USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 HIS : no HD1:sc= -3.01! C(o=-3.2!,f=-6.1!) USER MOD Set 1.2: A 98 SER OG : rot -87:sc= -0.151 USER MOD Set 2.1: A 71 ASN : amide:sc= -0.388! C(o=0.069!,f=-3.6!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -166:sc= 0.457 (180deg=-0.22) USER MOD Set 3.1: A 50 SER OG : rot -90:sc= 0.139 USER MOD Set 3.2: A 65 HIS : no HD1:sc= -0.983 K(o=-0.84,f=-1.8) USER MOD Set 4.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 0 X(o=0,f=0.47) USER MOD Set 5.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.609 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 143:sc= -0.586 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.39) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 23 SER OG : rot -77:sc= -0.168 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -1.83 (180deg=-4.2!) USER MOD Single : A 37 MET CE :methyl 136:sc= -1.14 (180deg=-5.87!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.18) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 16:sc= -0.354 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.5) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.011 (180deg=-0.176) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= -0.0222 (180deg=-1.01) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 74 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 81 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.35) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc=-0.000408 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HE2:sc= -0.923 K(o=-0.92,f=-2.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.768! C(o=-0.77!,f=-0.76!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.999 K(o=-1,f=-0.22) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.549 -17.246 -6.988 1.00 0.00 N ATOM 2 CA GLY A 1 22.800 -16.011 -7.125 1.00 0.00 C ATOM 3 C GLY A 1 21.313 -16.250 -7.291 1.00 0.00 C ATOM 4 O GLY A 1 20.890 -16.975 -8.191 1.00 0.00 O ATOM 0 H1 GLY A 1 24.560 -17.028 -6.877 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.213 -17.765 -6.152 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.412 -17.831 -7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.969 -15.388 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.174 -15.457 -7.986 1.00 0.00 H new ATOM 8 N SER A 2 20.516 -15.640 -6.418 1.00 0.00 N ATOM 9 CA SER A 2 19.067 -15.796 -6.468 1.00 0.00 C ATOM 10 C SER A 2 18.390 -14.471 -6.811 1.00 0.00 C ATOM 11 O SER A 2 18.524 -13.488 -6.084 1.00 0.00 O ATOM 12 CB SER A 2 18.542 -16.317 -5.129 1.00 0.00 C ATOM 13 OG SER A 2 18.636 -15.324 -4.123 1.00 0.00 O ATOM 0 H SER A 2 20.850 -15.034 -5.668 1.00 0.00 H new ATOM 0 HA SER A 2 18.831 -16.519 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.504 -16.630 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.111 -17.197 -4.830 1.00 0.00 H new ATOM 0 HG SER A 2 18.784 -14.449 -4.540 1.00 0.00 H new ATOM 19 N SER A 3 17.665 -14.457 -7.924 1.00 0.00 N ATOM 20 CA SER A 3 16.969 -13.253 -8.367 1.00 0.00 C ATOM 21 C SER A 3 15.475 -13.516 -8.524 1.00 0.00 C ATOM 22 O SER A 3 15.011 -14.644 -8.364 1.00 0.00 O ATOM 23 CB SER A 3 17.554 -12.761 -9.692 1.00 0.00 C ATOM 24 OG SER A 3 17.400 -13.733 -10.711 1.00 0.00 O ATOM 0 H SER A 3 17.544 -15.264 -8.536 1.00 0.00 H new ATOM 0 HA SER A 3 17.106 -12.483 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.060 -11.836 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.611 -12.530 -9.563 1.00 0.00 H new ATOM 0 HG SER A 3 17.781 -13.393 -11.548 1.00 0.00 H new ATOM 30 N GLY A 4 14.725 -12.464 -8.838 1.00 0.00 N ATOM 31 CA GLY A 4 13.291 -12.599 -9.011 1.00 0.00 C ATOM 32 C GLY A 4 12.528 -12.391 -7.718 1.00 0.00 C ATOM 33 O GLY A 4 13.100 -12.483 -6.630 1.00 0.00 O ATOM 0 H GLY A 4 15.086 -11.520 -8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.948 -11.877 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.068 -13.590 -9.405 1.00 0.00 H new ATOM 37 N SER A 5 11.235 -12.109 -7.834 1.00 0.00 N ATOM 38 CA SER A 5 10.394 -11.881 -6.665 1.00 0.00 C ATOM 39 C SER A 5 9.678 -13.164 -6.252 1.00 0.00 C ATOM 40 O SER A 5 9.838 -14.208 -6.884 1.00 0.00 O ATOM 41 CB SER A 5 9.370 -10.782 -6.953 1.00 0.00 C ATOM 42 OG SER A 5 8.488 -11.167 -7.993 1.00 0.00 O ATOM 0 H SER A 5 10.746 -12.033 -8.726 1.00 0.00 H new ATOM 0 HA SER A 5 11.036 -11.563 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.800 -10.566 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.886 -9.863 -7.231 1.00 0.00 H new ATOM 0 HG SER A 5 7.587 -10.835 -7.798 1.00 0.00 H new ATOM 48 N SER A 6 8.885 -13.076 -5.189 1.00 0.00 N ATOM 49 CA SER A 6 8.146 -14.229 -4.689 1.00 0.00 C ATOM 50 C SER A 6 6.642 -13.983 -4.758 1.00 0.00 C ATOM 51 O SER A 6 6.041 -13.473 -3.815 1.00 0.00 O ATOM 52 CB SER A 6 8.558 -14.540 -3.249 1.00 0.00 C ATOM 53 OG SER A 6 9.855 -15.107 -3.200 1.00 0.00 O ATOM 0 H SER A 6 8.738 -12.218 -4.657 1.00 0.00 H new ATOM 0 HA SER A 6 8.385 -15.084 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.535 -13.626 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.840 -15.228 -2.803 1.00 0.00 H new ATOM 0 HG SER A 6 10.095 -15.295 -2.269 1.00 0.00 H new ATOM 59 N GLY A 7 6.040 -14.350 -5.886 1.00 0.00 N ATOM 60 CA GLY A 7 4.612 -14.161 -6.060 1.00 0.00 C ATOM 61 C GLY A 7 4.251 -12.722 -6.373 1.00 0.00 C ATOM 62 O GLY A 7 5.088 -11.825 -6.260 1.00 0.00 O ATOM 0 H GLY A 7 6.516 -14.775 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.259 -14.804 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.094 -14.473 -5.153 1.00 0.00 H new ATOM 66 N LEU A 8 3.003 -12.499 -6.769 1.00 0.00 N ATOM 67 CA LEU A 8 2.533 -11.159 -7.100 1.00 0.00 C ATOM 68 C LEU A 8 3.621 -10.361 -7.810 1.00 0.00 C ATOM 69 O LEU A 8 3.863 -9.198 -7.487 1.00 0.00 O ATOM 70 CB LEU A 8 2.090 -10.425 -5.834 1.00 0.00 C ATOM 71 CG LEU A 8 1.054 -11.143 -4.968 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.223 -10.762 -3.506 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.355 -10.822 -5.446 1.00 0.00 C ATOM 0 H LEU A 8 2.298 -13.229 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 8 1.681 -11.255 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.972 -10.231 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.683 -9.456 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 8 1.212 -12.217 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.477 -11.283 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.221 -11.044 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.093 -9.686 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.079 -11.341 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.525 -9.747 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.471 -11.147 -6.480 1.00 0.00 H new ATOM 85 N ASP A 9 4.273 -10.992 -8.780 1.00 0.00 N ATOM 86 CA ASP A 9 5.334 -10.340 -9.539 1.00 0.00 C ATOM 87 C ASP A 9 4.755 -9.507 -10.678 1.00 0.00 C ATOM 88 O ASP A 9 5.134 -8.353 -10.872 1.00 0.00 O ATOM 89 CB ASP A 9 6.307 -11.381 -10.095 1.00 0.00 C ATOM 90 CG ASP A 9 7.543 -10.750 -10.706 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.911 -9.636 -10.281 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.142 -11.371 -11.609 1.00 0.00 O ATOM 0 H ASP A 9 4.085 -11.955 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 9 5.873 -9.675 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.606 -12.058 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.799 -11.983 -10.849 1.00 0.00 H new ATOM 97 N ASP A 10 3.835 -10.104 -11.430 1.00 0.00 N ATOM 98 CA ASP A 10 3.203 -9.417 -12.551 1.00 0.00 C ATOM 99 C ASP A 10 2.956 -7.949 -12.221 1.00 0.00 C ATOM 100 O ASP A 10 3.329 -7.059 -12.985 1.00 0.00 O ATOM 101 CB ASP A 10 1.883 -10.099 -12.916 1.00 0.00 C ATOM 102 CG ASP A 10 2.083 -11.302 -13.815 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.685 -12.295 -13.354 1.00 0.00 O ATOM 104 OD2 ASP A 10 1.637 -11.252 -14.981 1.00 0.00 O ATOM 0 H ASP A 10 3.511 -11.060 -11.284 1.00 0.00 H new ATOM 0 HA ASP A 10 3.879 -9.470 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.374 -10.411 -12.004 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.232 -9.381 -13.414 1.00 0.00 H new ATOM 109 N TYR A 11 2.326 -7.703 -11.077 1.00 0.00 N ATOM 110 CA TYR A 11 2.026 -6.342 -10.647 1.00 0.00 C ATOM 111 C TYR A 11 3.307 -5.531 -10.475 1.00 0.00 C ATOM 112 O TYR A 11 4.411 -6.077 -10.508 1.00 0.00 O ATOM 113 CB TYR A 11 1.242 -6.361 -9.334 1.00 0.00 C ATOM 114 CG TYR A 11 0.017 -7.247 -9.375 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.976 -7.050 -10.325 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.146 -8.282 -8.462 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.098 -7.856 -10.364 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.263 -9.094 -8.494 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.236 -8.877 -9.447 1.00 0.00 C ATOM 120 OH TYR A 11 -3.351 -9.683 -9.484 1.00 0.00 O ATOM 0 H TYR A 11 2.013 -8.428 -10.431 1.00 0.00 H new ATOM 0 HA TYR A 11 1.418 -5.870 -11.419 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.899 -6.700 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.937 -5.344 -9.088 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.870 -6.253 -11.046 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.614 -8.454 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.862 -7.687 -11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.374 -9.894 -7.777 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.294 -10.354 -8.772 1.00 0.00 H new ATOM 130 N ASP A 12 3.152 -4.225 -10.290 1.00 0.00 N ATOM 131 CA ASP A 12 4.294 -3.336 -10.110 1.00 0.00 C ATOM 132 C ASP A 12 4.401 -2.874 -8.660 1.00 0.00 C ATOM 133 O ASP A 12 5.403 -3.125 -7.991 1.00 0.00 O ATOM 134 CB ASP A 12 4.176 -2.126 -11.036 1.00 0.00 C ATOM 135 CG ASP A 12 4.363 -2.492 -12.496 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.475 -2.933 -12.859 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.399 -2.340 -13.274 1.00 0.00 O ATOM 0 H ASP A 12 2.246 -3.758 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 12 5.198 -3.891 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.197 -1.665 -10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.920 -1.382 -10.753 1.00 0.00 H new ATOM 142 N TRP A 13 3.363 -2.198 -8.183 1.00 0.00 N ATOM 143 CA TRP A 13 3.341 -1.700 -6.811 1.00 0.00 C ATOM 144 C TRP A 13 3.997 -2.694 -5.860 1.00 0.00 C ATOM 145 O TRP A 13 4.680 -2.304 -4.914 1.00 0.00 O ATOM 146 CB TRP A 13 1.901 -1.427 -6.370 1.00 0.00 C ATOM 147 CG TRP A 13 0.914 -2.413 -6.916 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.162 -2.278 -8.048 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.573 -3.685 -6.355 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.628 -3.389 -8.223 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.394 -4.267 -7.198 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.990 -4.389 -5.222 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -0.947 -5.518 -6.942 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.439 -5.631 -4.969 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.521 -6.185 -5.826 1.00 0.00 C ATOM 0 H TRP A 13 2.526 -1.982 -8.724 1.00 0.00 H new ATOM 0 HA TRP A 13 3.907 -0.769 -6.779 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.853 -1.442 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.615 -0.424 -6.688 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.185 -1.424 -8.709 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.282 -3.536 -8.992 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.730 -3.970 -4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.687 -5.947 -7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.754 -6.184 -4.096 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.933 -7.158 -5.601 1.00 0.00 H new ATOM 166 N PHE A 14 3.785 -3.981 -6.117 1.00 0.00 N ATOM 167 CA PHE A 14 4.356 -5.032 -5.283 1.00 0.00 C ATOM 168 C PHE A 14 5.864 -4.851 -5.138 1.00 0.00 C ATOM 169 O PHE A 14 6.642 -5.360 -5.946 1.00 0.00 O ATOM 170 CB PHE A 14 4.051 -6.408 -5.877 1.00 0.00 C ATOM 171 CG PHE A 14 4.577 -7.548 -5.053 1.00 0.00 C ATOM 172 CD1 PHE A 14 4.033 -7.830 -3.811 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.616 -8.336 -5.520 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.515 -8.879 -3.050 1.00 0.00 C ATOM 175 CE2 PHE A 14 6.101 -9.386 -4.764 1.00 0.00 C ATOM 176 CZ PHE A 14 5.551 -9.657 -3.526 1.00 0.00 C ATOM 0 H PHE A 14 3.222 -4.321 -6.896 1.00 0.00 H new ATOM 0 HA PHE A 14 3.902 -4.963 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.972 -6.517 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.479 -6.466 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.223 -7.224 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.052 -8.127 -6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.081 -9.089 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.910 -9.995 -5.141 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.931 -10.475 -2.932 1.00 0.00 H new ATOM 186 N ALA A 15 6.271 -4.123 -4.103 1.00 0.00 N ATOM 187 CA ALA A 15 7.685 -3.876 -3.851 1.00 0.00 C ATOM 188 C ALA A 15 8.272 -4.940 -2.929 1.00 0.00 C ATOM 189 O ALA A 15 8.430 -4.718 -1.730 1.00 0.00 O ATOM 190 CB ALA A 15 7.881 -2.491 -3.254 1.00 0.00 C ATOM 0 H ALA A 15 5.641 -3.694 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 