5.249 1.00 0.00 C ATOM 868 O LEU A 59 -12.588 18.461 5.988 1.00 0.00 O ATOM 869 CB LEU A 59 -11.189 16.642 3.670 1.00 0.00 C ATOM 870 CG LEU A 59 -10.148 15.776 2.959 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.612 15.429 1.553 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.802 16.485 2.919 1.00 0.00 C ATOM 0 H LEU A 59 -11.387 15.579 5.924 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.701 17.661 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.054 16.020 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.525 17.413 2.977 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.031 14.849 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.858 14.813 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.552 14.880 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.759 16.346 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.074 15.854 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.903 17.428 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.464 16.681 3.936 1.00 0.00 H new ATOM 884 N PRO A 60 -11.247 19.681 4.652 1.00 0.00 N ATOM 885 CA PRO A 60 -11.989 20.933 4.828 1.00 0.00 C ATOM 886 C PRO A 60 -13.355 20.896 4.152 1.00 0.00 C ATOM 887 O PRO A 60 -13.772 19.863 3.630 1.00 0.00 O ATOM 888 CB PRO A 60 -11.091 21.975 4.159 1.00 0.00 C ATOM 889 CG PRO A 60 -10.296 21.207 3.160 1.00 0.00 C ATOM 890 CD PRO A 60 -10.087 19.843 3.759 1.00 0.00 C ATOM 0 HA PRO A 60 -12.196 21.140 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.681 22.756 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.444 22.466 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.825 21.139 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.343 21.696 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.058 19.068 2.993 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.147 19.785 4.307 1.00 0.00 H new ATOM 898 N GLU A 61 -14.049 22.030 4.168 1.00 0.00 N ATOM 899 CA GLU A 61 -15.369 22.126 3.556 1.00 0.00 C ATOM 900 C GLU A 61 -15.258 22.392 2.057 1.00 0.00 C ATOM 901 O GLU A 61 -14.208 22.804 1.566 1.00 0.00 O ATOM 902 CB GLU A 61 -16.186 23.236 4.222 1.00 0.00 C ATOM 903 CG GLU A 61 -17.682 23.116 3.988 1.00 0.00 C ATOM 904 CD GLU A 61 -18.123 23.766 2.691 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.602 24.853 2.363 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.990 23.187 2.003 1.00 0.00 O ATOM 0 H GLU A 61 -13.719 22.894 4.598 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.877 21.173 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.993 23.224 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.845 24.201 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.961 22.062 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.214 23.576 4.820 1.00 0.00 H new ATOM 913 N GLY A 62 -16.348 22.149 1.336 1.00 0.00 N ATOM 914 CA GLY A 62 -16.352 22.367 -0.099 1.00 0.00 C ATOM 915 C GLY A 62 -15.145 21.755 -0.781 1.00 0.00 C ATOM 916 O GLY A 62 -14.754 22.182 -1.867 1.00 0.00 O ATOM 0 H GLY A 62 -17.228 21.805 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.261 21.942 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.375 23.438 -0.301 1.00 0.00 H new ATOM 920 N VAL A 63 -14.551 20.752 -0.141 1.00 0.00 N ATOM 921 CA VAL A 63 -13.381 20.080 -0.694 1.00 0.00 C ATOM 922 C VAL A 63 -13.682 18.618 -1.006 1.00 0.00 C ATOM 923 O VAL A 63 -14.702 18.079 -0.577 1.00 0.00 O ATOM 924 CB VAL A 63 -12.184 20.149 0.275 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.318 19.098 1.365 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.876 19.981 -0.482 1.00 0.00 C ATOM 0 H VAL A 63 -14.861 20.387 0.760 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.124 20.601 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.179 21.130 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.464 19.162 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.237 19.270 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.350 18.107 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.042 20.032 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.869 19.014 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.779 20.776 -1.222 1.00 0.00 H new ATOM 936 N ALA A 64 -12.789 17.983 -1.757 1.00 0.00 N ATOM 937 CA ALA A 64 -12.959 16.583 -2.126 1.00 0.00 C ATOM 938 C ALA A 64 -11.609 15.896 -2.308 1.00 0.00 C ATOM 939 O ALA A 64 -10.743 16.390 -3.030 1.00 0.00 O ATOM 940 CB ALA A 64 -13.787 16.468 -3.397 1.00 0.00 C ATOM 0 H ALA A 64 -11.940 18.416 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.487 16.081 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.906 15.417 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.768 16.914 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.281 16.991 -4.209 1.00 0.00 H new ATOM 946 N PHE A 65 -11.437 14.756 -1.647 1.00 0.00 N ATOM 947 CA PHE A 65 -10.192 14.002 -1.736 1.00 0.00 C ATOM 948 C PHE A 65 -9.625 14.051 -3.151 1.00 0.00 C ATOM 949 O PHE A 65 -10.325 13.763 -4.123 1.00 0.00 O ATOM 950 CB PHE A 65 -10.420 12.549 -1.315 1.00 0.00 C ATOM 951 CG PHE A 65 -9.209 11.677 -1.489 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.190 11.690 -0.551 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.091 10.845 -2.590 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.074 10.889 -0.709 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.978 10.042 -2.753 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.968 10.064 -1.811 1.00 0.00 C ATOM 0 H PHE A 65 -12.144 14.334 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.470 14.460 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.727 12.526 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.243 12.135 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.268 12.333 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.878 10.823 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.286 10.909 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.898 9.398 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.097 9.437 -1.936 1.00 0.00 H new ATOM 966 N LYS A 66 -8.353 14.419 -3.261 1.00 0.00 N ATOM 967 CA LYS A 66 -7.689 14.505 -4.556 1.00 0.00 C ATOM 968 C LYS A 66 -6.204 14.806 -4.387 1.00 0.00 C ATOM 969 O LYS A 66 -5.731 15.045 -3.276 1.00 0.00 O ATOM 970 CB LYS A 66 -8.345 15.588 -5.416 