USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 928 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 58 SER OG : rot 142:sc= -7.86! USER MOD Set 1.2: A 91 HIS : no HE2:sc= -4.41! C(o=-12!,f=-13!) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -2.92! K(o=-3.5!,f=-1.7) USER MOD Set 2.2: A 99 MET CE :methyl 144:sc= -0.568 (180deg=-2.57!) USER MOD Set 3.1: A 29 CYS SG : rot 180:sc= 0.00563 USER MOD Set 3.2: A 33 THR OG1 : rot 168:sc= 1.37 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0985 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00619 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.869 K(o=-0.87,f=-2.7) USER MOD Single : A 30 HIS : no HD1:sc= -1.36! K(o=-1.4!,f=-0.49) USER MOD Single : A 32 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-2.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot 180:sc= -4.6! USER MOD Single : A 42 SER OG : rot -70:sc= 0.732 USER MOD Single : A 51 GLN : amide:sc= -0.0506 K(o=-0.051,f=-0.88) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= -0.0714 (180deg=-0.268) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= -0.161 (180deg=-2.53!) USER MOD Single : A 65 MET CE :methyl -178:sc= -5.54! (180deg=-5.88!) USER MOD Single : A 70 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.51) USER MOD Single : A 74 HIS : no HD1:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.96! C(o=-3!,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.2) USER MOD Single : A 86 SER OG : rot -65:sc= 1.3 USER MOD Single : A 88 MET CE :methyl 178:sc= -1.29 (180deg=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 144:sc= -1.67 USER MOD Single : A 97 GLN : amide:sc= -4.55! C(o=-4.6!,f=-3.2!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= 0.0333 (180deg=0.0151) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.545 21.482 -17.572 1.00 0.00 N ATOM 2 CA GLY A 1 -7.713 21.556 -16.710 1.00 0.00 C ATOM 3 C GLY A 1 -8.617 22.724 -17.110 1.00 0.00 C ATOM 4 O GLY A 1 -8.287 23.487 -18.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.513 20.551 -18.034 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.601 22.226 -18.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.685 21.617 -17.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.272 20.622 -16.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.397 21.674 -15.673 1.00 0.00 H new ATOM 8 N SER A 2 -9.740 22.826 -16.414 1.00 0.00 N ATOM 9 CA SER A 2 -10.693 23.888 -16.685 1.00 0.00 C ATOM 10 C SER A 2 -11.408 24.292 -15.394 1.00 0.00 C ATOM 11 O SER A 2 -11.074 25.308 -14.787 1.00 0.00 O ATOM 12 CB SER A 2 -11.712 23.457 -17.743 1.00 0.00 C ATOM 13 OG SER A 2 -11.966 22.056 -17.699 1.00 0.00 O ATOM 0 H SER A 2 -10.011 22.191 -15.663 1.00 0.00 H new ATOM 0 HA SER A 2 -10.146 24.747 -17.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.645 24.000 -17.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.344 23.728 -18.733 1.00 0.00 H new ATOM 0 HG SER A 2 -12.622 21.821 -18.388 1.00 0.00 H new ATOM 19 N SER A 3 -12.379 23.474 -15.012 1.00 0.00 N ATOM 20 CA SER A 3 -13.144 23.734 -13.804 1.00 0.00 C ATOM 21 C SER A 3 -13.441 22.418 -13.081 1.00 0.00 C ATOM 22 O SER A 3 -14.277 21.635 -13.528 1.00 0.00 O ATOM 23 CB SER A 3 -14.446 24.470 -14.124 1.00 0.00 C ATOM 24 OG SER A 3 -14.925 25.217 -13.009 1.00 0.00 O ATOM 0 H SER A 3 -12.653 22.632 -15.518 1.00 0.00 H new ATOM 0 HA SER A 3 -12.549 24.374 -13.152 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.285 25.141 -14.968 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.204 23.749 -14.430 1.00 0.00 H new ATOM 0 HG SER A 3 -15.757 25.674 -13.254 1.00 0.00 H new ATOM 30 N GLY A 4 -12.740 22.217 -11.975 1.00 0.00 N ATOM 31 CA GLY A 4 -12.919 21.010 -11.185 1.00 0.00 C ATOM 32 C GLY A 4 -12.163 21.106 -9.858 1.00 0.00 C ATOM 33 O GLY A 4 -11.001 20.712 -9.771 1.00 0.00 O ATOM 0 H GLY A 4 -12.047 22.869 -11.607 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.980 20.851 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.564 20.147 -11.748 1.00 0.00 H new ATOM 37 N SER A 5 -12.854 21.633 -8.858 1.00 0.00 N ATOM 38 CA SER A 5 -12.262 21.786 -7.539 1.00 0.00 C ATOM 39 C SER A 5 -12.389 20.478 -6.754 1.00 0.00 C ATOM 40 O SER A 5 -13.072 19.553 -7.189 1.00 0.00 O ATOM 41 CB SER A 5 -12.921 22.932 -6.770 1.00 0.00 C ATOM 42 OG SER A 5 -12.009 23.997 -6.513 1.00 0.00 O ATOM 0 H SER A 5 -13.817 21.959 -8.934 1.00 0.00 H new ATOM 0 HA SER A 5 -11.206 22.027 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.769 23.311 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.314 22.556 -5.826 1.00 0.00 H new ATOM 0 HG SER A 5 -12.468 24.710 -6.022 1.00 0.00 H new ATOM 48 N SER A 6 -11.719 20.445 -5.611 1.00 0.00 N ATOM 49 CA SER A 6 -11.748 19.266 -4.762 1.00 0.00 C ATOM 50 C SER A 6 -11.091 19.576 -3.415 1.00 0.00 C ATOM 51 O SER A 6 -9.882 19.793 -3.345 1.00 0.00 O ATOM 52 CB SER A 6 -11.046 18.085 -5.435 1.00 0.00 C ATOM 53 OG SER A 6 -11.384 16.844 -4.821 1.00 0.00 O ATOM 0 H SER A 6 -11.153 21.215 -5.253 1.00 0.00 H new ATOM 0 HA SER A 6 -12.789 18.989 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.319 18.054 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.967 18.230 -5.389 1.00 0.00 H new ATOM 0 HG SER A 6 -10.918 16.114 -5.280 1.00 0.00 H new ATOM 59 N GLY A 7 -11.916 19.587 -2.379 1.00 0.00 N ATOM 60 CA GLY A 7 -11.431 19.866 -1.038 1.00 0.00 C ATOM 61 C GLY A 7 -12.588 19.943 -0.041 1.00 0.00 C ATOM 62 O GLY A 7 -13.262 20.967 0.057 1.00 0.00 O ATOM 0 H GLY A 7 -12.918 19.407 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.733 19.087 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.881 20.807 -1.035 1.00 0.00 H new ATOM 66 N VAL A 8 -12.785 18.845 0.675 1.00 0.00 N ATOM 67 CA VAL A 8 -13.849 18.775 1.661 1.00 0.00 C ATOM 68 C VAL A 8 -13.455 17.787 2.761 1.00 0.00 C ATOM 69 O VAL A 8 -12.895 16.729 2.478 1.00 0.00 O ATOM 70 CB VAL A 8 -15.171 18.415 0.980 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.254 18.102 2.015 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.622 19.530 0.035 1.00 0.00 C ATOM 0 H VAL A 8 -12.225 17.997 0.591 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.996 19.746 2.133 