15 8.213 -3.926 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.942 -2.320 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.507 -1.739 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.335 -2.420 -2.314 1.00 0.00 H new ATOM 196 N GLY A 16 8.593 -6.099 -3.498 1.00 0.00 N ATOM 197 CA GLY A 16 9.158 -7.180 -2.711 1.00 0.00 C ATOM 198 C GLY A 16 10.669 -7.106 -2.625 1.00 0.00 C ATOM 199 O GLY A 16 11.308 -6.407 -3.410 1.00 0.00 O ATOM 0 H GLY A 16 8.472 -6.308 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.738 -7.151 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.868 -8.135 -3.150 1.00 0.00 H new ATOM 203 N ASN A 17 11.241 -7.828 -1.667 1.00 0.00 N ATOM 204 CA ASN A 17 12.687 -7.838 -1.479 1.00 0.00 C ATOM 205 C ASN A 17 13.193 -6.459 -1.068 1.00 0.00 C ATOM 206 O ASN A 17 14.207 -5.980 -1.579 1.00 0.00 O ATOM 207 CB ASN A 17 13.386 -8.287 -2.764 1.00 0.00 C ATOM 208 CG ASN A 17 14.872 -8.517 -2.565 1.00 0.00 C ATOM 209 OD1 ASN A 17 15.281 -9.278 -1.688 1.00 0.00 O ATOM 210 ND2 ASN A 17 15.686 -7.857 -3.379 1.00 0.00 N ATOM 0 H ASN A 17 10.726 -8.413 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 17 12.919 -8.543 -0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.924 -9.207 -3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.238 -7.533 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.696 -7.970 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 15.302 -7.237 -4.092 1.00 0.00 H new ATOM 217 N ILE A 18 12.481 -5.825 -0.143 1.00 0.00 N ATOM 218 CA ILE A 18 12.859 -4.501 0.338 1.00 0.00 C ATOM 219 C ILE A 18 13.395 -4.567 1.764 1.00 0.00 C ATOM 220 O ILE A 18 13.464 -5.639 2.364 1.00 0.00 O ATOM 221 CB ILE A 18 11.668 -3.526 0.294 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.539 -4.024 1.197 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.175 -3.356 -1.135 1.00 0.00 C ATOM 224 CD1 ILE A 18 10.629 -3.510 2.617 1.00 0.00 C ATOM 0 H ILE A 18 11.639 -6.206 0.289 1.00 0.00 H new ATOM 0 HA ILE A 18 13.643 -4.135 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 18 11.999 -2.555 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.583 -3.722 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.551 -5.114 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.333 -2.664 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.981 -2.960 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.858 -4.322 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.796 -3.904 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.569 -3.835 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.586 -2.421 2.613 1.00 0.00 H new ATOM 236 N SER A 19 13.773 -3.411 2.302 1.00 0.00 N ATOM 237 CA SER A 19 14.306 -3.337 3.657 1.00 0.00 C ATOM 238 C SER A 19 13.624 -2.225 4.448 1.00 0.00 C ATOM 239 O SER A 19 12.725 -1.551 3.945 1.00 0.00 O ATOM 240 CB SER A 19 15.816 -3.101 3.622 1.00 0.00 C ATOM 241 OG SER A 19 16.449 -3.674 4.754 1.00 0.00 O ATOM 0 H SER A 19 13.720 -2.514 1.820 1.00 0.00 H new ATOM 0 HA SER A 19 14.106 -4.287 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.233 -3.531 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.019 -2.031 3.591 1.00 0.00 H new ATOM 0 HG SER A 19 17.414 -3.511 4.707 1.00 0.00 H new ATOM 247 N ARG A 20 14.057 -2.040 5.691 1.00 0.00 N ATOM 248 CA ARG A 20 13.489 -1.011 6.553 1.00 0.00 C ATOM 249 C ARG A 20 13.675 0.374 5.943 1.00 0.00 C ATOM 250 O ARG A 20 12.860 1.272 6.154 1.00 0.00 O ATOM 251 CB ARG A 20 14.137 -1.061 7.938 1.00 0.00 C ATOM 252 CG ARG A 20 14.012 -2.413 8.621 1.00 0.00 C ATOM 253 CD ARG A 20 12.726 -2.512 9.428 1.00 0.00 C ATOM 254 NE ARG A 20 12.840 -1.849 10.724 1.00 0.00 N ATOM 255 CZ ARG A 20 13.373 -2.420 11.797 1.00 0.00 C ATOM 256 NH1 ARG A 20 13.840 -3.660 11.731 1.00 0.00 N ATOM 257 NH2 ARG A 20 13.443 -1.751 12.942 1.00 0.00 N ATOM 0 H ARG A 20 14.800 -2.590 6.123 1.00 0.00 H new ATOM 0 HA ARG A 20 12.421 -1.205 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.193 -0.807 7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.680 -0.300 8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.035 -3.204 7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.868 -2.571 9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.908 -2.065 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.473 -3.561 9.579 1.00 0.00 H new ATOM 0 HE ARG A 20 12.491 -0.894 10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.790 -4.178 10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.249 -4.096 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.087 -0.797 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.853 -2.191 13.766 1.00 0.00 H new ATOM 271 N SER A 21 14.754 0.541 5.183 1.00 0.00 N ATOM 272 CA SER A 21 15.050 1.818 4.546 1.00 0.00 C ATOM 273 C SER A 21 14.310 1.947 3.218 1.00 0.00 C ATOM 274 O SER A 21 13.433 2.796 3.064 1.00 0.00 O ATOM 275 CB SER A 21 16.557 1.961 4.319 1.00 0.00 C ATOM 276 OG SER A 21 17.091 0.806 3.696 1.00 0.00 O ATOM 0 H SER A 21 15.437 -0.193 4.994 1.00 0.00 H new ATOM 0 HA SER A 21 14.712 2.614 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.753 2.836 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 21 17.057 2.128 5.273 1.00 0.00 H new ATOM 0 HG SER A 21 18.054 0.923 3.561 1.00 0.00 H new ATOM 282 N GLN A 22 14.670 1.095 2.261 1.00 0.00 N ATOM 283 CA GLN A 22 14.041 1.114 0.946 1.00 0.00 C ATOM 284 C GLN A 22 12.543 1.373 1.063 1.00 0.00 C ATOM 285 O GLN A 22 12.014 2.299 0.449 1.00 0.00 O ATOM 286 CB GLN A 22 14.287 -0.211 0.222 1.00 0.00 C ATOM 287 CG GLN A 22 15.555 -0.220 -0.617 1.00 0.00 C ATOM 288 CD GLN A 22 16.175 -1.599 -0.722 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.568 -2.527 -1.256 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.393 -1.741 -0.211 1.00 0.00 N ATOM 0 H GLN A 22 15.393 0.384 2.373 1.00 0.00 H new ATOM 0 HA GLN A 22 14.487 1.924 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.343 -1.013 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.434 -0.428 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.327 0.149 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.280 0.468 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.860 -0.945 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.861 -2.646 -0.253 1.00 0.00 H new ATOM 299 N SER A 23 11.865 0.549 1.855 1.00 0.00 N ATOM 300 CA SER A 23 10.426 0.687 2.049 1.00 0.00 C ATOM 301 C SER A 23 10.017 2.156 2.054 1.00 0.00 C ATOM 302 O SER A 23 9.086 2.554 1.355 1.00 0.00 O ATOM 303 CB SER A 23 10.001 0.023 3.361 1.00 0.00 C ATOM 304 OG SER A 23 10.426 0.783 4.478 1.00 0.00 O ATOM 0 H SER A 23 12.289 -0.221 2.373 1.00 0.00 H new ATOM 0 HA SER A 23 9.923 0.191 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.917 -0.086 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.423 -0.980 3.418 1.00 0.00 H new ATOM 0 HG SER A 23 11.384 0.640 4.625 1.00 0.00 H new ATOM 310 N GLU A 24 10.721 2.957 2.848 1.00 0.00 N ATOM 311 CA GLU A 24 10.430 4.384 2.945 1.00 0.00 C ATOM 312 C GLU A 24 11.135 5.158 1.835 1.00 0.00 C ATOM 313 O GLU A 24 10.493 5.845 1.040 1.00 0.00 O ATOM 314 CB GLU A 24 10.859 4.923 4.311 1.00 0.00 C ATOM 315 CG GLU A 24 10.104 4.301 5.475 1.00 0.00 C ATOM 316 CD GLU A 24 10.382 5.003 6.790 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.438 4.725 7.398 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.546 5.827 7.212 1.00 0.00 O ATOM 0 H GLU A 24 11.496 2.643 3.433 1.00 0.00 H new ATOM 0 HA GLU A 24 9.354 4.519 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.926 4.744 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.712 6.003 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.034 4.334 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.380 3.250 5.563 1.00 0.00 H new ATOM 325 N GLN A 25 12.458 5.043 1.789 1.00 0.00 N ATOM 326 CA GLN A 25 13.250 5.735 0.779 1.00 0.00 C ATOM 327 C GLN A 25 12.564 5.678 -0.582 1.00 0.00 C ATOM 328 O GLN A 25 12.235 6.710 -1.167 1.00 0.00 O ATOM 329 CB GLN A 25 14.646 5.119 0.686 1.00 0.00 C ATOM 330 CG GLN A 25 15.559 5.825 -0.301 1.00 0.00 C ATOM 331 CD GLN A 25 17.011 5.414 -0.154 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.702 5.854 0.764 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.480 4.564 -1.061 1.00 0.00 N ATOM 0 H GLN A 25 13.004 4.477 2.439 1.00 0.00 H new ATOM 0 HA GLN A 25 13.341 6.780 1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.108 5.138 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.553 4.072 0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.226 5.609 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.475 6.903 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.871 4.225 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.449 4.250 -1.013 1.00 0.00 H new ATOM 342 N LEU A 26 12.352 4.465 -1.082 1.00 0.00 N ATOM 343 CA LEU A 26 11.706 4.273 -2.375 1.00 0.00 C ATOM 344 C LEU A 26 10.636 5.335 -2.613 1.00 0.00 C ATOM 345 O LEU A 26 10.649 6.028 -3.632 1.00 0.00 O ATOM 346 CB LEU A 26 11.082 2.879 -2.455 1.00 0.00 C ATOM 347 CG LEU A 26 12.056 1.720 -2.674 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.408 0.399 -2.288 1.00 0.00 C ATOM 349 CD2 LEU A 26 12.524 1.683 -4.122 1.00 0.00 C ATOM 0 H LEU A 26 12.618 3.600 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 26 12.467 4.369 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.532 2.696 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.354 2.874 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 26 12.926 1.876 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.115 -0.414 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.123 0.427 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.521 0.236 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.216 0.852 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.664 1.551 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.027 2.619 -4.366 1.00 0.00 H new ATOM 361 N LEU A 27 9.713 5.459 -1.667 1.00 0.00 N ATOM 362 CA LEU A 27 8.637 6.438 -1.771 1.00 0.00 C ATOM 363 C LEU A 27 9.195 7.838 -2.008 1.00 0.00 C ATOM 364 O LEU A 27 8.885 8.477 -3.013 1.00 0.00 O ATOM 365 CB LEU A 27 7.785 6.426 -0.500 1.00 0.00 C ATOM 366 CG LEU A 27 6.597 5.463 -0.499 1.00 0.00 C ATOM 367 CD1 LEU A 27 5.768 5.637 -1.761 1.00 0.00 C ATOM 368 CD2 LEU A 27 7.076 4.025 -0.366 1.00 0.00 C ATOM 0 H LEU A 27 9.688 4.894 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 27 8.013 6.166 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.429 6.178 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.410 7.435 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 27 5.966 5.695 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.927 4.944 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.394 6.660 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.388 5.433 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.217 3.354 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.729 3.780 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.626 3.909 0.568 1.00 0.00 H new ATOM 380 N ARG A 28 10.022 8.305 -1.078 1.00 0.00 N ATOM 381 CA ARG A 28 10.624 9.628 -1.188 1.00 0.00 C ATOM 382 C ARG A 28 11.191 9.853 -2.586 1.00 0.00 C ATOM 383 O ARG A 28 10.845 10.826 -3.257 1.00 0.00 O ATOM 384 CB ARG A 28 11.730 9.796 -0.144 1.00 0.00 C ATOM 385 CG ARG A 28 11.208 10.086 1.254 1.00 0.00 C ATOM 386 CD ARG A 28 12.239 9.737 2.317 1.00 0.00 C ATOM 387 NE ARG A 28 13.236 10.792 2.480 1.00 0.00 N ATOM 388 CZ ARG A 28 14.080 10.853 3.503 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.051 9.924 4.447 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.959 11.844 3.582 1.00 0.00 N ATOM 0 H ARG A 28 10.290 7.787 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 28 9.846 10.370 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.333 8.889 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.389 10.608 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.944 11.141 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.296 9.515 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.735 9.565 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.737 8.806 2.047 1.00 0.00 H new ATOM 0 HE ARG A 28 13.287 11.522 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.379 9.159 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.701 9.974 5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.987 12.560 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.607 11.890 4.369 1.00 0.00 H new ATOM 404 N GLN A 29 12.064 8.949 -3.017 1.00 0.00 N ATOM 405 CA GLN A 29 12.680 9.051 -4.335 1.00 0.00 C ATOM 406 C GLN A 29 11.698 9.620 -5.353 1.00 0.00 C ATOM 407 O GLN A 29 11.981 10.619 -6.014 1.00 0.00 O ATOM 408 CB GLN A 29 13.174 7.678 -4.797 1.00 0.00 C ATOM 409 CG GLN A 29 14.458 7.232 -4.115 1.00 0.00 C ATOM 410 CD GLN A 29 15.236 6.225 -4.938 1.00 0.00 C ATOM 411 OE1 GLN A 29 14.789 5.097 -5.145 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.408 6.629 -5.413 1.00 0.00 N ATOM 0 H GLN A 29 12.361 8.138 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 29 13.530 9.729 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.396 6.939 -4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.335 7.703 -5.875 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.086 8.103 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.217 6.795 