1.00 0.00 C ATOM 971 CG LYS A 66 -8.152 16.994 -4.877 1.00 0.00 C ATOM 972 CD LYS A 66 -8.671 18.040 -5.849 1.00 0.00 C ATOM 973 CE LYS A 66 -10.144 18.337 -5.613 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.547 19.644 -6.202 1.00 0.00 N ATOM 0 H LYS A 66 -7.761 14.663 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.792 13.541 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.936 15.536 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.412 15.381 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.670 17.093 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.093 17.169 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.092 18.957 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.528 17.691 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.749 17.541 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.346 18.343 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.557 19.810 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.987 20.407 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.378 19.629 -7.228 1.00 0.00 H new ATOM 988 N HIS A 67 -5.473 14.795 -5.497 1.00 0.00 N ATOM 989 CA HIS A 67 -4.040 15.068 -5.472 1.00 0.00 C ATOM 990 C HIS A 67 -3.746 16.357 -4.709 1.00 0.00 C ATOM 991 O HIS A 67 -4.485 17.339 -4.793 1.00 0.00 O ATOM 992 CB HIS A 67 -3.494 15.171 -6.896 1.00 0.00 C ATOM 993 CG HIS A 67 -2.090 14.665 -7.038 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.021 15.485 -7.331 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.584 13.415 -6.920 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.082 14.761 -7.391 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.232 13.502 -7.146 1.00 0.00 N ATOM 0 H HIS A 67 -5.849 14.600 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.547 14.242 -4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.144 14.609 -7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.530 16.212 -7.216 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.139 12.517 -6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.072 15.135 -7.604 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.423 12.721 -7.128 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.644 16.355 -3.945 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.228 17.516 -3.152 1.00 0.00 C ATOM 1007 C PRO A 68 -1.742 18.669 -4.023 1.00 0.00 C ATOM 1008 O PRO A 68 -1.389 19.733 -3.517 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.082 16.969 -2.298 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.542 15.821 -3.078 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.718 15.220 -3.797 1.00 0.00 C ATOM 0 HA PRO A 68 -3.052 17.929 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.317 17.727 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.436 16.650 -1.318 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.219 16.152 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.071 15.090 -2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.430 14.808 -4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.166 14.408 -3.225 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.726 18.448 -5.334 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.282 19.471 -6.274 1.00 0.00 C ATOM 1021 C GLU A 69 -2.470 20.249 -6.833 1.00 0.00 C ATOM 1022 O GLU A 69 -2.315 21.360 -7.338 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.492 18.833 -7.419 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.355 18.428 -8.603 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.576 17.669 -9.659 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.037 16.637 -9.316 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.581 18.107 -10.829 1.00 0.00 O ATOM 0 H GLU A 69 -2.015 17.572 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.635 20.165 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.270 19.535 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.030 17.953 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.181 17.810 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.793 19.320 -9.051 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.655 19.656 -6.739 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.870 20.292 -7.235 1.00 0.00 C ATOM 1036 C ASN A 70 -5.365 21.356 -6.259 1.00 0.00 C ATOM 1037 O ASN A 70 -6.170 22.216 -6.617 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.963 19.246 -7.464 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.907 18.647 -8.856 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -6.411 19.232 -9.815 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.292 17.476 -8.972 1.00 0.00 N ATOM 0 H ASN A 70 -3.800 18.736 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.635 20.775 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.862 18.451 -6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.939 19.704 -7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.223 17.025 -9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.889 17.028 -8.149 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.879 21.290 -5.025 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.273 22.245 -3.996 1.00 0.00 C ATOM 1050 C TYR A 71 -4.451 23.526 -4.099 1.00 0.00 C ATOM 1051 O TYR A 71 -3.268 23.493 -4.440 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.105 21.629 -2.606 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.032 20.463 -2.345 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.389 20.552 -2.629 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.550 19.271 -1.815 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.239 19.489 -2.391 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.393 18.203 -1.577 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.737 18.317 -1.865 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.580 17.257 -1.628 1.00 0.00 O ATOM 0 H TYR A 71 -4.211 20.585 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.323 22.494 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.074 21.296 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.281 22.398 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.786 21.467 -3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.499 19.179 -1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.292 19.575 