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.007 17.517 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.183 17.849 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.937 17.260 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.414 18.974 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.564 19.249 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.760 20.452 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.864 19.685 -0.733 1.00 0.00 H new ATOM 82 N ILE A 9 -13.763 18.167 3.992 1.00 0.00 N ATOM 83 CA ILE A 9 -13.448 17.328 5.136 1.00 0.00 C ATOM 84 C ILE A 9 -11.929 17.202 5.268 1.00 0.00 C ATOM 85 O ILE A 9 -11.233 16.976 4.279 1.00 0.00 O ATOM 86 CB ILE A 9 -14.169 15.983 5.028 1.00 0.00 C ATOM 87 CG1 ILE A 9 -15.688 16.174 5.020 1.00 0.00 C ATOM 88 CG2 ILE A 9 -13.717 15.028 6.135 1.00 0.00 C ATOM 89 CD1 ILE A 9 -16.365 15.144 4.113 1.00 0.00 C ATOM 0 H ILE A 9 -14.228 19.045 4.223 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.811 17.786 6.056 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.897 15.525 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.075 16.081 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.930 17.180 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.245 14.080 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.644 14.857 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.940 15.467 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.443 15.302 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.993 15.256 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.141 14.140 4.472 1.00 0.00 H new ATOM 101 N GLU A 10 -11.460 17.355 6.497 1.00 0.00 N ATOM 102 CA GLU A 10 -10.036 17.262 6.772 1.00 0.00 C ATOM 103 C GLU A 10 -9.724 15.967 7.525 1.00 0.00 C ATOM 104 O GLU A 10 -9.244 16.003 8.657 1.00 0.00 O ATOM 105 CB GLU A 10 -9.547 18.482 7.554 1.00 0.00 C ATOM 106 CG GLU A 10 -10.633 18.999 8.499 1.00 0.00 C ATOM 107 CD GLU A 10 -10.055 19.995 9.507 1.00 0.00 C ATOM 108 OE1 GLU A 10 -10.002 21.193 9.154 1.00 0.00 O ATOM 109 OE2 GLU A 10 -9.680 19.535 10.607 1.00 0.00 O ATOM 0 H GLU A 10 -12.041 17.543 7.314 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.503 17.244 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.657 18.219 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.258 19.271 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.424 19.478 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.087 18.162 9.029 1.00 0.00 H new ATOM 116 N SER A 11 -10.010 14.853 6.866 1.00 0.00 N ATOM 117 CA SER A 11 -9.766 13.549 7.460 1.00 0.00 C ATOM 118 C SER A 11 -8.298 13.428 7.872 1.00 0.00 C ATOM 119 O SER A 11 -7.996 13.081 9.013 1.00 0.00 O ATOM 120 CB SER A 11 -10.140 12.425 6.492 1.00 0.00 C ATOM 121 OG SER A 11 -9.748 11.146 6.982 1.00 0.00 O ATOM 0 H SER A 11 -10.408 14.827 5.927 1.00 0.00 H new ATOM 0 HA SER A 11 -10.394 13.453 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.217 12.434 6.324 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.666 12.605 5.527 1.00 0.00 H new ATOM 0 HG SER A 11 -10.006 10.455 6.336 1.00 0.00 H new ATOM 127 N GLU A 12 -7.423 13.722 6.921 1.00 0.00 N ATOM 128 CA GLU A 12 -5.994 13.650 7.171 1.00 0.00 C ATOM 129 C GLU A 12 -5.586 12.216 7.516 1.00 0.00 C ATOM 130 O GLU A 12 -6.321 11.506 8.201 1.00 0.00 O ATOM 131 CB GLU A 12 -5.582 14.619 8.281 1.00 0.00 C ATOM 132 CG GLU A 12 -4.763 15.782 7.718 1.00 0.00 C ATOM 133 CD GLU A 12 -5.077 17.083 8.459 1.00 0.00 C ATOM 134 OE1 GLU A 12 -4.942 17.075 9.702 1.00 0.00 O ATOM 135 OE2 GLU A 12 -5.446 18.056 7.767 1.00 0.00 O ATOM 0 H GLU A 12 -7.677 14.011 5.976 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.471 13.947 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.471 15.004 8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.998 14.089 9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.700 15.558 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.978 15.903 6.656 1.00 0.00 H new ATOM 142 N THR A 13 -4.417 11.833 7.025 1.00 0.00 N ATOM 143 CA THR A 13 -3.903 10.496 7.272 1.00 0.00 C ATOM 144 C THR A 13 -2.448 10.562 7.740 1.00 0.00 C ATOM 145 O THR A 13 -1.673 11.386 7.255 1.00 0.00 O ATOM 146 CB THR A 13 -4.095 9.672 5.997 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.431 9.187 6.095 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.238 8.405 5.985 1.00 0.00 C ATOM 0 H THR A 13 -3.811 12.425 6.457 1.00 0.00 H new ATOM 0 HA THR A 13 -4.449 10.005 8.078 1.00 0.00 H new ATOM 0 HB THR A 13 -3.850 10.284 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.640 8.643 5.307 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.412 7.857 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.185 8.677 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.506 7.777 6.834 1.00 0.00 H new ATOM 156 N LEU A 14 -2.120 9.684 8.676 1.00 0.00 N ATOM 157 CA LEU A 14 -0.772 9.633 9.215 1.00 0.00 C ATOM 158 C LEU A 14 -0.011 8.475 8.564 1.00 0.00 C ATOM 159 O LEU A 14 -0.604 7.454 8.220 1.00 0.00 O ATOM 160 CB LEU A 14 -0.807 9.563 10.743 1.00 0.00 C ATOM 161 CG LEU A 14 -1.636 10.641 11.444 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.398 10.058 12.636 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.761 11.829 11.848 1.00 0.00 C ATOM 0 H LEU A 14 -2.765 9.002 9.075 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.231 10.548 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.196 8.587 11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.216 9.621 11.113 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.379 11.014 10.739 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.979 10.845 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.069 9.272 12.290 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.690 9.641 13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.375 12.581 12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.020 11.491 12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.304 12.263 10.959 1.00 0.00 H new ATOM 175 N ILE A 15 1.290 8.674 8.415 1.00 0.00 N ATOM 176 CA ILE A 15 2.138 7.659 7.812 1.00 0.00 C ATOM 177 C ILE A 15 2.130 6.406 8.690 1.00 0.00 C ATOM 178 O ILE A 15 2.099 5.287 8.180 1.00 0.00 O ATOM 