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.740 7.573 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.977 5.995 -5.974 1.00 0.00 H new ATOM 421 N LYS A 30 10.541 8.977 -5.474 1.00 0.00 N ATOM 422 CA LYS A 30 9.514 9.419 -6.411 1.00 0.00 C ATOM 423 C LYS A 30 9.206 10.902 -6.221 1.00 0.00 C ATOM 424 O LYS A 30 9.444 11.714 -7.115 1.00 0.00 O ATOM 425 CB LYS A 30 8.238 8.595 -6.227 1.00 0.00 C ATOM 426 CG LYS A 30 7.425 8.441 -7.501 1.00 0.00 C ATOM 427 CD LYS A 30 8.011 7.377 -8.412 1.00 0.00 C ATOM 428 CE LYS A 30 7.463 5.996 -8.081 1.00 0.00 C ATOM 429 NZ LYS A 30 7.574 5.064 -9.237 1.00 0.00 N ATOM 0 H LYS A 30 10.291 8.148 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 30 9.892 9.271 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.505 7.606 -5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.618 9.066 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.398 8.179 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.390 9.394 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.784 7.620 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.097 7.372 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.005 5.585 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.418 6.082 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.190 4.135 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.036 5.444 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.573 4.962 -9.506 1.00 0.00 H new ATOM 443 N GLY A 31 8.677 11.246 -5.051 1.00 0.00 N ATOM 444 CA GLY A 31 8.347 12.630 -4.765 1.00 0.00 C ATOM 445 C GLY A 31 6.980 13.020 -5.292 1.00 0.00 C ATOM 446 O GLY A 31 6.831 14.046 -5.955 1.00 0.00 O ATOM 0 H GLY A 31 8.471 10.591 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.378 12.793 -3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.103 13.279 -5.207 1.00 0.00 H new ATOM 450 N LYS A 32 5.978 12.199 -4.996 1.00 0.00 N ATOM 451 CA LYS A 32 4.615 12.463 -5.444 1.00 0.00 C ATOM 452 C LYS A 32 3.606 12.092 -4.362 1.00 0.00 C ATOM 453 O LYS A 32 3.392 10.915 -4.077 1.00 0.00 O ATOM 454 CB LYS A 32 4.317 11.679 -6.724 1.00 0.00 C ATOM 455 CG LYS A 32 4.880 10.268 -6.719 1.00 0.00 C ATOM 456 CD LYS A 32 4.076 9.344 -7.618 1.00 0.00 C ATOM 457 CE LYS A 32 4.275 9.686 -9.087 1.00 0.00 C ATOM 458 NZ LYS A 32 5.466 8.999 -9.660 1.00 0.00 N ATOM 0 H LYS A 32 6.084 11.345 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 32 4.526 13.530 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.238 11.630 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.727 12.222 -7.576 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.918 10.288 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.879 9.878 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.374 8.311 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.018 9.418 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.386 9.402 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.390 10.764 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.310 8.820 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.305 9.601 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.615 8.095 -9.168 1.00 0.00 H new ATOM 472 N GLU A 33 2.990 13.107 -3.762 1.00 0.00 N ATOM 473 CA GLU A 33 2.002 12.886 -2.712 1.00 0.00 C ATOM 474 C GLU A 33 0.865 11.998 -3.211 1.00 0.00 C ATOM 475 O GLU A 33 -0.117 12.485 -3.768 1.00 0.00 O ATOM 476 CB GLU A 33 1.442 14.222 -2.219 1.00 0.00 C ATOM 477 CG GLU A 33 1.040 15.164 -3.341 1.00 0.00 C ATOM 478 CD GLU A 33 0.003 16.181 -2.905 1.00 0.00 C ATOM 479 OE1 GLU A 33 -0.744 15.894 -1.946 1.00 0.00 O ATOM 480 OE2 GLU A 33 -0.062 17.265 -3.524 1.00 0.00 O ATOM 0 H GLU A 33 3.158 14.088 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 33 2.498 12.380 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.574 14.032 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.190 14.712 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.924 15.686 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.646 14.583 -4.175 1.00 0.00 H new ATOM 487 N GLY A 34 1.009 10.693 -3.006 1.00 0.00 N ATOM 488 CA GLY A 34 -0.012 9.757 -3.442 1.00 0.00 C ATOM 489 C GLY A 34 0.561 8.401 -3.801 1.00 0.00 C ATOM 490 O GLY A 34 -0.178 7.427 -3.953 1.00 0.00 O ATOM 0 H GLY A 34 1.813 10.267 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.753 9.637 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.533 10.169 -4.307 1.00 0.00 H new ATOM 494 N ALA A 35 1.880 8.335 -3.941 1.00 0.00 N ATOM 495 CA ALA A 35 2.552 7.087 -4.286 1.00 0.00 C ATOM 496 C ALA A 35 2.232 5.995 -3.272 1.00 0.00 C ATOM 497 O ALA A 35 1.891 6.278 -2.124 1.00 0.00 O ATOM 498 CB ALA A 35 4.055 7.304 -4.376 1.00 0.00 C ATOM 0 H ALA A 35 2.506 9.131 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 35 2.185 6.762 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.543 6.364 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.270 8.048 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.430 7.656 -3.415 1.00 0.00 H new ATOM 504 N PHE A 36 2.343 4.742 -3.704 1.00 0.00 N ATOM 505 CA PHE A 36 2.064 3.606 -2.834 1.00 0.00 C ATOM 506 C PHE A 36 2.857 2.378 -3.273 1.00 0.00 C ATOM 507 O PHE A 36 3.517 2.390 -4.312 1.00 0.00 O ATOM 508 CB PHE A 36 0.567 3.288 -2.839 1.00 0.00 C ATOM 509 CG PHE A 36 0.160 2.336 -3.926 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.233 2.712 -5.258 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.296 1.065 -3.616 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.142 1.838 -6.260 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.673 0.186 -4.615 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.594 0.573 -5.938 1.00 0.00 C ATOM 0 H PHE A 36 2.624 4.489 -4.651 1.00 0.00 H new ATOM 0 HA PHE A 36 2.369 3.872 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.291 2.864 -1.874 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.007 4.216 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.587 3.699 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.358 0.757 -2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.082 2.143 -7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.029 -0.802 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.885 -0.112 -6.720 1.00 0.00 H new ATOM 524 N MET A 37 2.788 1.319 -2.472 1.00 0.00 N ATOM 525 CA MET A 37 3.499 0.083 -2.777 1.00 0.00 C ATOM 526 C MET A 37 3.030 -1.051 -1.871 1.00 0.00 C ATOM 527 O MET A 37 2.116 -0.878 -1.065 1.00 0.00 O ATOM 528 CB MET A 37 5.008 0.285 -2.622 1.00 0.00 C ATOM 529 CG MET A 37 5.436 0.591 -1.197 1.00 0.00 C ATOM 530 SD MET A 37 7.100 -0.001 -0.830 1.00 0.00 S ATOM 531 CE MET A 37 8.064 0.946 -2.005 1.00 0.00 C ATOM 0 H MET A 37 2.247 1.292 -1.608 1.00 0.00 H new ATOM 0 HA MET A 37 3.281 -0.187 -3.810 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.523 -0.613 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.326 1.101 -3.271 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.393 1.668 -1.032 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.730 0.134 -0.503 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.956 1.336 -1.514 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.358 0.304 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.466 1.776 -2.382 1.00 0.00 H new ATOM 541 N VAL A 38 3.663 -2.212 -2.009 1.00 0.00 N ATOM 542 CA VAL A 38 3.310 -3.375 -1.202 1.00 0.00 C ATOM 543 C VAL A 38 4.518 -4.279 -0.986 1.00 0.00 C ATOM 544 O VAL A 38 4.993 -4.933 -1.915 1.00 0.00 O ATOM 545 CB VAL A 38 2.182 -4.193 -1.859 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.819 -5.391 -0.994 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.965 -3.315 -2.107 1.00 0.00 C ATOM 0 H VAL A 38 4.422 -2.372 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 38 2.963 -2.999 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 38 2.536 -4.564 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.021 -5.957 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.694 -6.030 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.482 -5.045 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.177 -3.908 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.606 -2.914 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.238 -2.493 -2.768 1.00 0.00 H new ATOM 557 N ARG A 39 5.012 -4.312 0.248 1.00 0.00 N ATOM 558 CA ARG A 39 6.166 -5.135 0.587 1.00 0.00 C ATOM 559 C ARG A 39 5.727 -6.448 1.230 1.00 0.00 C ATOM 560 O ARG A 39 4.556 -6.629 1.556 1.00 0.00 O ATOM 561 CB ARG A 39 7.100 -4.379 1.534 1.00 0.00 C ATOM 562 CG ARG A 39 6.439 -3.970 2.842 1.00 0.00 C ATOM 563 CD ARG A 39 7.345 -3.066 3.664 1.00 0.00 C ATOM 564 NE ARG A 39 8.285 -3.828 4.480 1.00 0.00 N ATOM 565 CZ ARG A 39 9.168 -3.269 5.300 1.00 0.00 C ATOM 566 NH1 ARG A 39 9.231 -1.949 5.412 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.990 -4.031 6.011 1.00 0.00 N ATOM 0 H ARG A 39 4.631 -3.778 1.029 1.00 0.00 H new ATOM 0 HA ARG A 39 6.701 -5.362 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.965 -5.004 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.471 -3.487 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.502 -3.454 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.190 -4.860 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.898 -2.404 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.736 -2.433 4.309 1.00 0.00 H new ATOM 0 HE ARG A 39 8.263 -4.846 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.600 -1.360 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.910 -1.522 6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.944 -5.047 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.668 -3.601 6.640 1.00 0.00 H new ATOM 581 N ASN A 40 6.677 -7.360 1.409 1.00 0.00 N ATOM 582 CA ASN A 40 6.387 -8.657 2.011 1.00 0.00 C ATOM 583 C ASN A 40 6.650 -8.629 3.514 1.00 0.00 C ATOM 584 O ASN A 40 7.712 -8.198 3.961 1.00 0.00 O ATOM 585 CB ASN A 40 7.236 -9.748 1.354 1.00 0.00 C ATOM 586 CG ASN A 40 7.105 -11.084 2.060 1.00 0.00 C ATOM 587 OD1 ASN A 40 6.030 -11.685 2.079 1.00 0.00 O ATOM 588 ND2 ASN A 40 8.200 -11.557 2.642 1.00 0.00 N ATOM 0 H ASN A 40 7.653 -7.225 1.146 1.00 0.00 H new ATOM 0 HA ASN A 40 5.332 -8.879 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.937 -9.860 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.282 -9.441 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.172 -12.452 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.069 -11.025 2.601 1.00 0.00 H new ATOM 595 N SER A 41 5.674 -9.092 4.288 1.00 0.00 N ATOM 596 CA SER A 41 5.796 -9.117 5.741 1.00 0.00 C ATOM 597 C SER A 41 6.696 -10.265 6.189 1.00 0.00 C ATOM 598 O SER A 41 7.031 -11.150 5.403 1.00 0.00 O ATOM 599 CB SER A 41 4.417 -9.253 6.388 1.00 0.00 C ATOM 600 OG SER A 41 4.398 -8.662 7.676 1.00 0.00 O ATOM 0 H SER A 41 4.789 -9.455 3.933 1.00 0.00 H new ATOM 0 HA SER A 41 6.247 -8.177 6.060 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.667 -8.779 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.150 -10.307 6.464 1.00 0.00 H new ATOM 0 HG SER A 41 3.505 -8.761 8.068 1.00 0.00 H new ATOM 606 N SER A 42 7.083 -10.242 7.461 1.00 0.00 N ATOM 607 CA SER A 42 7.947 -11.277 8.016 1.00 0.00 C ATOM 608 C SER A 42 7.295 -12.651 7.894 1.00 0.00 C ATOM 609 O SER A 42 7.944 -13.626 7.516 1.00 0.00 O ATOM 610 CB SER A 42 8.260 -10.978 9.483 1.00 0.00 C ATOM 611 OG SER A 42 9.352 -10.081 9.599 1.00 0.00 O ATOM 0 H SER A 42 6.812 -9.518 8.126 1.00 0.00 H new ATOM 0 HA SER A 42 8.877 -11.282 7.447 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.381 -10.550 9.966 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.491 -11.906 10.005 1.00 0.00 H new ATOM 0 HG SER A 42 9.531 -9.904 10.546 1.00 0.00 H new ATOM 617 N GLN A 43 6.008 -12.720 8.216 1.00 0.00 N ATOM 618 CA GLN A 43 5.268 -13.974 8.143 1.00 0.00 C ATOM 619 C GLN A 43 4.325 -13.981 6.944 1.00 0.00 C ATOM 620 O GLN A 43 3.666 -12.983 6.654 1.00 0.00 O ATOM 621 CB GLN A 43 4.475 -14.198 9.432 1.00 0.00 C ATOM 622 CG GLN A 43 5.346 -14.530 10.633 1.00 0.00 C ATOM 623 CD GLN A 43 6.210 -15.756 10.406 1.00 0.00 C ATOM 624 OE1 GLN A 43 5.749 -16.889 10.550 1.00 0.00 O ATOM 625 NE2 GLN A 43 7.470 -15.536 10.050 1.00 0.00 N ATOM 0 H GLN A 43 5.456 -11.922 8.530 1.00 0.00 H new ATOM 0 HA GLN A 43 5.987 -14.784 8.021 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.894 -13.302 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.763 -15.009 9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.985 -13.677 10.861 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.711 -14.694 11.504 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.810 -14.580 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.098 -16.323 9.884 1.00 0.00 H new ATOM 634 N VAL A 44 4.265 -15.113 6.251 1.00 0.00 N ATOM 635 CA VAL A 44 3.402 -15.250 5.084 1.00 0.00 C ATOM 636 C VAL A 44 1.948 -14.964 5.439 1.00 0.00 C ATOM 637 O VAL A 44 1.521 -15.176 6.574 1.00 0.00 O ATOM 638 CB VAL A 44 3.502 -16.663 4.475 1.00 0.00 C ATOM 639 CG1 VAL A 44 3.057 -17.712 5.482 1.00 0.00 C ATOM 640 CG2 VAL A 44 2.677 -16.752 3.200 1.00 0.00 C ATOM 0 H VAL A 44 4.804 -15.949 6.477 1.00 0.00 H new ATOM 0 HA VAL A 44 3.744 -14.520 4.350 1.00 0.00 H new ATOM 0 HB VAL A 44 4.544 -16.858 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.135 -18.703 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.694 -17.662 