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.002 17.283 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.434 17.411 -2.083 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.085 24.654 -3.799 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.415 25.947 -3.856 1.00 0.00 C ATOM 1071 C ASP A 72 -3.482 26.129 -2.662 1.00 0.00 C ATOM 1072 O ASP A 72 -3.728 25.589 -1.582 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.443 27.079 -3.891 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.645 26.741 -4.751 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.457 26.475 -5.957 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.774 26.742 -4.218 1.00 0.00 O ATOM 0 H ASP A 72 -6.063 24.699 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.820 25.979 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.775 27.296 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.970 27.984 -4.272 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.411 26.889 -2.864 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.441 27.140 -1.804 1.00 0.00 C ATOM 1083 C LEU A 73 -2.138 27.325 -0.460 1.00 0.00 C ATOM 1084 O LEU A 73 -1.791 26.674 0.525 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.607 28.379 -2.133 1.00 0.00 C ATOM 1086 CG LEU A 73 0.454 28.768 -1.103 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.156 27.529 -0.566 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.461 29.732 -1.710 1.00 0.00 C ATOM 0 H LEU A 73 -2.193 27.342 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.783 26.274 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.112 28.215 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.284 29.223 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.042 29.269 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.908 27.825 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.426 26.874 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.638 26.999 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.208 29.997 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.952 29.258 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.946 30.633 -2.044 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.124 28.215 -0.428 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.873 28.482 0.793 1.00 0.00 C ATOM 1102 C ALA A 74 -4.429 27.194 1.389 1.00 0.00 C ATOM 1103 O ALA A 74 -4.161 26.864 2.545 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.999 29.469 0.518 1.00 0.00 C ATOM 0 H ALA A 74 -3.423 28.764 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.190 28.922 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.550 29.659 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.580 30.404 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.674 29.052 -0.229 1.00 0.00 H new ATOM 1110 N THR A 75 -5.209 26.468 0.594 1.00 0.00 N ATOM 1111 CA THR A 75 -5.805 25.217 1.043 1.00 0.00 C ATOM 1112 C THR A 75 -4.742 24.253 1.557 1.00 0.00 C ATOM 1113 O THR A 75 -4.864 23.704 2.653 1.00 0.00 O ATOM 1114 CB THR A 75 -6.597 24.533 -0.089 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.634 25.403 -0.556 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.204 23.223 0.391 1.00 0.00 C ATOM 0 H THR A 75 -5.442 26.726 -0.365 1.00 0.00 H new ATOM 0 HA THR A 75 -6.488 25.467 1.855 1.00 0.00 H new ATOM 0 HB THR A 75 -5.909 24.318 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.131 24.962 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.758 22.758 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.410 22.552 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.880 23.419 1.224 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.698 24.053 0.760 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.610 23.156 1.136 1.00 0.00 C ATOM 1126 C LEU A 76 -2.219 23.355 2.596 1.00 0.00 C ATOM 1127 O LEU A 76 -2.248 22.416 3.392 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.396 23.391 0.235 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.411 22.668 -1.113 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.299 23.189 -2.010 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.278 21.166 -0.915 1.00 0.00 C ATOM 0 H LEU A 76 -3.582 24.499 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.957 22.131 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.308 24.462 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.501 23.087 0.778 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.366 22.867 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.325 22.663 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.439 24.257 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.665 23.021 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.291 20.669 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.338 20.948 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.110 20.804 -0.311 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.856 24.586 2.944 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.462 24.910 4.310 1.00 0.00 C ATOM 1145 C LYS A 77 -2.458 24.336 5.314 1.00 0.00 C ATOM 1146 O LYS A 77 -2.066 23.726 6.310 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.363 26.427 4.486 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.260 27.064 3.658 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.410 28.575 3.599 1.00 0.00 C ATOM 1150 CE LYS A 77 0.852 29.240 3.070 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.875 30.700 3.364 1.00 0.00 N ATOM 0 H LYS A 77 -1.827 25.375 2.298 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.486 24.463 4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.317 26.879 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.192 26.652 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.710 26.810 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.280 26.656 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.254 28.833 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.635 28.959 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.726 28.766 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.920 29.085 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.751 31.116 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.054 31.157 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.836 30.848 4.393 