179 CB ILE A 15 3.538 8.218 7.550 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.366 7.248 6.704 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.239 8.577 8.861 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.744 7.832 6.391 1.00 0.00 C ATOM 0 H ILE A 15 1.778 9.523 8.701 1.00 0.00 H new ATOM 0 HA ILE A 15 1.749 7.367 6.837 1.00 0.00 H new ATOM 0 HB ILE A 15 3.436 9.139 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.480 6.303 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.840 7.030 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.232 8.972 8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.656 9.330 9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.329 7.685 9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.312 7.123 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.627 8.765 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.277 8.026 7.322 1.00 0.00 H new ATOM 194 N GLU A 16 2.159 6.637 9.994 1.00 0.00 N ATOM 195 CA GLU A 16 2.155 5.540 10.948 1.00 0.00 C ATOM 196 C GLU A 16 0.787 4.856 10.965 1.00 0.00 C ATOM 197 O GLU A 16 0.610 3.830 11.620 1.00 0.00 O ATOM 198 CB GLU A 16 2.542 6.028 12.346 1.00 0.00 C ATOM 199 CG GLU A 16 4.005 6.474 12.385 1.00 0.00 C ATOM 200 CD GLU A 16 4.378 7.010 13.769 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.113 8.209 14.004 1.00 0.00 O ATOM 202 OE2 GLU A 16 4.919 6.208 14.561 1.00 0.00 O ATOM 0 H GLU A 16 2.185 7.567 10.413 1.00 0.00 H new ATOM 0 HA GLU A 16 2.901 4.809 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.897 6.857 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.382 5.230 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.652 5.635 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.174 7.246 11.634 1.00 0.00 H new ATOM 209 N ASP A 17 -0.146 5.452 10.238 1.00 0.00 N ATOM 210 CA ASP A 17 -1.494 4.913 10.162 1.00 0.00 C ATOM 211 C ASP A 17 -1.639 4.096 8.877 1.00 0.00 C ATOM 212 O ASP A 17 -2.440 3.164 8.817 1.00 0.00 O ATOM 213 CB ASP A 17 -2.534 6.034 10.129 1.00 0.00 C ATOM 214 CG ASP A 17 -3.525 6.031 11.295 1.00 0.00 C ATOM 215 OD1 ASP A 17 -3.130 5.537 12.373 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.654 6.523 11.082 1.00 0.00 O ATOM 0 H ASP A 17 0.004 6.303 9.696 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.660 4.293 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.014 6.992 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.093 5.963 9.196 1.00 0.00 H new ATOM 221 N VAL A 18 -0.852 4.473 7.880 1.00 0.00 N ATOM 222 CA VAL A 18 -0.883 3.787 6.600 1.00 0.00 C ATOM 223 C VAL A 18 0.218 2.725 6.569 1.00 0.00 C ATOM 224 O VAL A 18 0.140 1.767 5.801 1.00 0.00 O ATOM 225 CB VAL A 18 -0.768 4.800 5.460 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.982 4.126 4.103 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.746 5.960 5.656 1.00 0.00 C ATOM 0 H VAL A 18 -0.188 5.246 7.933 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.835 3.273 6.465 1.00 0.00 H new ATOM 0 HB VAL A 18 0.243 5.208 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.895 4.869 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.229 3.351 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.975 3.677 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.643 6.666 4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.766 5.576 5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.527 6.466 6.596 1.00 0.00 H new ATOM 237 N LEU A 19 1.218 2.930 7.413 1.00 0.00 N ATOM 238 CA LEU A 19 2.334 2.002 7.492 1.00 0.00 C ATOM 239 C LEU A 19 2.021 0.923 8.531 1.00 0.00 C ATOM 240 O LEU A 19 2.316 -0.252 8.318 1.00 0.00 O ATOM 241 CB LEU A 19 3.639 2.755 7.761 1.00 0.00 C ATOM 242 CG LEU A 19 4.335 3.349 6.535 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.324 2.352 5.929 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.312 3.839 5.508 1.00 0.00 C ATOM 0 H LEU A 19 1.279 3.725 8.049 1.00 0.00 H new ATOM 0 HA LEU A 19 2.477 1.495 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.431 3.562 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.333 2.074 8.254 1.00 0.00 H new ATOM 0 HG LEU A 19 4.910 4.217 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.805 2.799 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.081 2.095 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.792 1.450 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.833 4.257 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.690 3.003 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.683 4.607 5.959 1.00 0.00 H new ATOM 256 N ARG A 20 1.428 1.361 9.632 1.00 0.00 N ATOM 257 CA ARG A 20 1.072 0.447 10.704 1.00 0.00 C ATOM 258 C ARG A 20 0.568 -0.878 10.127 1.00 0.00 C ATOM 259 O ARG A 20 1.061 -1.945 10.489 1.00 0.00 O ATOM 260 CB ARG A 20 -0.009 1.048 11.604 1.00 0.00 C ATOM 261 CG ARG A 20 0.553 1.388 12.985 1.00 0.00 C ATOM 262 CD ARG A 20 0.878 0.117 13.773 1.00 0.00 C ATOM 263 NE ARG A 20 -0.370 -0.497 14.280 1.00 0.00 N ATOM 264 CZ ARG A 20 -0.410 -1.452 15.219 1.00 0.00 C ATOM 265 NH1 ARG A 20 0.728 -1.909 15.758 1.00 0.00 N ATOM 266 NH2 ARG A 20 -1.588 -1.951 15.618 1.00 0.00 N ATOM 0 H ARG A 20 1.185 2.336 9.805 1.00 0.00 H new ATOM 0 HA ARG A 20 1.967 0.270 11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.414 1.948 11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.834 0.344 11.707 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.453 1.993 12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.170 1.988 13.538 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.408 -0.590 13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.540 0.355 14.605 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.255 -0.173 13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.625 -1.530 15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.698 -2.636 16.473 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.454 -1.604 15.