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.023 -17.524 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.759 -17.756 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.633 -16.537 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.048 -16.027 2.475 1.00 0.00 H new ATOM 650 N GLY A 45 1.189 -14.482 4.460 1.00 0.00 N ATOM 651 CA GLY A 45 -0.211 -14.174 4.688 1.00 0.00 C ATOM 652 C GLY A 45 -0.448 -12.696 4.928 1.00 0.00 C ATOM 653 O GLY A 45 -1.335 -12.097 4.321 1.00 0.00 O ATOM 0 H GLY A 45 1.519 -14.299 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.796 -14.497 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.569 -14.741 5.548 1.00 0.00 H new ATOM 657 N MET A 46 0.346 -12.107 5.816 1.00 0.00 N ATOM 658 CA MET A 46 0.218 -10.690 6.135 1.00 0.00 C ATOM 659 C MET A 46 1.034 -9.839 5.167 1.00 0.00 C ATOM 660 O MET A 46 1.981 -10.323 4.547 1.00 0.00 O ATOM 661 CB MET A 46 0.670 -10.426 7.572 1.00 0.00 C ATOM 662 CG MET A 46 -0.431 -10.620 8.601 1.00 0.00 C ATOM 663 SD MET A 46 -1.018 -12.323 8.678 1.00 0.00 S ATOM 664 CE MET A 46 -2.601 -12.101 9.486 1.00 0.00 C ATOM 0 H MET A 46 1.085 -12.589 6.328 1.00 0.00 H new ATOM 0 HA MET A 46 -0.832 -10.414 6.036 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.500 -11.091 7.811 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.047 -9.406 7.644 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.062 -10.322 9.583 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.267 -9.962 8.362 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.088 -13.069 9.605 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.449 -11.648 10.466 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.231 -11.450 8.879 1.00 0.00 H new ATOM 674 N TYR A 47 0.663 -8.570 5.044 1.00 0.00 N ATOM 675 CA TYR A 47 1.359 -7.653 4.150 1.00 0.00 C ATOM 676 C TYR A 47 1.304 -6.225 4.685 1.00 0.00 C ATOM 677 O TYR A 47 0.300 -5.800 5.257 1.00 0.00 O ATOM 678 CB TYR A 47 0.747 -7.709 2.750 1.00 0.00 C ATOM 679 CG TYR A 47 1.124 -8.950 1.973 1.00 0.00 C ATOM 680 CD1 TYR A 47 0.495 -10.164 2.218 1.00 0.00 C ATOM 681 CD2 TYR A 47 2.109 -8.907 0.994 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.838 -11.301 1.511 1.00 0.00 C ATOM 683 CE2 TYR A 47 2.456 -10.038 0.281 1.00 0.00 C ATOM 684 CZ TYR A 47 1.818 -11.232 0.544 1.00 0.00 C ATOM 685 OH TYR A 47 2.162 -12.362 -0.163 1.00 0.00 O ATOM 0 H TYR A 47 -0.116 -8.153 5.553 1.00 0.00 H new ATOM 0 HA TYR A 47 2.403 -7.962 4.095 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.339 -7.660 2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.063 -6.829 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.275 -10.220 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.612 -7.974 0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.341 -12.238 1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.223 -9.988 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 47 2.868 -12.143 -0.807 1.00 0.00 H new ATOM 695 N THR A 48 2.394 -5.486 4.494 1.00 0.00 N ATOM 696 CA THR A 48 2.472 -4.107 4.955 1.00 0.00 C ATOM 697 C THR A 48 2.403 -3.130 3.786 1.00 0.00 C ATOM 698 O THR A 48 3.327 -3.050 2.978 1.00 0.00 O ATOM 699 CB THR A 48 3.769 -3.852 5.747 1.00 0.00 C ATOM 700 OG1 THR A 48 3.895 -4.811 6.803 1.00 0.00 O ATOM 701 CG2 THR A 48 3.781 -2.446 6.328 1.00 0.00 C ATOM 0 H THR A 48 3.234 -5.821 4.023 1.00 0.00 H new ATOM 0 HA THR A 48 1.616 -3.945 5.611 1.00 0.00 H new ATOM 0 HB THR A 48 4.612 -3.953 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.722 -4.643 7.301 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.706 -2.289 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.715 -1.718 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.931 -2.322 6.999 1.00 0.00 H new ATOM 709 N VAL A 49 1.303 -2.390 3.703 1.00 0.00 N ATOM 710 CA VAL A 49 1.115 -1.417 2.634 1.00 0.00 C ATOM 711 C VAL A 49 1.594 -0.033 3.060 1.00 0.00 C ATOM 712 O VAL A 49 0.859 0.719 3.700 1.00 0.00 O ATOM 713 CB VAL A 49 -0.363 -1.329 2.209 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.560 -0.216 1.190 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.837 -2.663 1.652 1.00 0.00 C ATOM 0 H VAL A 49 0.528 -2.446 4.364 1.00 0.00 H new ATOM 0 HA VAL A 49 1.709 -1.759 1.786 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.963 -1.095 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.610 -0.169 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.261 0.736 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.050 -0.417 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.883 -2.583 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.234 -2.930 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.734 -3.434 2.416 1.00 0.00 H new ATOM 725 N SER A 50 2.829 0.297 2.698 1.00 0.00 N ATOM 726 CA SER A 50 3.407 1.590 3.046 1.00 0.00 C ATOM 727 C SER A 50 3.202 2.597 1.918 1.00 0.00 C ATOM 728 O SER A 50 3.960 2.625 0.948 1.00 0.00 O ATOM 729 CB SER A 50 4.901 1.440 3.345 1.00 0.00 C ATOM 730 OG SER A 50 5.109 0.789 4.586 1.00 0.00 O ATOM 0 H SER A 50 3.449 -0.312 2.164 1.00 0.00 H new ATOM 0 HA SER A 50 2.900 1.960 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.379 0.871 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.372 2.423 3.363 1.00 0.00 H new ATOM 0 HG SER A 50 5.151 1.456 5.302 1.00 0.00 H new ATOM 736 N LEU A 51 2.171 3.424 2.053 1.00 0.00 N ATOM 737 CA LEU A 51 1.863 4.434 1.046 1.00 0.00 C ATOM 738 C LEU A 51 2.312 5.817 1.509 1.00 0.00 C ATOM 739 O LEU A 51 2.159 6.173 2.677 1.00 0.00 O ATOM 740 CB LEU A 51 0.363 4.445 0.749 1.00 0.00 C ATOM 741 CG LEU A 51 -0.505 5.263 1.706 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.622 6.701 1.223 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.883 4.633 1.846 1.00 0.00 C ATOM 0 H LEU A 51 1.534 3.415 2.850 1.00 0.00 H new ATOM 0 HA LEU A 51 2.405 4.182 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.216 4.828 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.004 3.416 0.755 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.027 5.267 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.243 7.268 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.370 7.150 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.077 6.716 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.487 5.228 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.368 4.598 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.782 3.621 2.237 1.00 0.00 H new ATOM 755 N PHE A 52 2.865 6.593 0.584 1.00 0.00 N ATOM 756 CA PHE A 52 3.335 7.938 0.895 1.00 0.00 C ATOM 757 C PHE A 52 2.268 8.977 0.564 1.00 0.00 C ATOM 758 O PHE A 52 1.667 8.946 -0.509 1.00 0.00 O ATOM 759 CB PHE A 52 4.619 8.245 0.121 1.00 0.00 C ATOM 760 CG PHE A 52 5.033 9.687 0.193 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.743 10.164 1.282 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.710 10.566 -0.829 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.125 11.491 1.352 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.090 11.894 -0.764 1.00 0.00 C ATOM 765 CZ PHE A 52 5.798 12.356 0.327 1.00 0.00 C ATOM 0 H PHE A 52 2.999 6.314 -0.388 1.00 0.00 H new ATOM 0 HA PHE A 52 3.544 7.984 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.426 7.624 0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.479 7.967 -0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.002 9.491 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.156 10.210 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.678 11.850 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.833 12.569 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.096 13.393 0.379 1.00 0.00 H new ATOM 775 N SER A 53 2.039 9.898 1.496 1.00 0.00 N ATOM 776 CA SER A 53 1.041 10.945 1.306 1.00 0.00 C ATOM 777 C SER A 53 1.425 12.206 2.074 1.00 0.00 C ATOM 778 O SER A 53 2.294 12.177 2.946 1.00 0.00 O ATOM 779 CB SER A 53 -0.336 10.455 1.761 1.00 0.00 C ATOM 780 OG SER A 53 -0.938 9.638 0.772 1.00 0.00 O ATOM 0 H SER A 53 2.530 9.940 2.389 1.00 0.00 H new ATOM 0 HA SER A 53 1.000 11.186 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.237 9.894 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.979 11.310 1.972 1.00 0.00 H new ATOM 0 HG SER A 53 -0.258 9.347 0.129 1.00 0.00 H new ATOM 786 N LYS A 54 0.768 13.313 1.746 1.00 0.00 N ATOM 787 CA LYS A 54 1.038 14.587 2.404 1.00 0.00 C ATOM 788 C LYS A 54 -0.261 15.256 2.845 1.00 0.00 C ATOM 789 O LYS A 54 -1.202 15.382 2.061 1.00 0.00 O ATOM 790 CB LYS A 54 1.811 15.515 1.466 1.00 0.00 C ATOM 791 CG LYS A 54 2.458 16.694 2.174 1.00 0.00 C ATOM 792 CD LYS A 54 3.679 17.194 1.422 1.00 0.00 C ATOM 793 CE LYS A 54 3.286 18.066 0.239 1.00 0.00 C ATOM 794 NZ LYS A 54 4.347 18.093 -0.806 1.00 0.00 N ATOM 0 H LYS A 54 0.044 13.354 1.028 1.00 0.00 H new ATOM 0 HA LYS A 54 1.644 14.391 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.583 14.940 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.133 15.890 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.734 17.503 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.746 16.400 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.317 17.763 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.265 16.344 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.358 17.693 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.091 19.081 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.042 18.698 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.226 18.473 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.516 17.128 -1.154 1.00 0.00 H new ATOM 808 N ALA A 55 -0.303 15.685 4.102 1.00 0.00 N ATOM 809 CA ALA A 55 -1.484 16.345 4.645 1.00 0.00 C ATOM 810 C ALA A 55 -1.480 17.835 4.315 1.00 0.00 C ATOM 811 O ALA A 55 -0.472 18.378 3.863 1.00 0.00 O ATOM 812 CB ALA A 55 -1.561 16.136 6.149 1.00 0.00 C ATOM 0 H ALA A 55 0.467 15.587 4.764 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.364 15.899 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.448 16.634 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.619 15.069 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.672 16.554 6.620 1.00 0.00 H new ATOM 818 N VAL A 56 -2.614 18.489 4.544 1.00 0.00 N ATOM 819 CA VAL A 56 -2.742 19.915 4.272 1.00 0.00 C ATOM 820 C VAL A 56 -1.990 20.742 5.309 1.00 0.00 C ATOM 821 O VAL A 56 -1.428 21.790 4.994 1.00 0.00 O ATOM 822 CB VAL A 56 -4.219 20.354 4.255 1.00 0.00 C ATOM 823 CG1 VAL A 56 -4.326 21.859 4.059 1.00 0.00 C ATOM 824 CG2 VAL A 56 -4.981 19.610 3.169 1.00 0.00 C ATOM 0 H VAL A 56 -3.457 18.054 4.917 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.308 20.089 3.287 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.667 20.105 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.376 22.151 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.815 22.369 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.864 22.136 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.023 19.931 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.535 19.827 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.932 18.538 3.359 1.00 0.00 H new ATOM 834 N ASN A 57 -1.983 20.262 6.549 1.00 0.00 N ATOM 835 CA ASN A 57 -1.300 20.957 7.633 1.00 0.00 C ATOM 836 C ASN A 57 0.169 20.549 7.700 1.00 0.00 C ATOM 837 O ASN A 57 1.036 21.361 8.025 1.00 0.00 O ATOM 838 CB ASN A 57 -1.985 20.660 8.969 1.00 0.00 C ATOM 839 CG ASN A 57 -1.413 21.482 10.108 1.00 0.00 C ATOM 840 OD1 ASN A 57 -0.569 22.353 9.896 1.00 0.00 O ATOM 841 ND2 ASN A 57 -1.870 21.207 11.323 1.00 0.00 N ATOM 0 H ASN A 57 -2.443 19.395 6.827 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.353 22.028 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.052 20.862 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.879 19.600 9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.521 21.726 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.570 20.476 11.451 1.00 0.00 H new ATOM 848 N ASP A 58 0.441 19.285 7.391 1.00 0.00 N ATOM 849 CA ASP A 58 1.806 18.770 7.414 1.00 0.00 C ATOM 850 C ASP A 58 2.653 19.426 6.330 1.00 0.00 C ATOM 851 O ASP A 58 3.704 20.003 6.612 1.00 0.00 O ATOM 852 CB ASP A 58 1.802 17.252 7.228 1.00 0.00 C ATOM 853 CG ASP A 58 0.964 16.542 8.272 1.00 0.00 C ATOM 854 OD1 ASP A 58 -0.010 17.150 8.767 1.00 0.00 O ATOM 855 OD2 ASP A 58 1.279 15.377 8.596 1.00 0.00 O ATOM 0 H ASP A 58 -0.265 18.599 7.122 1.00 0.00 H new ATOM 0 HA ASP A 58 2.243 19.009 8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.421 17.012 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.826 16.881 7.274 1.00 0.00 H new ATOM 860 N LYS A 59 2.191 19.334 5.088 1.00 0.00 N ATOM 861 CA LYS A 59 2.905 19.918 3.959 1.00 0.00 C ATOM 862 C LYS A 59 4.382 19.540 3.995 1.00 0.00 C ATOM 863 O LYS A 59 5.239 20.295 3.534 1.00 0.00 O ATOM 864 CB LYS A 59 2.758 21.441 3.969 1.00 0.00 C ATOM 865 CG LYS A 59 1.543 21.940 3.203 1.00 0.00 C ATOM 866 CD LYS A 59 1.865 22.172 1.737 1.00 0.00 C ATOM 867 CE LYS A 59 2.600 23.487 1.529 1.00 0.00 C ATOM 868 NZ LYS A 59 1.705 24.659 1.731 1.00 0.00 N ATOM 0 H LYS A 59 1.324 18.860 4.837 1.00 0.00 H new ATOM 0 HA LYS A 59 2.469 19.522 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.693 21.785 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.656 21.887 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.735 21.214 