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.743 24.533 5.045 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.793 24.033 5.924 1.00 0.00 C ATOM 1167 C TRP A 78 -4.590 22.552 6.228 1.00 0.00 C ATOM 1168 O TRP A 78 -4.399 22.166 7.381 1.00 0.00 O ATOM 1169 CB TRP A 78 -6.167 24.251 5.289 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.305 23.977 6.224 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.967 24.888 6.998 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.913 22.708 6.486 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.950 24.261 7.724 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.938 22.923 7.428 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.693 21.411 6.014 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.738 21.889 7.906 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.487 20.386 6.490 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.500 20.629 7.428 1.00 0.00 C ATOM 0 H TRP A 78 -4.083 25.036 4.225 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.741 24.588 6.861 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.237 25.280 4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.261 23.607 4.415 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.749 25.945 7.034 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.586 24.717 8.378 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.916 21.214 5.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.519 22.075 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.325 19.380 6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.104 19.806 7.780 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.632 21.728 5.186 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.451 20.291 5.342 1.00 0.00 C ATOM 1191 C ILE A 79 -3.355 19.981 6.357 1.00 0.00 C ATOM 1192 O ILE A 79 -3.576 19.250 7.323 1.00 0.00 O ATOM 1193 CB ILE A 79 -4.100 19.618 4.002 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.145 19.970 2.941 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -4.000 18.110 4.176 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.938 19.247 1.628 1.00 0.00 C ATOM 0 H ILE A 79 -4.790 22.032 4.225 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.399 19.892 5.702 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.131 19.990 3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.137 19.732 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.122 21.045 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.751 17.649 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.222 17.878 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.955 17.720 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.714 19.544 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.960 19.505 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.990 18.171 1.793 1.00 0.00 H new ATOM 1208 N LEU A 80 -2.173 20.544 6.132 1.00 0.00 N ATOM 1209 CA LEU A 80 -1.041 20.331 7.027 1.00 0.00 C ATOM 1210 C LEU A 80 -1.373 20.789 8.443 1.00 0.00 C ATOM 1211 O LEU A 80 -1.006 20.137 9.419 1.00 0.00 O ATOM 1212 CB LEU A 80 0.190 21.079 6.511 1.00 0.00 C ATOM 1213 CG LEU A 80 0.970 20.394 5.388 1.00 0.00 C ATOM 1214 CD1 LEU A 80 1.960 21.362 4.759 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.688 19.159 5.914 1.00 0.00 C ATOM 0 H LEU A 80 -1.974 21.152 5.337 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.825 19.263 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.127 22.061 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.868 21.244 7.349 1.00 0.00 H new ATOM 0 HG LEU A 80 0.264 20.079 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.506 20.857 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.422 22.216 4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.662 21.708 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.238 18.684 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.383 19.450 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.957 18.457 6.316 1.00 0.00 H new ATOM 1227 N GLU A 81 -2.071 21.916 8.547 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.454 22.461 9.844 1.00 0.00 C ATOM 1229 C GLU A 81 -3.330 21.476 10.610 1.00 0.00 C ATOM 1230 O GLU A 81 -3.037 21.127 11.754 1.00 0.00 O ATOM 1231 CB GLU A 81 -3.194 23.788 9.667 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.289 25.006 9.751 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.441 25.018 11.008 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -2.019 24.949 12.114 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -0.200 25.095 10.887 1.00 0.00 O ATOM 0 H GLU A 81 -2.383 22.469 7.749 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.544 22.635 10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.699 23.787 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.968 23.867 10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.637 25.031 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.898 25.909 9.720 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.409 21.031 9.973 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.329 20.087 10.594 1.00 0.00 C ATOM 1244 C ASN A 82 -5.081 18.670 10.085 1.00 0.00 C ATOM 1245 O ASN A 82 -6.015 17.885 9.921 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.777 20.494 10.315 1.00 0.00 C ATOM 1247 CG ASN A 82 -7.123 21.845 10.914 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -8.068 21.965 11.695 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.358 22.867 10.552 1.00 0.00 N ATOM 0 H ASN A 82 -4.667 21.310 9.026 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.155 20.104 11.670 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.942 20.524 9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.449 19.737 10.720 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.542 23.799 10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.586 22.721 9.902 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.816 18.349 9.839 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.442 17.027 9.350 1.00 0.00 C ATOM 1258 C LYS A 83 -3.474 16.001 10.479 1.00 0.00 C ATOM 1259 O LYS A 83 -3.995 14.898 10.313 1.00 0.00 O ATOM 1260 CB LYS A 83 -2.048 17.068 8.723 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.929 17.236 9.736 1.00 0.00 C ATOM 1262 CD LYS A 83 0.405 