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.618 -2.678 16.333 1.00 0.00 H new ATOM 280 N PRO A 21 -0.435 -0.763 9.215 1.00 0.00 N ATOM 281 CA PRO A 21 -1.011 -1.938 8.584 1.00 0.00 C ATOM 282 C PRO A 21 -0.067 -2.511 7.526 1.00 0.00 C ATOM 283 O PRO A 21 0.286 -3.688 7.575 1.00 0.00 O ATOM 284 CB PRO A 21 -2.335 -1.465 8.006 1.00 0.00 C ATOM 285 CG PRO A 21 -2.238 0.050 7.928 1.00 0.00 C ATOM 286 CD PRO A 21 -1.044 0.484 8.762 1.00 0.00 C ATOM 0 HA PRO A 21 -1.168 -2.758 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.507 -1.897 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.169 -1.771 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.118 0.372 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.152 0.511 8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.343 1.076 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.353 1.102 9.605 1.00 0.00 H new ATOM 294 N LEU A 22 0.316 -1.651 6.592 1.00 0.00 N ATOM 295 CA LEU A 22 1.212 -2.057 5.523 1.00 0.00 C ATOM 296 C LEU A 22 2.371 -2.863 6.114 1.00 0.00 C ATOM 297 O LEU A 22 2.896 -3.768 5.466 1.00 0.00 O ATOM 298 CB LEU A 22 1.660 -0.841 4.710 1.00 0.00 C ATOM 299 CG LEU A 22 0.804 -0.498 3.489 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.188 0.867 2.916 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.883 -1.605 2.435 1.00 0.00 C ATOM 0 H LEU A 22 0.022 -0.675 6.554 1.00 0.00 H new ATOM 0 HA LEU A 22 0.696 -2.710 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.679 0.026 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.684 -1.010 4.376 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.236 -0.432 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.565 1.086 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.038 1.635 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.236 0.854 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.266 -1.336 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.917 -1.728 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.523 -2.541 2.862 1.00 0.00 H new ATOM 313 N GLU A 23 2.736 -2.506 7.336 1.00 0.00 N ATOM 314 CA GLU A 23 3.823 -3.185 8.021 1.00 0.00 C ATOM 315 C GLU A 23 3.309 -4.453 8.705 1.00 0.00 C ATOM 316 O GLU A 23 3.899 -5.523 8.560 1.00 0.00 O ATOM 317 CB GLU A 23 4.502 -2.255 9.028 1.00 0.00 C ATOM 318 CG GLU A 23 5.562 -1.388 8.346 1.00 0.00 C ATOM 319 CD GLU A 23 6.651 -0.972 9.338 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.016 -1.828 10.172 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.094 0.193 9.239 1.00 0.00 O ATOM 0 H GLU A 23 2.298 -1.755 7.870 1.00 0.00 H new ATOM 0 HA GLU A 23 4.570 -3.472 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.755 -1.617 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.964 -2.845 9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.010 -1.938 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.093 -0.500 7.922 1.00 0.00 H new ATOM 328 N GLN A 24 2.216 -4.292 9.436 1.00 0.00 N ATOM 329 CA GLN A 24 1.617 -5.410 10.143 1.00 0.00 C ATOM 330 C GLN A 24 1.374 -6.576 9.182 1.00 0.00 C ATOM 331 O GLN A 24 1.338 -7.733 9.600 1.00 0.00 O ATOM 332 CB GLN A 24 0.318 -4.990 10.834 1.00 0.00 C ATOM 333 CG GLN A 24 -0.891 -5.242 9.931 1.00 0.00 C ATOM 334 CD GLN A 24 -1.527 -6.601 10.232 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.950 -7.453 10.887 1.00 0.00 O ATOM 336 NE2 GLN A 24 -2.744 -6.754 9.720 1.00 0.00 N ATOM 0 H GLN A 24 1.730 -3.403 9.554 1.00 0.00 H new ATOM 0 HA GLN A 24 2.311 -5.739 10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.202 -5.544 11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.367 -3.933 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.628 -4.452 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.583 -5.204 8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.169 -6.000 9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.253 -7.626 9.866 1.00 0.00 H new ATOM 345 N ALA A 25 1.213 -6.232 7.913 1.00 0.00 N ATOM 346 CA ALA A 25 0.974 -7.236 6.890 1.00 0.00 C ATOM 347 C ALA A 25 2.277 -7.986 6.604 1.00 0.00 C ATOM 348 O ALA A 25 2.267 -9.198 6.396 1.00 0.00 O ATOM 349 CB ALA A 25 0.401 -6.565 5.640 1.00 0.00 C ATOM 0 H ALA A 25 1.243 -5.272 7.570 1.00 0.00 H new ATOM 0 HA ALA A 25 0.241 -7.967 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.222 -7.318 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.538 -6.071 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.110 -5.827 5.265 1.00 0.00 H new ATOM 355 N LEU A 26 3.368 -7.233 6.602 1.00 0.00 N ATOM 356 CA LEU A 26 4.675 -7.812 6.345 1.00 0.00 C ATOM 357 C LEU A 26 4.970 -8.884 7.396 1.00 0.00 C ATOM 358 O LEU A 26 5.264 -10.029 7.055 1.00 0.00 O ATOM 359 CB LEU A 26 5.741 -6.716 6.270 1.00 0.00 C ATOM 360 CG LEU A 26 7.064 -7.111 5.611 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.822 -7.943 4.350 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.925 -5.878 5.328 1.00 0.00 C ATOM 0 H LEU A 26 3.373 -6.228 6.774 1.00 0.00 H new ATOM 0 HA LEU A 26 4.688 -8.306 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.325 -5.869 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.951 -6.371 7.282 1.00 0.00 H new ATOM 0 HG LEU A 26 7.619 -7.738 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.779 -8.210 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.278 -8.850 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.237 -7.362 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.860 -6.187 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.388 -5.205 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.141 -5.363 6.264 1.00 0.00 H new ATOM 374 N GLU A 27 4.880 -8.476 8.653 1.00 0.00 N ATOM 375 CA GLU A 27 5.133 -9.387 9.756 1.00 0.00 C ATOM 376 C GLU A 27 4.411 -10.716 9.522 1.00 0.00 C ATOM 377 O GLU A 27 5.004 -11.783 9.671 1.00 0.00 O ATOM 378 CB GLU A 27 4.715 -8.764 11.089 1.00 0.00 C ATOM 379 CG GLU A 27 5.806 -7.835 11.626 1.00 0.00 C ATOM 380 CD GLU A 27 6.412 -8.389 12.917 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.646 -9.016 13.679 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.628 -8.172 13.112 1.00 0.00 O ATOM 0 H GLU A 27 4.635 -7.526 8.932 1.00 0.00 H new ATOM 0 HA GLU A 27 6.205 -9.581 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.788 -8.205 10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.513 -9.551 11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.588 -7.714 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.387 -6.846 11.812 1.00 0.00 H new ATOM 389 N ASP A 28 3.141 -10.608 9.160 1.00 0.00 N ATOM 390 CA ASP A 28 2.333 -11.788 8.905 1.00 0.00 C ATOM 391 C ASP A 28 2.986 -12.619 7.799 1.00 0.00 C ATOM 392 O ASP A 28 2.937 -13.848 7.830 1.00 0.00 O ATOM 393 CB ASP A 28 0.927 -11.402 8.438 1.00 0.00 C ATOM 394 CG ASP A 28 -0.208 -11.864 9.354 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.153 -13.039 9.776 1.00 0.00 O ATOM 396 OD2 ASP A 28 -1.104 -11.032 9.611 1.00 0.00 O ATOM 0 H ASP A 28 2.652 -9.721 9.037 1.00 0.00 H new ATOM 0 HA ASP A 28 2.263 -12.355 9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.877 -10.317 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.764 -11.818 7.444 1.00 0.00 H new ATOM 401 N CYS A 29 3.583 -11.915 6.848 1.00 0.00 N ATOM 402 CA CYS A 29 4.246 -12.573 5.735 1.00 0.00 C ATOM 403 C CYS A 29 5.574 -13.145 6.236 1.00 0.00 C ATOM 404 O CYS A 29 5.978 -14.233 5.830 1.00 0.00 O ATOM 405 CB CYS A 29 4.444 -11.622 4.553 1.00 0.00 C ATOM 406 SG CYS A 29 2.917 -11.549 3.546 1.00 0.00 S ATOM 0 H CYS A 29 3.621 -10.896 6.825 1.00 0.00 H new ATOM 0 HA CYS A 29 3.620 -13.384 5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.698 -10.626 4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.279 -11.961 3.939 1.00 0.00 H new ATOM 0 HG CYS A 29 3.095 -10.738 2.546 1.00 0.00 H new ATOM 412 N HIS A 30 6.216 -12.385 7.112 1.00 0.00 N ATOM 413 CA HIS A 30 7.489 -12.802 7.672 1.00 0.00 C ATOM 414 C HIS A 30 7.328 -14.161 8.357 1.00 0.00 C ATOM 415 O HIS A 30 8.313 -14.852 8.614 1.00 0.00 O ATOM 416 CB HIS A 30 8.049 -11.729 8.609 1.00 0.00 C ATOM 417 CG HIS A 30 8.531 -12.263 9.936 1.00 0.00 C ATOM 418 ND1 HIS A 30 9.854 -12.191 10.338 1.00 0.00 N ATOM 419 CD2 HIS A 30 7.855 -12.878 10.949 1.00 0.00 C ATOM 420 CE1 HIS A 30 9.957 -12.740 11.539 1.00 0.00 C ATOM 421 NE2 HIS A 30 8.717 -13.166 11.916 1.00 0.00 N ATOM 0 H HIS A 30 5.878 -11.483 7.447 1.00 0.00 H new ATOM 0 HA HIS A 30 8.220 -12.921 6.872 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.876 -11.222 8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.278 -10.980 8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.797 -13.094 10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.864 -12.834 12.118 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.490 -13.629 12.796 1.00 0.00 H new ATOM 429 N GLY A 31 6.079 -14.504 8.633 1.00 0.00 N ATOM 430 CA GLY A 31 5.776 -15.768 9.283 1.00 0.00 C ATOM 431 C GLY A 31 5.020 -16.704 8.337 1.00 0.00 C ATOM 432 O GLY A 31 4.418 -17.682 8.776 1.00 0.00 O ATOM 0 H GLY A 31 5.264 -13.929 8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.701 -16.244 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.178 -15.587 10.176 1.00 0.00 H new ATOM 436 N HIS A 32 5.077 -16.370 7.056 1.00 0.00 N ATOM 437 CA HIS A 32 4.405 -17.168 6.045 1.00 0.00 C ATOM 438 C HIS A 32 5.174 -17.076 4.725 1.00 0.00 C ATOM 439 O HIS A 32 5.792 -18.048 4.293 1.00 0.00 O ATOM 440 CB HIS A 32 2.940 -16.751 5.907 1.00 0.00 C ATOM 441 CG HIS A 32 2.022 -17.388 6.923 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.910 -18.758 7.077 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.175 -16.828 7.835 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.033 -19.001 8.040 1.00 0.00 C ATOM 445 NE2 HIS A 32 0.578 -17.803 8.508 1.00 0.00 N ATOM 0 H HIS A 32 5.578 -15.558 6.695 1.00 0.00 H new ATOM 0 HA HIS A 32 4.396 -18.215 6.350 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.871 -15.667 5.999 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.592 -17.008 4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.017 -15.770 7.984 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.731 -19.976 8.393 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.108 -17.678 9.252 1.00 0.00 H new ATOM 453 N THR A 33 5.110 -15.899 4.121 1.00 0.00 N ATOM 454 CA THR A 33 5.792 -15.668 2.859 1.00 0.00 C ATOM 455 C THR A 33 7.284 -15.980 2.994 1.00 0.00 C ATOM 456 O THR A 33 7.853 -15.851 4.077 1.00 0.00 O ATOM 457 CB THR A 33 5.510 -14.228 2.426 1.00 0.00 C ATOM 458 OG1 THR A 33 4.103 -14.083 2.598 1.00 0.00 O ATOM 459 CG2 THR A 33 5.725 -14.014 0.926 1.00 0.00 C ATOM 0 H THR A 33 4.596 -15.095 4.482 1.00 0.00 H new ATOM 0 HA THR A 33 5.421 -16.336 2.081 1.00 0.00 H new ATOM 0 HB THR A 33 6.153 -13.549 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.860 -13.137 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.511 -12.976 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.759 -14.245 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.058 -14.669 0.366 1.00 0.00 H new ATOM 467 N LYS A 34 7.874 -16.385 1.879 1.00 0.00 N ATOM 468 CA LYS A 34 9.289 -16.717 1.860 1.00 0.00 C ATOM 469 C LYS A 34 10.095 -15.526 2.380 1.00 0.00 C ATOM 470 O LYS A 34 9.524 -14.516 2.789 1.00 0.00 O ATOM 471 CB LYS A 34 9.710 -17.183 0.465 1.00 0.00 C ATOM 472 CG LYS A 34 8.769 -18.270 -0.058 1.00 0.00 C ATOM 473 CD LYS A 34 9.556 -19.407 -0.715 1.00 0.00 C ATOM 474 CE LYS A 34 10.100 -18.980 -2.080 1.00 0.00 C ATOM 475 NZ LYS A 34 11.411 -19.617 -2.337 1.00 0.00 N ATOM 0 H LYS A 34 7.399 -16.491 0.983 1.00 0.00 H new ATOM 0 HA LYS A 34 9.493 -17.555 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.709 -16.336 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.730 -17.565 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.171 -18.664 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.075 -17.839 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.381 -19.705 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.913 -20.279 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.394 -19.258 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.203 -17.895 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.766 -19.317 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.086 -19.331 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.303 -20.651 -2.325 1.00 0.00 H new ATOM 489 N LYS A 35 11.410 -15.682 2.347 1.00 0.00 N ATOM 490 CA LYS A 35 12.301 -14.632 2.811 1.00 0.00 C ATOM 491 C LYS A 35 12.518 -13.620 1.684 1.00 0.00 C ATOM 492 O LYS A 35 12.152 -12.453 1.813 1.00 0.00 O ATOM 493 CB LYS A 35 13.598 -15.232 3.358 1.00 0.00 C ATOM 494 CG LYS A 35 