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.186 22.868 3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.475 21.350 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.942 22.174 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.440 23.547 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.015 23.516 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.141 25.505 1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.788 24.479 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.560 24.814 2.749 1.00 0.00 H new ATOM 882 N LYS A 60 4.675 18.367 4.546 1.00 0.00 N ATOM 883 CA LYS A 60 6.048 17.886 4.641 1.00 0.00 C ATOM 884 C LYS A 60 6.206 16.546 3.932 1.00 0.00 C ATOM 885 O LYS A 60 7.279 16.222 3.425 1.00 0.00 O ATOM 886 CB LYS A 60 6.463 17.752 6.108 1.00 0.00 C ATOM 887 CG LYS A 60 5.826 16.567 6.813 1.00 0.00 C ATOM 888 CD LYS A 60 6.255 16.488 8.269 1.00 0.00 C ATOM 889 CE LYS A 60 7.549 15.704 8.427 1.00 0.00 C ATOM 890 NZ LYS A 60 8.746 16.577 8.290 1.00 0.00 N ATOM 0 H LYS A 60 3.978 17.731 4.934 1.00 0.00 H new ATOM 0 HA LYS A 60 6.696 18.613 4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.547 17.657 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.196 18.666 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.741 16.649 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.103 15.646 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.388 17.495 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.468 16.015 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.563 15.219 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.588 14.913 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.320 16.255 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.443 17.559 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.313 16.528 9.161 1.00 0.00 H new ATOM 904 N GLY A 61 5.127 15.769 3.898 1.00 0.00 N ATOM 905 CA GLY A 61 5.167 14.471 3.247 1.00 0.00 C ATOM 906 C GLY A 61 5.743 13.392 4.141 1.00 0.00 C ATOM 907 O GLY A 61 6.912 13.447 4.521 1.00 0.00 O ATOM 0 H GLY A 61 4.226 16.015 4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.159 14.188 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.764 14.542 2.338 1.00 0.00 H new ATOM 911 N THR A 62 4.919 12.405 4.480 1.00 0.00 N ATOM 912 CA THR A 62 5.351 11.308 5.338 1.00 0.00 C ATOM 913 C THR A 62 4.858 9.968 4.807 1.00 0.00 C ATOM 914 O THR A 62 3.915 9.910 4.017 1.00 0.00 O ATOM 915 CB THR A 62 4.848 11.492 6.781 1.00 0.00 C ATOM 916 OG1 THR A 62 5.478 10.539 7.645 1.00 0.00 O ATOM 917 CG2 THR A 62 3.337 11.329 6.854 1.00 0.00 C ATOM 0 H THR A 62 3.948 12.343 4.173 1.00 0.00 H new ATOM 0 HA THR A 62 6.441 11.317 5.337 1.00 0.00 H new ATOM 0 HB THR A 62 5.104 12.501 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.154 10.664 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.006 11.464 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.859 12.075 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.062 10.331 6.512 1.00 0.00 H new ATOM 925 N VAL A 63 5.500 8.890 5.246 1.00 0.00 N ATOM 926 CA VAL A 63 5.124 7.548 4.816 1.00 0.00 C ATOM 927 C VAL A 63 4.205 6.882 5.834 1.00 0.00 C ATOM 928 O VAL A 63 4.391 7.027 7.042 1.00 0.00 O ATOM 929 CB VAL A 63 6.364 6.660 4.601 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.966 5.326 3.989 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.385 7.373 3.727 1.00 0.00 C ATOM 0 H VAL A 63 6.283 8.920 5.899 1.00 0.00 H new ATOM 0 HA VAL A 63 4.595 7.655 3.869 1.00 0.00 H new ATOM 0 HB VAL A 63 6.822 6.466 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.855 4.712 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.274 4.811 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.483 5.497 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.254 6.731 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.940 7.599 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.693 8.300 4.210 1.00 0.00 H new ATOM 941 N LYS A 64 3.213 6.150 5.337 1.00 0.00 N ATOM 942 CA LYS A 64 2.265 5.459 6.202 1.00 0.00 C ATOM 943 C LYS A 64 2.623 3.981 6.330 1.00 0.00 C ATOM 944 O LYS A 64 3.522 3.489 5.648 1.00 0.00 O ATOM 945 CB LYS A 64 0.844 5.604 5.654 1.00 0.00 C ATOM 946 CG LYS A 64 0.531 6.998 5.139 1.00 0.00 C ATOM 947 CD LYS A 64 -0.038 7.883 6.234 1.00 0.00 C ATOM 948 CE LYS A 64 1.061 8.626 6.977 1.00 0.00 C ATOM 949 NZ LYS A 64 0.656 8.971 8.369 1.00 0.00 N ATOM 0 H LYS A 64 3.045 6.020 4.339 1.00 0.00 H new ATOM 0 HA LYS A 64 2.315 5.914 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.700 4.886 4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.133 5.347 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.438 7.451 4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.182 6.931 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.734 8.600 5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.606 7.274 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.961 8.012 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.313 9.538 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.433 9.476 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.188 9.578 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.440 8.099 8.894 1.00 0.00 H new ATOM 963 N HIS A 65 1.913 3.279 7.209 1.00 0.00 N ATOM 964 CA HIS A 65 2.155 1.858 7.424 1.00 0.00 C ATOM 965 C HIS A 65 0.869 1.142 7.828 1.00 0.00 C ATOM 966 O HIS A 65 0.372 1.320 8.939 1.00 0.00 O ATOM 967 CB HIS A 65 3.223 1.658 8.500 1.00 0.00 C ATOM 968 CG HIS A 65 4.391 2.586 8.365 1.00 0.00 C ATOM 969 ND1 HIS A 65 5.400 2.395 7.445 1.00 0.00 N ATOM 970 CD2 HIS A 65 4.706 3.716 9.038 1.00 0.00 C ATOM 971 CE1 HIS A 65 6.287 3.366 7.559 1.00 0.00 C ATOM 972 NE2 HIS A 65 5.889 4.183 8.518 1.00 0.00 N ATOM 0 H HIS A 65 1.167 3.672 7.783 1.00 0.00 H new ATOM 0 HA HIS A 65 2.509 1.430 6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.769 1.799 9.481 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.580 0.629 8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.134 4.167 9.835 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.185 3.474 6.969 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.380 5.024 8.823 1.00 0.00 H new ATOM 981 N TYR A 66 0.336 0.336 6.916 1.00 0.00 N ATOM 982 CA TYR A 66 -0.894 -0.403 7.177 1.00 0.00 C ATOM 983 C TYR A 66 -0.671 -1.904 7.021 1.00 0.00 C ATOM 984 O TYR A 66 0.001 -2.351 6.091 1.00 0.00 O ATOM 985 CB TYR A 66 -2.002 0.060 6.229 1.00 0.00 C ATOM 986 CG TYR A 66 -2.266 1.547 6.288 1.00 0.00 C ATOM 987 CD1 TYR A 66 -3.169 2.078 7.201 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.612 2.423 5.429 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.414 3.437 7.257 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.849 3.783 5.479 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.751 4.286 6.394 1.00 0.00 C ATOM 992 OH TYR A 66 -2.991 5.639 6.447 1.00 0.00 O ATOM 0 H TYR A 66 0.736 0.178 5.991 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.197 -0.204 8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.733 -0.213 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.921 -0.474 6.470 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.689 1.417 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.906 2.033 4.710 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.120 3.832 7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.331 4.449 4.805 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.443 6.095 5.774 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.242 -2.679 7.938 1.00 0.00 N ATOM 1003 CA HIS A 67 -1.107 -4.131 7.903 1.00 0.00 C ATOM 1004 C HIS A 67 -2.408 -4.787 7.448 1.00 0.00 C ATOM 1005 O HIS A 67 -3.491 -4.426 7.909 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.711 -4.661 9.281 1.00 0.00 C ATOM 1007 CG HIS A 67 0.765 -4.636 9.532 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.544 -3.514 9.335 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.606 -5.603 9.967 1.00 0.00 C ATOM 1010 CE1 HIS A 67 2.799 -3.794 9.635 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.864 -5.054 10.023 1.00 0.00 N ATOM 0 H HIS A 67 -1.802 -2.326 8.714 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.324 -4.381 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.211 -4.068 10.047 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.071 -5.684 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.338 -6.618 10.223 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.631 -3.108 9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.711 -5.541 10.317 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.292 -5.750 6.539 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.459 -6.455 6.021 1.00 0.00 C ATOM 1022 C VAL A 68 -3.951 -7.504 7.012 1.00 0.00 C ATOM 1023 O VAL A 68 -3.278 -8.506 7.258 1.00 0.00 O ATOM 1024 CB VAL A 68 -3.149 -7.140 4.677 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.392 -7.822 4.126 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.597 -6.132 3.680 1.00 0.00 C ATOM 0 H VAL A 68 -1.403 -6.060 6.146 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.239 -5.709 5.869 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.389 -7.903 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.154 -8.300 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.738 -8.574 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.176 -7.080 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.384 -6.633 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.332 -5.344 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.680 -5.695 4.074 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.130 -7.268 7.579 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.713 -8.193 8.543 1.00 0.00 C ATOM 1038 C HIS A 69 -6.482 -9.303 7.834 1.00 0.00 C ATOM 1039 O HIS A 69 -6.972 -9.120 6.719 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.642 -7.446 9.502 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.932 -6.460 10.377 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.836 -6.790 11.147 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -6.164 -5.145 10.602 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.428 -5.721 11.808 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.217 -4.711 11.494 1.00 0.00 N ATOM 0 H HIS A 69 -5.700 -6.444 7.387 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.901 -8.644 9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.404 -6.923 8.924 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.160 -8.170 10.131 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.949 -4.549 10.161 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.591 -5.681 12.489 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.136 -3.761 11.856 1.00 0.00 H new ATOM 1054 N THR A 70 -6.584 -10.457 8.487 1.00 0.00 N ATOM 1055 CA THR A 70 -7.291 -11.597 7.918 1.00 0.00 C ATOM 1056 C THR A 70 -8.512 -11.961 8.755 1.00 0.00 C ATOM 1057 O THR A 70 -8.442 -12.013 9.982 1.00 0.00 O ATOM 1058 CB THR A 70 -6.373 -12.830 7.809 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.149 -12.473 7.157 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.057 -13.947 7.036 1.00 0.00 C ATOM 0 H THR A 70 -6.186 -10.626 9.411 1.00 0.00 H new ATOM 0 HA THR A 70 -7.613 -11.302 6.919 1.00 0.00 H new ATOM 0 HB THR A 70 -6.158 -13.185 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.570 -13.261 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.390 -14.807 6.