17.498 9.056 1.00 0.00 C ATOM 1263 CE LYS A 83 1.527 17.651 10.072 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.781 18.146 9.441 1.00 0.00 N ATOM 0 H LYS A 83 -3.031 18.987 9.970 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.166 16.729 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.884 16.148 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.005 17.889 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.165 18.062 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.855 16.338 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.636 16.677 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.335 18.402 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.216 18.343 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.716 16.691 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.522 18.237 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.091 17.473 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.607 19.074 9.005 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.915 16.372 11.626 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.882 15.486 12.782 1.00 0.00 C ATOM 1280 C ALA A 84 -4.221 14.781 12.972 1.00 0.00 C ATOM 1281 O ALA A 84 -4.281 13.672 13.500 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.512 16.266 14.035 1.00 0.00 C ATOM 0 H ALA A 84 -2.479 17.281 11.779 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.122 14.725 12.603 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.491 15.591 14.891 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.529 16.718 13.905 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.251 17.049 14.208 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.295 15.435 12.537 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.619 14.855 12.670 1.00 0.00 C ATOM 1290 C GLY A 85 -6.982 13.965 11.497 1.00 0.00 C ATOM 1291 O GLY A 85 -7.665 12.954 11.666 1.00 0.00 O ATOM 0 H GLY A 85 -5.272 16.354 12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.667 14.275 13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.355 15.654 12.758 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.526 14.341 10.308 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.807 13.570 9.103 1.00 0.00 C ATOM 1297 C ILE A 86 -6.540 12.085 9.327 1.00 0.00 C ATOM 1298 O ILE A 86 -5.422 11.687 9.655 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.963 14.058 7.912 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.580 15.319 7.303 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.842 12.962 6.864 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.724 15.954 6.230 1.00 0.00 C ATOM 0 H ILE A 86 -5.960 15.175 10.153 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.862 13.717 8.873 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.963 14.303 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.553 15.069 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.754 16.047 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.242 13.322 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.362 12.088 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.835 12.689 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.224 16.842 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.760 16.235 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.571 15.243 5.419 1.00 0.00 H new ATOM 1314 N SER A 87 -7.573 11.270 9.145 1.00 0.00 N ATOM 1315 CA SER A 87 -7.451 9.828 9.329 1.00 0.00 C ATOM 1316 C SER A 87 -7.803 9.085 8.043 1.00 0.00 C ATOM 1317 O SER A 87 -8.395 9.654 7.126 1.00 0.00 O ATOM 1318 CB SER A 87 -8.359 9.359 10.467 1.00 0.00 C ATOM 1319 OG SER A 87 -9.634 8.978 9.979 1.00 0.00 O ATOM 0 H SER A 87 -8.504 11.583 8.870 1.00 0.00 H new ATOM 0 HA SER A 87 -6.415 9.605 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.897 8.517 10.982 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.471 10.158 11.200 1.00 0.00 H new ATOM 0 HG SER A 87 -10.195 8.681 10.726 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.434 7.809 7.985 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.709 6.987 6.812 1.00 0.00 C ATOM 1327 C PHE A 88 -8.337 5.657 7.216 1.00 0.00 C ATOM 1328 O PHE A 88 -7.759 4.894 7.989 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.421 6.737 6.025 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.162 7.762 4.957 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.918 9.084 5.293 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.162 7.404 3.619 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.679 10.030 4.313 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.923 8.345 2.636 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.683 9.659 2.983 1.00 0.00 C ATOM 0 H PHE A 88 -6.944 7.322 8.736 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.415 7.525 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.579 6.724 6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.471 5.750 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.914 9.379 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.351 6.378 3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.490 11.057 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.924 8.052 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.499 10.396 2.215 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.526 5.387 6.687 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.234 4.149 6.992 1.00 0.00 C ATOM 1347 C ILE A 89 -10.207 3.194 5.804 1.00 0.00 C ATOM 1348 O ILE A 89 -10.844 3.444 4.779 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.698 4.420 7.386 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.766 5.497 8.470 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.364 3.138 7.863 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.902 6.901 7.920 1.00 0.00 C ATOM 0 H ILE A 89 -10.019 6.008 6.046 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.719 3.690 7.836 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.234 4.780 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.612 5.289 9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.867 5.441 9.083 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.398 3.346 8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.343 2.398 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.829 