14.555 -14.133 3.826 1.00 0.00 C ATOM 495 CD LYS A 35 14.148 -13.602 5.202 1.00 0.00 C ATOM 496 CE LYS A 35 15.148 -12.558 5.704 1.00 0.00 C ATOM 497 NZ LYS A 35 15.841 -13.047 6.917 1.00 0.00 N ATOM 0 H LYS A 35 11.880 -16.520 2.006 1.00 0.00 H new ATOM 0 HA LYS A 35 11.852 -14.091 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.372 -15.900 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.079 -15.834 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.571 -14.525 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.559 -13.317 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.153 -13.160 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.091 -14.427 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.877 -12.340 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.629 -11.625 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.516 -12.327 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.142 -13.233 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.352 -13.925 6.695 1.00 0.00 H new ATOM 511 N GLN A 36 13.114 -14.104 0.604 1.00 0.00 N ATOM 512 CA GLN A 36 13.385 -13.257 -0.545 1.00 0.00 C ATOM 513 C GLN A 36 12.194 -12.335 -0.817 1.00 0.00 C ATOM 514 O GLN A 36 12.356 -11.119 -0.915 1.00 0.00 O ATOM 515 CB GLN A 36 13.720 -14.096 -1.779 1.00 0.00 C ATOM 516 CG GLN A 36 15.092 -14.759 -1.635 1.00 0.00 C ATOM 517 CD GLN A 36 16.203 -13.833 -2.134 1.00 0.00 C ATOM 518 OE1 GLN A 36 16.906 -13.195 -1.367 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.322 -13.796 -3.458 1.00 0.00 N ATOM 0 H GLN A 36 13.417 -15.072 0.501 1.00 0.00 H new ATOM 0 HA GLN A 36 14.255 -12.640 -0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.956 -14.860 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.709 -13.464 -2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.269 -15.015 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.110 -15.692 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.700 -14.356 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.035 -13.208 -3.890 1.00 0.00 H new ATOM 528 N VAL A 37 11.025 -12.948 -0.930 1.00 0.00 N ATOM 529 CA VAL A 37 9.808 -12.197 -1.188 1.00 0.00 C ATOM 530 C VAL A 37 9.749 -10.991 -0.248 1.00 0.00 C ATOM 531 O VAL A 37 9.756 -9.847 -0.700 1.00 0.00 O ATOM 532 CB VAL A 37 8.590 -13.115 -1.060 1.00 0.00 C ATOM 533 CG1 VAL A 37 8.651 -13.929 0.233 1.00 0.00 C ATOM 534 CG2 VAL A 37 7.289 -12.314 -1.144 1.00 0.00 C ATOM 0 H VAL A 37 10.895 -13.956 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 37 9.804 -11.814 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 37 8.607 -13.814 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.774 -14.573 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.552 -14.542 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.670 -13.253 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.439 -12.990 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.260 -11.581 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.240 -11.800 -2.104 1.00 0.00 H new ATOM 544 N CYS A 38 9.691 -11.289 1.042 1.00 0.00 N ATOM 545 CA CYS A 38 9.631 -10.243 2.049 1.00 0.00 C ATOM 546 C CYS A 38 10.749 -9.238 1.765 1.00 0.00 C ATOM 547 O CYS A 38 10.483 -8.064 1.509 1.00 0.00 O ATOM 548 CB CYS A 38 9.724 -10.815 3.465 1.00 0.00 C ATOM 549 SG CYS A 38 9.488 -9.482 4.696 1.00 0.00 S ATOM 0 H CYS A 38 9.684 -12.239 1.413 1.00 0.00 H new ATOM 0 HA CYS A 38 8.667 -9.737 1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.968 -11.588 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.695 -11.289 3.612 1.00 0.00 H new ATOM 0 HG CYS A 38 9.567 -9.979 5.895 1.00 0.00 H new ATOM 555 N ASP A 39 11.976 -9.734 1.821 1.00 0.00 N ATOM 556 CA ASP A 39 13.135 -8.894 1.573 1.00 0.00 C ATOM 557 C ASP A 39 12.840 -7.958 0.400 1.00 0.00 C ATOM 558 O ASP A 39 13.371 -6.851 0.335 1.00 0.00 O ATOM 559 CB ASP A 39 14.359 -9.737 1.210 1.00 0.00 C ATOM 560 CG ASP A 39 15.517 -9.661 2.207 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.269 -9.165 3.327 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.623 -10.100 1.826 1.00 0.00 O ATOM 0 H ASP A 39 12.193 -10.708 2.035 1.00 0.00 H new ATOM 0 HA ASP A 39 13.343 -8.330 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.049 -10.778 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.721 -9.422 0.231 1.00 0.00 H new ATOM 567 N ASP A 40 11.994 -8.438 -0.500 1.00 0.00 N ATOM 568 CA ASP A 40 11.621 -7.658 -1.668 1.00 0.00 C ATOM 569 C ASP A 40 10.547 -6.642 -1.276 1.00 0.00 C ATOM 570 O ASP A 40 10.750 -5.436 -1.407 1.00 0.00 O ATOM 571 CB ASP A 40 11.047 -8.553 -2.768 1.00 0.00 C ATOM 572 CG ASP A 40 11.413 -8.139 -4.195 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.629 -8.109 -4.483 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.468 -7.863 -4.965 1.00 0.00 O ATOM 0 H ASP A 40 11.556 -9.358 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 40 12.516 -7.159 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.392 -9.574 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.961 -8.565 -2.676 1.00 0.00 H new ATOM 579 N ILE A 41 9.426 -7.166 -0.802 1.00 0.00 N ATOM 580 CA ILE A 41 8.319 -6.320 -0.391 1.00 0.00 C ATOM 581 C ILE A 41 8.836 -5.240 0.562 1.00 0.00 C ATOM 582 O ILE A 41 8.595 -4.053 0.350 1.00 0.00 O ATOM 583 CB ILE A 41 7.187 -7.166 0.195 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.561 -8.061 -0.877 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.144 -6.285 0.885 1.00 0.00 C ATOM 586 CD1 ILE A 41 6.044 -9.366 -0.268 1.00 0.00 C ATOM 0 H ILE A 41 9.261 -8.167 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 41 7.890 -5.808 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 41 7.610 -7.821 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.741 -7.533 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.299 -8.283 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.351 -6.912 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.617 -5.727 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.720 -5.588 0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.604 -9.984 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.871 -9.903 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.288 -9.142 0.485 1.00 0.00 H new ATOM 598 N SER A 42 9.536 -5.691 1.593 1.00 0.00 N ATOM 599 CA SER A 42 10.088 -4.778 2.579 1.00 0.00 C ATOM 600 C SER A 42 10.856 -3.654 1.880 1.00 0.00 C ATOM 601 O SER A 42 10.560 -2.477 2.082 1.00 0.00 O ATOM 602 CB SER A 42 11.003 -5.515 3.560 1.00 0.00 C ATOM 603 OG SER A 42 11.981 -6.303 2.888 1.00 0.00 O ATOM 0 H SER A 42 9.733 -6.677 1.767 1.00 0.00 H new ATOM 0 HA SER A 42 9.263 -4.347 3.146 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.501 -4.791 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.402 -6.156 4.205 1.00 0.00 H new ATOM 0 HG SER A 42 11.544 -7.064 2.452 1.00 0.00 H new ATOM 609 N ARG A 43 11.826 -4.056 1.072 1.00 0.00 N ATOM 610 CA ARG A 43 12.638 -3.098 0.342 1.00 0.00 C ATOM 611 C ARG A 43 11.764 -1.961 -0.192 1.00 0.00 C ATOM 612 O ARG A 43 12.198 -0.811 -0.241 1.00 0.00 O ATOM 613 CB ARG A 43 13.363 -3.767 -0.827 1.00 0.00 C ATOM 614 CG ARG A 43 14.877 -3.765 -0.606 1.00 0.00 C ATOM 615 CD ARG A 43 15.625 -3.766 -1.941 1.00 0.00 C ATOM 616 NE ARG A 43 17.082 -3.657 -1.704 1.00 0.00 N ATOM 617 CZ ARG A 43 17.727 -2.498 -1.509 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.047 -1.343 -1.521 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.051 -2.495 -1.302 1.00 0.00 N ATOM 0 H ARG A 43 12.068 -5.033 0.907 1.00 0.00 H new ATOM 0 HA ARG A 43 13.380 -2.698 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 43 13.010 -4.792 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.126 -3.244 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.162 -2.888 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.164 -4.640 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.405 -4.682 -2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.285 -2.934 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 43 17.630 -4.517 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.039 -1.346 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.537 -0.461 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.568 -3.374 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.542 -1.613 -1.154 1.00 0.00 H new ATOM 633 N ARG A 44 10.550 -2.322 -0.579 1.00 0.00 N ATOM 634 CA ARG A 44 9.612 -1.347 -1.108 1.00 0.00 C ATOM 635 C ARG A 44 9.108 -0.434 0.012 1.00 0.00 C ATOM 636 O ARG A 44 9.104 0.788 -0.133 1.00 0.00 O ATOM 637 CB ARG A 44 8.418 -2.035 -1.773 1.00 0.00 C ATOM 638 CG ARG A 44 8.883 -3.107 -2.760 1.00 0.00 C ATOM 639 CD ARG A 44 9.688 -2.486 -3.904 1.00 0.00 C ATOM 640 NE ARG A 44 10.987 -3.181 -4.043 1.00 0.00 N ATOM 641 CZ ARG A 44 11.126 -4.427 -4.516 1.00 0.00 C ATOM 642 NH1 ARG A 44 10.046 -5.122 -4.899 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.344 -4.977 -4.607 1.00 0.00 N ATOM 0 H ARG A 44 10.194 -3.277 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 44 10.137 -0.754 -1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.784 -2.488 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.811 -1.295 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.493 -3.845 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.019 -3.635 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.126 -2.557 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.852 -1.426 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 44 11.830 -2.680 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.119 -4.702 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.151 -6.070 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.166 -4.447 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.450 -5.925 -4.967 1.00 0.00 H new ATOM 657 N LEU A 45 8.693 -1.062 1.102 1.00 0.00 N ATOM 658 CA LEU A 45 8.188 -0.321 2.246 1.00 0.00 C ATOM 659 C LEU A 45 9.176 0.790 2.605 1.00 0.00 C ATOM 660 O LEU A 45 8.803 1.960 2.671 1.00 0.00 O ATOM 661 CB LEU A 45 7.882 -1.271 3.406 1.00 0.00 C ATOM 662 CG LEU A 45 7.001 -2.477 3.071 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.366 -3.060 4.335 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.953 -2.114 2.017 1.00 0.00 C ATOM 0 H LEU A 45 8.696 -2.075 1.218 1.00 0.00 H new ATOM 0 HA LEU A 45 7.242 0.161 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.826 -1.637 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.397 -0.701 4.198 1.00 0.00 H new ATOM 0 HG LEU A 45 7.634 -3.254 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.745 -3.916 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.150 -3.380 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.750 -2.300 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.340 -2.988 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.319 -1.312 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.452 -1.782 1.107 1.00 0.00 H new ATOM 676 N ALA A 46 10.418 0.385 2.829 1.00 0.00 N ATOM 677 CA ALA A 46 11.462 1.332 3.180 1.00 0.00 C ATOM 678 C ALA A 46 11.314 2.589 2.321 1.00 0.00 C ATOM 679 O ALA A 46 11.415 3.706 2.827 1.00 0.00 O ATOM 680 CB ALA A 46 12.831 0.668 3.012 1.00 0.00 C ATOM 0 H ALA A 46 10.724 -0.586 2.774 1.00 0.00 H new ATOM 0 HA ALA A 46 11.372 1.634 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.615 1.378 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.896 -0.202 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.959 0.355 1.976 1.00 0.00 H new ATOM 686 N LEU A 47 11.078 2.366 1.037 1.00 0.00 N ATOM 687 CA LEU A 47 10.916 3.467 0.103 1.00 0.00 C ATOM 688 C LEU A 47 9.579 4.162 0.369 1.00 0.00 C ATOM 689 O LEU A 47 9.530 5.380 0.534 1.00 0.00 O ATOM 690 CB LEU A 47 11.078 2.977 -1.337 1.00 0.00 C ATOM 691 CG LEU A 47 11.406 4.049 -2.378 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.598 3.429 -3.763 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.342 5.149 -2.385 1.00 0.00 C ATOM 0 H LEU A 47 10.995 1.438 0.621 1.00 0.00 H new ATOM 0 HA LEU A 47 11.699 4.211 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.867 2.226 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.156 2.479 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 47 12.351 4.516 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.830 4.213 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.418 2.712 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.683 