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.974 -14.237 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.298 -13.599 6.031 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.631 -12.212 8.083 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.869 -12.571 8.766 1.00 0.00 C ATOM 1070 C ASN A 71 -11.085 -14.081 8.744 1.00 0.00 C ATOM 1071 O ASN A 71 -10.441 -14.798 7.978 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.059 -11.864 8.114 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.385 -12.294 8.711 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.505 -12.466 9.924 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.388 -12.471 7.859 1.00 0.00 N ATOM 0 H ASN A 71 -9.706 -12.173 7.066 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.788 -12.249 9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.945 -10.786 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.061 -12.073 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.304 -12.761 8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.243 -12.317 6.861 1.00 0.00 H new ATOM 1082 N ALA A 72 -11.994 -14.555 9.589 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.297 -15.979 9.664 1.00 0.00 C ATOM 1084 C ALA A 72 -12.366 -16.600 8.273 1.00 0.00 C ATOM 1085 O ALA A 72 -11.848 -17.693 8.045 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.604 -16.202 10.409 1.00 0.00 C ATOM 0 H ALA A 72 -12.533 -13.974 10.231 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.491 -16.468 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.818 -17.270 10.457 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.519 -15.803 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.413 -15.693 9.885 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.011 -15.897 7.347 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.148 -16.381 5.979 1.00 0.00 C ATOM 1094 C GLU A 73 -11.921 -16.019 5.147 1.00 0.00 C ATOM 1095 O GLU A 73 -12.018 -15.800 3.940 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.407 -15.798 5.332 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.700 -16.348 5.911 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.827 -16.377 4.897 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.331 -15.291 4.540 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.206 -17.484 4.462 1.00 0.00 O ATOM 0 H GLU A 73 -13.446 -14.991 7.520 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.234 -17.467 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.398 -14.715 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.383 -16.002 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.526 -17.357 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.999 -15.739 6.764 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.767 -15.956 5.803 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.520 -15.619 5.126 1.00 0.00 C ATOM 1109 C ASN A 74 -9.722 -14.450 4.166 1.00 0.00 C ATOM 1110 O ASN A 74 -9.330 -14.514 3.000 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.986 -16.833 4.363 1.00 0.00 C ATOM 1112 CG ASN A 74 -10.085 -17.601 3.656 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -10.423 -17.310 2.509 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -10.649 -18.591 4.340 1.00 0.00 N ATOM 0 H ASN A 74 -10.669 -16.134 6.803 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.792 -15.324 5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.249 -16.503 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.471 -17.497 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.394 -19.144 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.337 -18.798 5.289 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.335 -13.381 4.664 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.587 -12.196 3.853 1.00 0.00 C ATOM 1123 C LYS A 75 -9.544 -11.117 4.127 1.00 0.00 C ATOM 1124 O LYS A 75 -9.373 -10.679 5.266 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.988 -11.649 4.135 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.101 -12.629 3.806 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.376 -11.910 3.400 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.593 -12.813 3.533 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.117 -12.835 4.927 1.00 0.00 N ATOM 0 H LYS A 75 -10.667 -13.311 5.626 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.520 -12.483 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.057 -11.374 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.136 -10.737 3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.780 -13.287 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.299 -13.261 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.509 -11.025 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.288 -11.566 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.376 -12.470 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.329 -13.826 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.783 -13.626 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.327 -12.954 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.607 -11.940 5.128 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.851 -10.690 3.078 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.826 -9.661 3.205 1.00 0.00 C ATOM 1145 C LEU A 76 -8.433 -8.268 3.074 1.00 0.00 C ATOM 1146 O LEU A 76 -9.245 -8.015 2.183 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.741 -9.859 2.144 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.121 -11.254 2.071 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.451 -11.470 0.723 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.123 -11.454 3.203 1.00 0.00 C ATOM 0 H LEU A 76 -8.980 -11.041 2.129 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.378 -9.750 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.166 -9.621 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.944 -9.138 2.329 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.917 -11.991 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.015 -12.468 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.191 -11.370 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.666 -10.727 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.691 -12.453 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.330 -10.710 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.632 -11.343 4.161 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.034 -7.367 3.965 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.540 -6.001 3.948 1.00 0.00 C ATOM 1164 C TYR A 77 -7.670 -5.087 4.807 1.00 0.00 C ATOM 1165 O TYR A 77 -6.988 -5.544 5.726 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.986 -5.962 4.448 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.214 -6.777 5.701 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.556 -8.121 5.626 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.090 -6.202 6.960 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.766 -8.870 6.768 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.298 -6.942 8.107 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.636 -8.276 8.006 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.846 -9.017 9.147 1.00 0.00 O ATOM 0 H TYR A 77 -7.362 -7.559 4.708 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.509 -5.643 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.267 -4.927 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.644 -6.329 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.660 -8.589 4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.826 -5.158 7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.030 -9.914 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.197 -6.479 9.078 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.714 -8.449 9.935 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.698 -3.795 4.501 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.912 -2.815 5.244 1.00 0.00 C ATOM 1185 C LEU A 78 -7.701 -2.273 6.432 1.00 0.00 C ATOM 1186 O LEU A 78 -7.154 -2.086 7.518 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.496 -1.665 4.326 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.437 -1.996 3.273 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -5.304 -0.857 2.273 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.098 -2.284 3.936 1.00 0.00 C ATOM 0 H LEU A 78 -8.256 -3.401 3.744 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.018 -3.312 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.385 -1.295 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.122 -0.850 4.945 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.754 -2.890 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.546 -1.110 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.260 -0.697 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.010 0.053 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.356 -2.518 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.775 -1.409 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.202 -3.133 4.612 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.989 -2.025 6.217 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.853 -1.508 7.271 1.00 0.00 C ATOM 1204 C ALA A 79 -10.950 -2.509 7.620 1.00 0.00 C ATOM 1205 O ALA A 79 -11.737 -2.905 6.761 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.462 -0.180 6.850 1.00 0.00 C ATOM 0 H ALA A 79 -9.457 -2.174 5.323 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.245 -1.349 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.105 0.194 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.667 0.540 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.052 -0.321 5.944 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.996 -2.912 8.886 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.996 -3.868 9.346 1.00 0.00 C ATOM 1214 C GLU A 80 -13.401 -3.417 8.953 1.00 0.00 C ATOM 1215 O GLU A 80 -14.196 -4.204 8.441 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.910 -4.039 10.865 1.00 0.00 C ATOM 1217 CG GLU A 80 -12.942 -5.000 11.429 1.00 0.00 C ATOM 1218 CD GLU A 80 -12.443 -6.431 11.476 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -11.240 -6.630 11.746 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -13.254 -7.351 11.242 1.00 0.00 O ATOM 0 H GLU A 80 -10.353 -2.592 9.610 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.793 -4.826 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.913 -4.395 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.035 -3.066 11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.217 -4.682 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.846 -4.954 10.821 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.698 -2.145 9.198 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.005 -1.589 8.871 1.00 0.00 C ATOM 1229 C ASN A 81 -15.451 -2.029 7.480 1.00 0.00 C ATOM 1230 O ASN A 81 -16.646 -2.077 7.186 1.00 0.00 O ATOM 1231 CB ASN A 81 -14.967 -0.061 8.947 1.00 0.00 C ATOM 1232 CG ASN A 81 -14.609 0.440 10.333 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.086 -0.087 11.338 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -13.765 1.463 10.393 1.00 0.00 N ATOM 0 H ASN A 81 -13.051 -1.480 9.622 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.724 -1.964 9.599 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -14.241 0.318 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.939 0.339 8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.488 1.843 11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -13.394 1.869 9.534 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.483 -2.349 6.629 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.776 -2.784 5.268 1.00 0.00 C ATOM 1243 C TYR A 82 -14.067 -4.097 4.951 1.00 0.00 C ATOM 1244 O TYR A 82 -13.295 -4.610 5.762 1.00 0.00 O ATOM 1245 CB TYR A 82 -14.352 -1.709 4.265 1.00 0.00 C ATOM 1246 CG TYR A 82 -15.287 -0.521 4.221 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -16.581 -0.648 3.731 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.875 0.728 4.669 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -17.438 0.435 3.688 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.726 1.817 4.632 1.00 0.00 C ATOM 1251 CZ TYR A 82 -17.005 1.665 4.139 1.00 0.00 C ATOM 1252 OH TYR A 82 -17.856 2.747 4.099 1.00 0.00 O ATOM 0 H TYR A 82 -13.489 -2.316 6.857 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.851 -2.944 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.350 -1.363 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.295 -2.153 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.923 -1.610 3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.873 0.850 5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -18.441 0.319 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.391 2.781 4.987 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.398 3.537 4.454 1.00 0.00 H new ATOM 1262 N CYS A 83 -14.334 -4.635 3.767 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.723 -5.889 3.341 1.00 0.00 C ATOM 1264 C CYS A 83 -13.425 -5.869 1.846 1.00 0.00 C ATOM 1265 O CYS A 83 -14.019 -5.096 1.094 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.641 -7.067 3.673 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.244 -7.014 2.837 1.00 0.00 S ATOM 0 H CYS A 83 -14.970 -4.223 3.084 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.783 -6.007 3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.135 -7.995 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.806 -7.093 4.750 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.947 -8.053 3.180 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.498 -6.721 1.420 1.00 0.00 N ATOM 1274 CA PHE A 84 -12.118 -6.799 0.015 1.00 0.00 C ATOM 1275 C PHE A 84 -12.056 -8.251 -0.452 1.00 0.00 C ATOM 1276 O PHE A 84 -12.389 -9.170 0.297 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.764 -6.122 -0.207 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.810 -4.628 -0.060 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.866 -4.044 1.195 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.795 -3.807 -1.176 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.909 -2.670 1.334 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.838 -2.432 -1.044 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.894 -1.863 0.213 1.00 0.00 C ATOM 0 H PHE A 84 -11.996 -7.367 2.029 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.877 -6.280 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.043 -6.527 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.402 -6.370 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.876 -4.670 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.749 -4.247 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.954 -2.227 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.828 -1.804 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.926 -0.789 0.319 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.628 -8.448 -1.694 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.522 -9.787 -2.262 1.00 0.00 C ATOM 1295 C ASP A 85 -10.130 -10.365 -2.033 1.00 0.00 C ATOM 1296 O ASP A 85 -9.984 -11.521 -1.636 