2.751 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.944 7.612 8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.044 7.129 7.288 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.816 6.974 7.331 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.468 2.099 5.947 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.361 1.105 4.886 1.00 0.00 C ATOM 1366 C ILE A 90 -10.547 0.147 4.911 1.00 0.00 C ATOM 1367 O ILE A 90 -10.701 -0.644 5.842 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.058 0.295 5.005 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.081 0.693 3.895 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.353 -1.197 4.947 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.157 1.825 4.282 1.00 0.00 C ATOM 0 H ILE A 90 -8.934 1.878 6.788 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.356 1.649 3.941 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.597 0.517 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.483 -0.176 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.647 0.983 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.421 -1.756 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.016 -1.469 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.834 -1.436 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.493 2.054 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.747 2.708 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.564 1.531 5.148 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.381 0.221 3.880 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.552 -0.642 3.779 1.00 0.00 C ATOM 1385 C LYS A 91 -12.222 -1.919 3.012 1.00 0.00 C ATOM 1386 O LYS A 91 -12.829 -2.966 3.242 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.699 0.099 3.088 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.870 1.533 3.560 1.00 0.00 C ATOM 1389 CD LYS A 91 -14.862 1.628 4.707 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.231 3.072 5.005 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.570 3.181 5.647 1.00 0.00 N ATOM 0 H LYS A 91 -11.268 0.870 3.102 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.860 -0.915 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.525 0.098 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.628 -0.445 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.906 1.930 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.211 2.152 2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.762 1.065 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.434 1.169 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.478 3.512 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.224 3.647 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -16.785 4.181 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.292 2.784 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.569 2.654 6.543 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.259 -1.826 2.103 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.849 -2.975 1.303 1.00 0.00 C ATOM 1407 C ARG A 92 -9.720 -2.597 0.349 1.00 0.00 C ATOM 1408 O ARG A 92 -9.706 -1.516 -0.240 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.038 -3.522 0.513 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.663 -4.054 -0.861 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.783 -2.975 -1.926 1.00 0.00 C ATOM 1412 NE ARG A 92 -13.036 -3.078 -2.671 1.00 0.00 N ATOM 1413 CZ ARG A 92 -14.126 -2.378 -2.374 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.117 -1.530 -1.356 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -15.228 -2.527 -3.098 1.00 0.00 N ATOM 0 H ARG A 92 -10.747 -0.967 1.901 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.485 -3.748 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.508 -4.321 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.781 -2.733 0.397 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.642 -4.434 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.310 -4.893 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.720 -1.993 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.943 -3.052 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.076 -3.722 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.272 -1.413 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.955 -0.994 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.239 -3.179 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.065 -1.990 -2.870 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.749 -3.509 0.191 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.597 -3.294 -0.690 1.00 0.00 C ATOM 1431 C PRO A 93 -7.986 -3.310 -2.165 1.00 0.00 C ATOM 1432 O PRO A 93 -8.953 -3.965 -2.555 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.678 -4.474 -0.368 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.590 -5.536 0.144 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.699 -4.819 0.861 1.00 0.00 C ATOM 0 HA PRO A 93 -7.135 -2.320 -0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.138 -4.809 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.930 -4.202 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.981 -6.142 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.063 -6.212 0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.646 -5.352 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.489 -4.718 1.926 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.226 -2.585 -2.980 1.00 0.00 N ATOM 1444 CA PHE A 94 -7.493 -2.516 -4.412 1.00 0.00 C ATOM 1445 C PHE A 94 -7.149 -3.837 -5.094 1.00 0.00 C ATOM 1446 O PHE A 94 -5.997 -4.272 -5.086 1.00 0.00 O ATOM 1447 CB PHE A 94 -6.690 -1.378 -5.047 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.150 -0.012 -4.625 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -6.907 0.451 -3.341 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -7.827 0.811 -5.512 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.330 1.707 -2.950 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.251 2.068 -5.126 1.00 0.00 C ATOM 1453 CZ PHE A 94 -8.003 2.517 -3.844 1.00 0.00 C ATOM 0 H PHE A 94 -6.422 -2.038 -2.674 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.557 -2.323 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.639 -1.496 -4.785 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.759 -1.457 -6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.381 -0.178 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.025 0.466 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.135 2.055 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.776 2.699 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.334 3.499 -3.541 1.00 0.00 H new ATOM 1463 N LEU A 95 -8.157 -4.471 -5.683 1.00 0.00 N ATOM 1464 CA LEU A 95 -7.963 -5.743 -6.369 1.00 0.00 C ATOM 1465 C LEU A 95 -6.731 -5.696 -7.268 1.00 0.00 C ATOM 1466 O LEU A 95 -6.701 -4.962 -8.255 1.00 0.00 O ATOM 1467 CB LEU A 95 -9.201 -6.092 -7.199 1.00 0.00 C ATOM 1468 CG LEU A 95 -10.290 -6.885 -6.477 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -11.582 -6.871 -7.281 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -9.831 -8.315 -6.227 1.00 0.00 C ATOM 0 H LEU A 95 -9.116 -4.125 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.810 -6.514 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.639 -5.165 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.881 -6.663 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.480 -6.412 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.346 -7.440 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.920 -5.843 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.407 -7.320 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.619 -8.865 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.613 -8.799 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.932 -8.306 -5.611 1.00 0.00 H new ATOM 1482 N GLU A 96 -5.720 -6.485 -6.919 1.00 0.00 N ATOM 1483 CA GLU A 96 -4.487 -6.533 -7.696 1.00 0.00 C ATOM 1484 C GLU A 96 -3.908 -7.945 -7.711 1.00 0.00 C ATOM 1485 O GLU A 96 -4.126 -8.742 -6.799 1.00 0.00 O ATOM 1486 CB GLU A 96 -3.459 -5.554 -7.123 1.00 0.00 C ATOM 1487 CG GLU A 96 -3.089 -5.839 -5.677 1.00 0.00 C ATOM 1488 CD GLU A 96 -1.906 -6.780 -5.551 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -2.123 -8.009 -5.559 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -0.763 -6.287 -5.445 1.00 0.00 O ATOM 0 H GLU A 96 -5.730 -7.099 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.721 -6.244 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.557 -5.588 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.855 -4.541 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.857 -4.900 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.948 -6.271 -5.165 1.00 0.00 H new ATOM 1497 N PRO A 97 -3.153 -8.262 -8.773 1.00 0.00 N ATOM 1498 CA PRO A 97 -2.526 -9.578 -8.934 1.00 0.00 C ATOM 1499 C PRO A 97 -1.396 -9.809 -7.937 1.00 0.00 C ATOM 1500 O PRO A 97 -0.806 -8.859 -7.422 1.00 0.00 O ATOM 1501 CB PRO A 97 -1.979 -9.538 -10.363 1.00 0.00 C ATOM 1502 CG PRO A 97 -1.771 -8.091 -10.648 1.00 0.00 C ATOM 1503 CD PRO A 97 -2.850 -7.361 -9.897 1.00 0.00 C ATOM 0 HA PRO A 97 -3.231 -10.390 -8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.046 -10.096 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.681 -9.984 -11.068 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.782 -7.768 -10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.836 -7.891 -11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.508 -6.386 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.727 -7.188 -10.521 1.00 0.00 H new ATOM 1511 N LYS A 98 -1.098 -11.075 -7.669 1.00 0.00 N ATOM 1512 CA LYS A 98 -0.037 -11.431 -6.735 1.00 0.00 C ATOM 1513 C LYS A 98 1.284 -10.782 -7.138 1.00 0.00 C ATOM 1514 O LYS A 98 1.435 -10.305 -8.264 1.00 0.00 O ATOM 1515 CB LYS A 98 0.128 -12.951 -6.674 1.00 0.00 C ATOM 1516 CG LYS A 98 1.129 -13.413 -5.629 1.00 0.00 C ATOM 1517 CD LYS A 98 0.886 -14.857 -5.224 1.00 0.00 C ATOM 1518 CE LYS A 98 1.557 -15.827 -6.185 1.00 0.00 C ATOM 1519 NZ LYS A 98 1.860 -17.132 -5.536 1.00 0.00 N ATOM 0 H LYS A 98 -1.577 -11.873 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.317 -11.062 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.840 -13.405 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.444 -13.313 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.140 -13.310 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.061 -12.771 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.265 -15.022 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.186 -15.053 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.909 -15.992 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.480 -15.386 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.316 -17.764 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.499 -16.979 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.977 -17.566 -5.200 1.00 0.00 H new ATOM 1533 N LYS A 99 2.237 -10.769 -6.214 1.00 0.00 N ATOM 1534 CA LYS A 99 3.547 -10.182 -6.473 1.00 0.00 C ATOM 1535 C LYS A 99 4.192 -10.813 -7.703 1.00 0.00 C ATOM 1536 O LYS A 99 3.755 -11.862 -8.177 1.00 0.00 O ATOM 1537 CB LYS A 99 4.458 -10.360 -5.258 1.00 0.00 C ATOM 1538 CG LYS A 99 3.936 -9.682 -4.001 1.00 0.00 C ATOM 1539 CD LYS A 99 5.019 -9.557 -2.944 1.00 0.00 C ATOM 1540 CE LYS A 99 5.061 -10.780 -2.041 1.00 0.00 C ATOM 1541 NZ LYS A 99 5.937 -10.566 -0.855 1.00 0.00 N ATOM 0 H LYS A 99 2.128 -11.158 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 99 3.409 -9.117 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.583 -11.425 -5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.445 -9.961 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.555 -8.692 -4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.099 -10.253 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.987 -9.427 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.841 -8.666 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.051 -11.020 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.422 -11.638 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.938 -11.423 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.906 -10.362 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.579 -9.764 -0.299 1.00 0.00 H new ATOM 1555 N HIS A 100 5.237 -10.169 -8.213 1.00 0.00 N ATOM 1556 CA HIS A 100 5.945 -10.670 -9.387 1.00 0.00 C ATOM 1557 C HIS A 100 7.242 -9.898 -9.609 1.00 0.00 C ATOM 1558 O HIS A 100 7.325 -8.704 -9.318 1.00 0.00 O ATOM 1559 CB HIS A 100 5.057 -10.565 -10.627 1.00 