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.834 -9.755 -3.759 1.00 0.00 C ATOM 1298 CG ASP A 85 -13.316 -9.912 -4.045 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -13.776 -11.065 -4.176 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -14.014 -8.880 -4.139 1.00 0.00 O ATOM 0 H ASP A 85 -11.349 -7.698 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.249 -10.426 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.483 -8.813 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.284 -10.552 -4.259 1.00 0.00 H new ATOM 1305 N SER A 86 -9.108 -9.554 -2.286 1.00 0.00 N ATOM 1306 CA SER A 86 -7.727 -9.987 -2.113 1.00 0.00 C ATOM 1307 C SER A 86 -6.789 -8.787 -2.021 1.00 0.00 C ATOM 1308 O SER A 86 -7.207 -7.643 -2.205 1.00 0.00 O ATOM 1309 CB SER A 86 -7.303 -10.891 -3.272 1.00 0.00 C ATOM 1310 OG SER A 86 -6.244 -11.750 -2.888 1.00 0.00 O ATOM 0 H SER A 86 -9.211 -8.593 -2.612 1.00 0.00 H new ATOM 0 HA SER A 86 -7.664 -10.549 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.155 -11.485 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.991 -10.280 -4.119 1.00 0.00 H new ATOM 0 HG SER A 86 -5.993 -12.318 -3.646 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.519 -9.056 -1.734 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.522 -8.000 -1.618 1.00 0.00 C ATOM 1318 C ILE A 87 -4.486 -7.136 -2.875 1.00 0.00 C ATOM 1319 O ILE A 87 -4.681 -5.923 -2.830 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.117 -8.578 -1.364 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.860 -8.710 0.137 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.058 -7.698 -2.012 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.892 -9.819 0.489 1.00 0.00 C ATOM 0 H ILE A 87 -5.157 -9.997 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.812 -7.385 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.062 -9.570 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.470 -7.765 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.807 -8.891 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.070 -8.119 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.233 -7.649 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.111 -6.694 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.757 -9.855 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.289 -10.773 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.932 -9.630 0.009 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.233 -7.778 -4.026 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.168 -7.090 -5.318 1.00 0.00 C ATOM 1337 C PRO A 88 -5.534 -6.595 -5.781 1.00 0.00 C ATOM 1338 O PRO A 88 -5.647 -5.529 -6.386 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.639 -8.168 -6.268 1.00 0.00 C ATOM 1340 CG PRO A 88 -4.040 -9.457 -5.638 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.991 -9.225 -4.153 1.00 0.00 C ATOM 0 HA PRO A 88 -3.543 -6.198 -5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.069 -8.064 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.557 -8.101 -6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.041 -9.751 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.364 -10.261 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.750 -9.807 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.026 -9.509 -3.733 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.570 -7.375 -5.491 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.929 -7.016 -5.875 1.00 0.00 C ATOM 1351 C LYS A 89 -8.360 -5.716 -5.204 1.00 0.00 C ATOM 1352 O LYS A 89 -9.233 -5.007 -5.703 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.900 -8.140 -5.504 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.666 -9.426 -6.279 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.053 -9.273 -7.741 1.00 0.00 C ATOM 1356 CE LYS A 89 -8.600 -10.470 -8.565 1.00 0.00 C ATOM 1357 NZ LYS A 89 -8.986 -10.336 -9.996 1.00 0.00 N ATOM 0 H LYS A 89 -6.494 -8.261 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.947 -6.870 -6.955 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.812 -8.347 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.921 -7.800 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.616 -9.710 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.245 -10.233 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.134 -9.162 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.608 -8.363 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.518 -10.574 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.038 -11.380 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.660 -11.171 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.021 -10.262 -10.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.548 -9.481 -10.395 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.741 -5.409 -4.068 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.059 -4.193 -3.328 1.00 0.00 C ATOM 1373 C LEU A 90 -7.420 -2.973 -3.984 1.00 0.00 C ATOM 1374 O LEU A 90 -8.027 -1.904 -4.054 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.583 -4.315 -1.880 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.568 -3.021 -1.066 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.732 -3.319 0.416 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.282 -2.247 -1.318 1.00 0.00 C ATOM 0 H LEU A 90 -7.017 -5.986 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.141 -4.063 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.222 -5.035 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.575 -4.730 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.408 -2.404 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.719 -2.385 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.681 -3.829 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.914 -3.956 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.289 -1.329 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.427 -2.857 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.208 -1.999 -2.377 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.194 -3.142 -4.466 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.474 -2.056 -5.119 1.00 0.00 C ATOM 1392 C ILE A 91 -6.248 -1.529 -6.323 1.00 0.00 C ATOM 1393 O ILE A 91 -6.366 -0.319 -6.518 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.075 -2.505 -5.580 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.242 -2.965 -4.381 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.372 -1.375 -6.317 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.335 -2.039 -3.189 1.00 0.00 C ATOM 0 H ILE A 91 -5.678 -4.021 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.367 -1.260 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.187 -3.345 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.569 -3.961 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.199 -3.049 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.384 -1.708 -6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.959 -1.090 -7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.268 -0.517 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.720 -2.428 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.981 -1.047 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.372 -1.974 -2.859 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.778 -2.447 -7.126 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.544 -2.074 -8.311 1.00 0.00 C ATOM 1411 C HIS A 92 -8.600 -1.027 -7.967 1.00 0.00 C ATOM 1412 O HIS A 92 -8.730 -0.014 -8.655 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.211 -3.307 -8.921 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.175 -2.985 -10.020 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -10.392 -2.375 -9.799 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -9.095 -3.189 -11.356 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -11.020 -2.221 -10.951 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.254 -2.705 -11.912 1.00 0.00 N ATOM 0 H HIS A 92 -6.691 -3.453 -6.978 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.856 -1.645 -9.039 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.440 -3.972 -9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.736 -3.851 -8.136 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -10.751 -2.088 -8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.273 -3.647 -11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.995 -1.775 -11.084 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.352 -1.280 -6.902 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.398 -0.361 -6.470 1.00 0.00 C ATOM 1429 C TYR A 93 -9.797 0.896 -5.849 1.00 0.00 C ATOM 1430 O TYR A 93 -10.052 2.011 -6.305 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.324 -1.047 -5.464 1.00 0.00 C ATOM 1432 CG TYR A 93 -11.810 -2.404 -5.916 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -12.564 -2.545 -7.075 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -11.514 -3.549 -5.186 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.011 -3.784 -7.491 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -11.954 -4.793 -5.595 1.00 0.00 C ATOM 1437 CZ TYR A 93 -12.703 -4.905 -6.749 1.00 0.00 C ATOM 1438 OH TYR A 93 -13.145 -6.141 -7.161 1.00 0.00 O ATOM 0 H TYR A 93 -9.257 -2.114 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.976 -0.070 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.799 -1.156 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.185 -0.405 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.805 -1.670 -7.661 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -10.929 -3.465 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.599 -3.874 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.714 -5.672 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.841 -6.825 -6.528 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.996 0.708 -4.805 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.356 1.827 -4.121 1.00 0.00 C ATOM 1450 C HIS A 94 -7.865 2.867 -5.123 1.00 0.00 C ATOM 1451 O HIS A 94 -8.111 4.063 -4.961 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.187 1.330 -3.270 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.588 0.900 -1.893 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -6.965 1.358 -0.750 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.557 0.051 -1.477 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -7.533 0.807 0.308 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.501 0.010 -0.106 1.00 0.00 N ATOM 0 H HIS A 94 -8.775 -0.208 -4.414 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.096 2.295 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.709 0.493 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.443 2.122 -3.192 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.246 -0.493 -2.107 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.253 0.979 1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.109 -0.546 0.496 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.170 2.404 -6.157 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.644 3.297 -7.184 1.00 0.00 C ATOM 1468 C GLN A 95 -7.620 4.433 -7.470 1.00 0.00 C ATOM 1469 O GLN A 95 -7.286 5.607 -7.310 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.359 2.517 -8.468 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.995 1.845 -8.483 1.00 0.00 C ATOM 1472 CD GLN A 95 -3.908 2.742 -9.038 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -3.998 3.968 -8.961 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -2.870 2.135 -9.603 1.00 0.00 N ATOM 0 H GLN A 95 -6.958 1.417 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.714 3.728 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.130 1.758 -8.601 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.430 3.195 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.731 1.546 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.049 0.935 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.836 1.116 -9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.107 2.688 -9.994 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.828 4.076 -7.895 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.854 5.066 -8.204 1.00 0.00 C ATOM 1485 C HIS A 96 -10.492 5.603 -6.926 1.00 0.00 C ATOM 1486 O HIS A 96 -10.364 6.785 -6.607 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.927 4.455 -9.105 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.455 4.191 -10.502 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.178 5.195 -11.406 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.211 3.027 -11.150 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.785 4.661 -12.548 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.796 3.346 -12.419 1.00 0.00 N ATOM 0 H HIS A 96 -9.120 3.109 -8.033 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.379 5.895 -8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.271 3.520 -8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.785 5.126 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.322 2.033 -10.744 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.503 5.206 -13.436 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.538 2.677 -13.144 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.179 4.728 -6.200 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.839 5.115 -4.958 1.00 0.00 C ATOM 1503 C ASN A 97 -11.395 