0.00 C ATOM 1560 CG HIS A 100 5.592 -11.310 -11.811 1.00 0.00 C ATOM 1561 ND1 HIS A 100 5.927 -12.646 -11.772 1.00 0.00 N ATOM 1562 CD2 HIS A 100 5.850 -10.895 -13.074 1.00 0.00 C ATOM 1563 CE1 HIS A 100 6.368 -13.022 -12.959 1.00 0.00 C ATOM 1564 NE2 HIS A 100 6.332 -11.978 -13.767 1.00 0.00 N ATOM 0 H HIS A 100 5.612 -9.300 -7.833 1.00 0.00 H new ATOM 0 HA HIS A 100 6.191 -11.718 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 100 4.064 -10.946 -10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 100 4.940 -9.514 -10.892 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.704 -9.898 -13.463 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.701 -14.015 -13.224 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.616 -11.976 -14.747 1.00 0.00 H new ATOM 1572 N VAL A 101 8.254 -10.587 -10.126 1.00 0.00 N ATOM 1573 CA VAL A 101 9.547 -9.967 -10.388 1.00 0.00 C ATOM 1574 C VAL A 101 9.528 -9.186 -11.697 1.00 0.00 C ATOM 1575 O VAL A 101 9.183 -9.724 -12.748 1.00 0.00 O ATOM 1576 CB VAL A 101 10.672 -11.018 -10.446 1.00 0.00 C ATOM 1577 CG1 VAL A 101 12.003 -10.357 -10.773 1.00 0.00 C ATOM 1578 CG2 VAL A 101 10.756 -11.782 -9.134 1.00 0.00 C ATOM 0 H VAL A 101 8.203 -11.576 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 101 9.742 -9.282 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 101 10.441 -11.729 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 101 12.786 -11.114 -10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 101 11.934 -9.859 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 101 12.244 -9.623 -10.004 1.00 0.00 H new ATOM 0 HG21 VAL A 101 11.556 -12.520 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 101 10.963 -11.087 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 101 9.809 -12.288 -8.946 1.00 0.00 H new ATOM 1588 N GLY A 102 9.901 -7.912 -11.626 1.00 0.00 N ATOM 1589 CA GLY A 102 9.919 -7.077 -12.813 1.00 0.00 C ATOM 1590 C GLY A 102 9.915 -5.598 -12.481 1.00 0.00 C ATOM 1591 O GLY A 102 8.872 -5.029 -12.160 1.00 0.00 O ATOM 0 H GLY A 102 10.191 -7.443 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.804 -7.311 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.052 -7.310 -13.431 1.00 0.00 H new ATOM 1595 N GLY A 103 11.086 -4.973 -12.557 1.00 0.00 N ATOM 1596 CA GLY A 103 11.192 -3.556 -12.257 1.00 0.00 C ATOM 1597 C GLY A 103 12.565 -2.999 -12.570 1.00 0.00 C ATOM 1598 O GLY A 103 13.177 -2.331 -11.736 1.00 0.00 O ATOM 0 H GLY A 103 11.963 -5.422 -12.821 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.442 -3.010 -12.829 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.969 -3.393 -11.203 1.00 0.00 H new ATOM 1602 N SER A 104 13.054 -3.274 -13.776 1.00 0.00 N ATOM 1603 CA SER A 104 14.367 -2.799 -14.195 1.00 0.00 C ATOM 1604 C SER A 104 14.591 -3.061 -15.681 1.00 0.00 C ATOM 1605 O SER A 104 14.019 -3.990 -16.253 1.00 0.00 O ATOM 1606 CB SER A 104 15.465 -3.480 -13.374 1.00 0.00 C ATOM 1607 OG SER A 104 15.587 -4.848 -13.724 1.00 0.00 O ATOM 0 H SER A 104 12.560 -3.823 -14.479 1.00 0.00 H new ATOM 0 HA SER A 104 14.409 -1.723 -14.023 1.00 0.00 H new ATOM 0 HB2 SER A 104 16.415 -2.973 -13.540 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.237 -3.392 -12.312 1.00 0.00 H new ATOM 0 HG SER A 104 16.296 -5.261 -13.188 1.00 0.00 H new ATOM 1613 N GLY A 105 15.427 -2.235 -16.303 1.00 0.00 N ATOM 1614 CA GLY A 105 15.712 -2.393 -17.717 1.00 0.00 C ATOM 1615 C GLY A 105 14.919 -1.431 -18.579 1.00 0.00 C ATOM 1616 O GLY A 105 14.016 -1.824 -19.316 1.00 0.00 O ATOM 0 H GLY A 105 15.912 -1.459 -15.852 1.00 0.00 H new ATOM 0 HA2 GLY A 105 16.777 -2.237 -17.889 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.487 -3.416 -18.018 1.00 0.00 H new ATOM 1620 N PRO A 106 15.256 -0.135 -18.489 1.00 0.00 N ATOM 1621 CA PRO A 106 14.580 0.913 -19.259 1.00 0.00 C ATOM 1622 C PRO A 106 14.895 0.832 -20.750 1.00 0.00 C ATOM 1623 O PRO A 106 16.004 0.467 -21.140 1.00 0.00 O ATOM 1624 CB PRO A 106 15.139 2.207 -18.664 1.00 0.00 C ATOM 1625 CG PRO A 106 16.467 1.825 -18.106 1.00 0.00 C ATOM 1626 CD PRO A 106 16.323 0.405 -17.630 1.00 0.00 C ATOM 0 HA PRO A 106 13.495 0.831 -19.193 1.00 0.00 H new ATOM 0 HB2 PRO A 106 15.237 2.982 -19.424 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.483 2.602 -17.889 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.246 1.906 -18.864 1.00 0.00 H new ATOM 0 HG3 PRO A 106 16.750 2.485 -17.286 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.252 -0.153 -17.744 1.00 0.00 H new ATOM 0 HD3 PRO A 106 16.051 0.360 -16.575 1.00 0.00 H new ATOM 1634 N SER A 107 13.913 1.176 -21.577 1.00 0.00 N ATOM 1635 CA SER A 107 14.086 1.139 -23.024 1.00 0.00 C ATOM 1636 C SER A 107 14.504 2.505 -23.557 1.00 0.00 C ATOM 1637 O SER A 107 13.681 3.411 -23.691 1.00 0.00 O ATOM 1638 CB SER A 107 12.789 0.690 -23.703 1.00 0.00 C ATOM 1639 OG SER A 107 12.527 -0.678 -23.446 1.00 0.00 O ATOM 0 H SER A 107 12.990 1.483 -21.270 1.00 0.00 H new ATOM 0 HA SER A 107 14.875 0.422 -23.252 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.958 1.297 -23.344 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.862 0.854 -24.778 1.00 0.00 H new ATOM 0 HG SER A 107 11.693 -0.940 -23.889 1.00 0.00 H new ATOM 1645 N SER A 108 15.792 2.647 -23.859 1.00 0.00 N ATOM 1646 CA SER A 108 16.322 3.904 -24.372 1.00 0.00 C ATOM 1647 C SER A 108 15.466 4.426 -25.524 1.00 0.00 C ATOM 1648 O SER A 108 15.410 3.821 -26.593 1.00 0.00 O ATOM 1649 CB SER A 108 17.767 3.719 -24.840 1.00 0.00 C ATOM 1650 OG SER A 108 18.268 4.905 -25.431 1.00 0.00 O ATOM 0 H SER A 108 16.486 1.907 -23.757 1.00 0.00 H new ATOM 0 HA SER A 108 16.299 4.636 -23.564 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.394 3.438 -23.993 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.818 2.901 -25.559 1.00 0.00 H new ATOM 0 HG SER A 108 19.193 4.761 -25.720 1.00 0.00 H new ATOM 1656 N GLY A 109 14.800 5.554 -25.294 1.00 0.00 N ATOM 1657 CA GLY A 109 13.957 6.138 -26.319 1.00 0.00 C ATOM 1658 C GLY A 109 14.470 7.481 -26.797 1.00 0.00 C ATOM 1659 O GLY A 109 13.734 8.250 -27.416 1.00 0.00 O ATOM 0 H GLY A 109 14.830 6.073 -24.416 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.894 5.455 -27.166 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.946 6.257 -25.929 1.00 0.00 H new TER 1663 GLY A 109