4.220 -3.805 1.00 0.00 C ATOM 1504 O ASN A 97 -11.572 3.003 -3.847 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.359 5.043 -5.119 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.914 3.680 -4.755 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.448 3.487 -3.661 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.792 2.727 -5.670 1.00 0.00 N ATOM 0 H ASN A 97 -11.294 3.746 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.554 6.142 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.825 5.802 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.624 5.277 -6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.148 1.790 -5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.343 2.931 -6.563 1.00 0.00 H new ATOM 1515 N SER A 98 -10.818 4.833 -2.777 1.00 0.00 N ATOM 1516 CA SER A 98 -10.346 4.092 -1.612 1.00 0.00 C ATOM 1517 C SER A 98 -11.428 4.018 -0.539 1.00 0.00 C ATOM 1518 O SER A 98 -12.539 4.516 -0.727 1.00 0.00 O ATOM 1519 CB SER A 98 -9.088 4.748 -1.039 1.00 0.00 C ATOM 1520 OG SER A 98 -7.925 4.284 -1.701 1.00 0.00 O ATOM 0 H SER A 98 -10.666 5.840 -2.726 1.00 0.00 H new ATOM 0 HA SER A 98 -10.106 3.078 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.160 5.831 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.014 4.532 0.027 1.00 0.00 H new ATOM 0 HG SER A 98 -7.607 3.464 -1.268 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.097 3.394 0.586 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.038 3.256 1.690 1.00 0.00 C ATOM 1528 C ALA A 99 -11.495 3.907 2.959 1.00 0.00 C ATOM 1529 O ALA A 99 -10.332 4.301 3.017 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.349 1.788 1.938 1.00 0.00 C ATOM 0 H ALA A 99 -10.183 2.975 0.757 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.960 3.769 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.053 1.700 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.788 1.352 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.429 1.258 2.186 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.348 4.016 3.973 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.937 4.620 5.227 1.00 0.00 C ATOM 1538 C GLY A 100 -11.025 5.814 5.022 1.00 0.00 C ATOM 1539 O GLY A 100 -11.091 6.485 3.993 1.00 0.00 O ATOM 0 H GLY A 100 -13.316 3.697 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.821 4.933 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.424 3.875 5.835 1.00 0.00 H new ATOM 1543 N MET A 101 -10.174 6.081 6.007 1.00 0.00 N ATOM 1544 CA MET A 101 -9.245 7.204 5.931 1.00 0.00 C ATOM 1545 C MET A 101 -7.936 6.782 5.272 1.00 0.00 C ATOM 1546 O MET A 101 -6.853 7.056 5.792 1.00 0.00 O ATOM 1547 CB MET A 101 -8.971 7.762 7.328 1.00 0.00 C ATOM 1548 CG MET A 101 -10.166 8.467 7.948 1.00 0.00 C ATOM 1549 SD MET A 101 -9.691 9.665 9.207 1.00 0.00 S ATOM 1550 CE MET A 101 -11.096 9.567 10.315 1.00 0.00 C ATOM 0 H MET A 101 -10.108 5.536 6.867 1.00 0.00 H new ATOM 0 HA MET A 101 -9.703 7.983 5.321 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.662 6.946 7.982 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.136 8.460 7.274 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.730 8.974 7.165 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.831 7.725 8.391 1.00 0.00 H new ATOM 0 HE1 MET A 101 -10.950 10.254 11.149 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.004 9.838 9.776 1.00 0.00 H new ATOM 0 HE3 MET A 101 -11.190 8.550 10.695 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.041 6.116 4.128 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.865 5.658 3.399 1.00 0.00 C ATOM 1562 C ILE A 102 -6.684 6.439 2.102 1.00 0.00 C ATOM 1563 O ILE A 102 -7.419 6.237 1.135 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.954 4.155 3.073 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.242 3.352 4.343 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.667 3.679 2.416 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -5.996 2.976 5.114 1.00 0.00 C ATOM 0 H ILE A 102 -8.929 5.881 3.685 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.005 5.830 4.047 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.775 3.997 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.899 3.934 4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.782 2.444 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.745 2.615 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.503 4.234 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.829 3.847 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.275 2.409 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.348 2.368 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.466 3.881 5.413 1.00 0.00 H new ATOM 1579 N THR A 103 -5.698 7.330 2.087 1.00 0.00 N ATOM 1580 CA THR A 103 -5.418 8.142 0.908 1.00 0.00 C ATOM 1581 C THR A 103 -5.342 7.280 -0.346 1.00 0.00 C ATOM 1582 O THR A 103 -4.664 6.252 -0.364 1.00 0.00 O ATOM 1583 CB THR A 103 -4.099 8.922 1.063 1.00 0.00 C ATOM 1584 OG1 THR A 103 -4.073 9.593 2.327 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.936 9.936 -0.059 1.00 0.00 C ATOM 0 H THR A 103 -5.079 7.508 2.878 1.00 0.00 H new ATOM 0 HA THR A 103 -6.240 8.851 0.809 1.00 0.00 H new ATOM 0 HB THR A 103 -3.274 8.212 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.231 10.085 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.998 10.475 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.927 9.419 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.766 10.642 -0.035 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.039 7.705 -1.394 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.050 6.971 -2.654 1.00 0.00 C ATOM 1595 C ARG A 104 -4.630 6.756 -3.171 1.00 0.00 C ATOM 1596 O ARG A 104 -3.715 7.508 -2.832 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.876 7.723 -3.700 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.449 9.170 -3.889 1.00 0.00 C ATOM 1599 CD ARG A 104 -5.370 9.299 -4.951 1.00 0.00 C ATOM 1600 NE ARG A 104 -5.933 9.364 -6.298 1.00 0.00 N ATOM 1601 CZ ARG A 104 -5.282 9.864 -7.342 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -4.052 10.339 -7.197 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -5.861 9.889 -8.536 1.00 0.00 N ATOM 0 H ARG A 104 -6.604 8.554 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.504 5.997 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.798 7.203 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.926 7.698 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.313 9.771 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.080 9.568 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.780 10.195 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.691 8.449 -4.883 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.877 9.006 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.603 10.321 -6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.555 10.722 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.806 9.524 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.361 10.273 -9.338 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.454 5.727 -3.991 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.146 5.412 -4.554 1.00 0.00 C ATOM 1619 C LEU A 105 -2.923 6.159 -5.865 1.00 0.00 C ATOM 1620 O LEU A 105 -3.472 5.789 -6.903 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.017 3.905 -4.784 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.540 3.007 -3.662 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.239 1.548 -3.962 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.933 3.414 -2.327 1.00 0.00 C ATOM 0 H LEU A 105 -5.201 5.096 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.385 5.731 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.547 3.651 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.965 3.672 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.621 3.129 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.619 0.924 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.721 1.262 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.162 1.410 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.316 2.765 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.848 3.322 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.199 4.448 -2.106 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.113 7.211 -5.810 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.817 8.010 -6.993 1.00 0.00 C ATOM 1638 C ARG A 106 -1.040 7.192 -8.020 1.00 0.00 C ATOM 1639 O ARG A 106 -1.447 7.081 -9.177 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.018 9.256 -6.606 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.524 10.058 -7.800 1.00 0.00 C ATOM 1642 CD ARG A 106 0.212 11.314 -7.361 1.00 0.00 C ATOM 1643 NE ARG A 106 0.467 12.218 -8.479 1.00 0.00 N ATOM 1644 CZ ARG A 106 -0.427 13.088 -8.938 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -1.625 13.171 -8.378 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -0.121 13.878 -9.960 1.00 0.00 N ATOM 0 H ARG A 106 -1.650 7.530 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.762 8.318 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.640 9.897 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.162 8.955 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.138 9.440 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.370 10.332 -8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.375 11.832 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.158 11.036 -6.897 1.00 0.00 H new ATOM 0 HE ARG A 106 1.380 12.180 -8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.864 12.566 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.309 13.840 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.800 13.817 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.807 14.545 -10.312 1.00 0.00 H new ATOM 1660 N HIS A 107 0.081 6.622 -7.590 1.00 0.00 N ATOM 1661 CA HIS A 107 0.915 5.815 -8.473 1.00 0.00 C ATOM 1662 C HIS A 107 1.685 4.763 -7.680 1.00 0.00 C ATOM 1663 O HIS A 107 2.078 4.979 -6.533 1.00 0.00 O ATOM 1664 CB HIS A 107 1.892 6.705 -9.242 1.00 0.00 C ATOM 1665 CG HIS A 107 1.290 7.342 -10.457 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.877 6.622 -11.558 1.00 0.00 N ATOM 1667 CD2 HIS A 107 1.032 8.641 -10.739 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.392 7.450 -12.466 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.475 8.681 -11.993 1.00 0.00 N ATOM 0 H HIS A 107 0.433 6.704 -6.636 1.00 0.00 H new ATOM 0 HA HIS A 107 0.263 5.306 -9.183 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.261 7.486 -8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.754 6.110 -9.543 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.228 9.487 -10.097 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.005 7.169 -13.430 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.174 9.525 -12.481 1.00 0.00 H new ATOM 1678 N PRO A 108 1.907 3.596 -8.302 1.00 0.00 N ATOM 1679 CA PRO A 108 2.630 2.487 -7.674 1.00 0.00 C ATOM 1680 C PRO A 108 4.115 2.788 -7.501 1.00 0.00 C ATOM 1681 O PRO A 108 4.686 3.590 -8.240 1.00 0.00 O ATOM 1682 CB PRO A 108 2.430 1.330 -8.656 1.00 0.00 C ATOM 1683 CG PRO A 108 2.193 1.987 -9.972 1.00 0.00 C ATOM 1684 CD PRO A 108 1.467 3.268 -9.670 1.00 0.00 C ATOM 0 HA PRO A 108 2.263 2.279 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.306 0.683 -8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.584 0.707 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.134 2.184 -10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.601 1.348 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.730 4.055 -10.376 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.386 3.140 -9.724 1.00 0.00 H new ATOM 1692 N VAL A 109 4.735 2.139 -6.520 1.00 0.00 N ATOM 1693 CA VAL A 109 6.154 2.336 -6.251 1.00 0.00 C ATOM 1694 C VAL A 109 6.847 1.012 -5.952 1.00 0.00 C ATOM 1695 O VAL A 109 6.391 0.238 -5.109 1.00 0.00 O ATOM 1696 CB VAL A 109 6.373 3.296 -5.067 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.853 3.402 -4.732 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.789 4.666 -5.377 1.00 0.00 C ATOM 0 H VAL A 109 4.276 1.472 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 109 6.588 2.774 -7.150 1.00 0.00 H new ATOM 0 HB VAL A 109 5.856 2.894 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.988 4.085 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.237 2.418 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.396 3.780 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.953 5.332 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.276 5.078 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.719 4.572 -5.563 1.00 0.00 H new ATOM 1708 N SER A 110 7.949 0.755 -6.649 1.00 0.00 N ATOM 1709 CA SER A 110 8.703 -0.478 -6.459 1.00 0.00 C ATOM 1710 C SER A 110 10.199 -0.236 -6.647 1.00 0.00 C ATOM 1711 O SER A 110 10.604 0.725 -7.299 1.00 0.00 O ATOM 1712 CB SER A 110 8.223 -1.550 -7.440 1.00 0.00 C ATOM 1713 OG SER A 110 8.295 -1.087 -8.777 1.00 0.00 O ATOM 0 H SER A 110 8.339 1.384 -7.350 1.00 0.00 H new ATOM 0 HA SER A 110 8.533 -0.824 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.832 -2.447 -7.329 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.196 -1.830 -7.204 1.00 0.00 H new ATOM 0 HG SER A 110 7.985 -1.791 -9.384 1.00 0.00 H new TER 1719 SER A 110