2.919 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.599 5.899 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.371 4.715 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.297 5.618 -1.402 1.00 0.00 H new ATOM 705 N LEU A 48 8.526 3.358 0.402 1.00 0.00 N ATOM 706 CA LEU A 48 7.193 3.881 0.645 1.00 0.00 C ATOM 707 C LEU A 48 7.256 4.933 1.753 1.00 0.00 C ATOM 708 O LEU A 48 6.810 6.064 1.567 1.00 0.00 O ATOM 709 CB LEU A 48 6.215 2.740 0.935 1.00 0.00 C ATOM 710 CG LEU A 48 4.833 3.154 1.444 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.156 4.121 0.469 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.964 1.928 1.731 1.00 0.00 C ATOM 0 H LEU A 48 8.570 2.348 0.264 1.00 0.00 H new ATOM 0 HA LEU A 48 6.811 4.379 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.085 2.159 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.669 2.078 1.673 1.00 0.00 H new ATOM 0 HG LEU A 48 4.962 3.685 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.175 4.399 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.770 5.015 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.040 3.638 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.987 2.251 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.840 1.348 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.445 1.311 2.490 1.00 0.00 H new ATOM 724 N ARG A 49 7.813 4.523 2.884 1.00 0.00 N ATOM 725 CA ARG A 49 7.941 5.417 4.022 1.00 0.00 C ATOM 726 C ARG A 49 8.814 6.619 3.658 1.00 0.00 C ATOM 727 O ARG A 49 8.438 7.763 3.910 1.00 0.00 O ATOM 728 CB ARG A 49 8.554 4.694 5.223 1.00 0.00 C ATOM 729 CG ARG A 49 9.016 5.693 6.286 1.00 0.00 C ATOM 730 CD ARG A 49 9.585 4.969 7.508 1.00 0.00 C ATOM 731 NE ARG A 49 10.038 5.954 8.515 1.00 0.00 N ATOM 732 CZ ARG A 49 10.604 5.627 9.685 1.00 0.00 C ATOM 733 NH1 ARG A 49 10.790 4.339 10.002 1.00 0.00 N ATOM 734 NH2 ARG A 49 10.984 6.589 10.538 1.00 0.00 N ATOM 0 H ARG A 49 8.181 3.584 3.036 1.00 0.00 H new ATOM 0 HA ARG A 49 6.941 5.759 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.822 4.011 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.399 4.089 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.774 6.353 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.178 6.321 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.826 4.317 7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.418 4.333 7.209 1.00 0.00 H new ATOM 0 HE ARG A 49 9.912 6.944 8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.501 3.607 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.221 4.090 10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.842 7.570 10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.415 6.340 11.428 1.00 0.00 H new ATOM 748 N GLU A 50 9.964 6.319 3.072 1.00 0.00 N ATOM 749 CA GLU A 50 10.893 7.361 2.671 1.00 0.00 C ATOM 750 C GLU A 50 10.183 8.400 1.801 1.00 0.00 C ATOM 751 O GLU A 50 10.325 9.602 2.023 1.00 0.00 O ATOM 752 CB GLU A 50 12.100 6.768 1.941 1.00 0.00 C ATOM 753 CG GLU A 50 13.022 6.032 2.915 1.00 0.00 C ATOM 754 CD GLU A 50 13.937 5.056 2.172 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.747 5.546 1.357 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.805 3.841 2.437 1.00 0.00 O ATOM 0 H GLU A 50 10.273 5.369 2.865 1.00 0.00 H new ATOM 0 HA GLU A 50 11.260 7.858 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.760 6.080 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.653 7.563 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.625 6.754 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.424 5.490 3.648 1.00 0.00 H new ATOM 763 N GLN A 51 9.434 7.900 0.830 1.00 0.00 N ATOM 764 CA GLN A 51 8.701 8.770 -0.074 1.00 0.00 C ATOM 765 C GLN A 51 7.553 9.459 0.666 1.00 0.00 C ATOM 766 O GLN A 51 7.249 10.621 0.403 1.00 0.00 O ATOM 767 CB GLN A 51 8.183 7.991 -1.285 1.00 0.00 C ATOM 768 CG GLN A 51 9.003 8.314 -2.536 1.00 0.00 C ATOM 769 CD GLN A 51 8.102 8.429 -3.768 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.344 9.372 -3.928 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.225 7.420 -4.625 1.00 0.00 N ATOM 0 H GLN A 51 9.319 6.903 0.649 1.00 0.00 H new ATOM 0 HA GLN A 51 9.383 9.537 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.230 6.921 -1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.135 8.237 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.545 9.248 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.748 7.535 -2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.879 6.662 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.665 7.404 -5.478 1.00 0.00 H new ATOM 780 N TRP A 52 6.947 8.713 1.578 1.00 0.00 N ATOM 781 CA TRP A 52 5.840 9.237 2.358 1.00 0.00 C ATOM 782 C TRP A 52 6.382 10.343 3.265 1.00 0.00 C ATOM 783 O TRP A 52 6.002 11.505 3.129 1.00 0.00 O ATOM 784 CB TRP A 52 5.137 8.120 3.132 1.00 0.00 C ATOM 785 CG TRP A 52 3.821 8.548 3.785 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.621 9.539 4.666 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.523 7.955 3.573 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.294 9.627 5.034 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.605 8.633 4.349 1.00 0.00 C ATOM 790 CE3 TRP A 52 2.136 6.881 2.752 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.242 8.313 4.380 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.771 6.573 2.795 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.165 7.246 3.570 1.00 0.00 C ATOM 0 H TRP A 52 7.202 7.749 1.794 1.00 0.00 H new ATOM 0 HA TRP A 52 5.078 9.664 1.706 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.941 7.290 2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.810 7.748 3.905 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.400 10.186 5.040 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.892 10.298 5.689 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.837 6.336 2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.457 8.860 4.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.421 5.755 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.203 6.947 3.548 1.00 0.00 H new ATOM 804 N ALA A 53 7.262 9.943 4.171 1.00 0.00 N ATOM 805 CA ALA A 53 7.861 10.886 5.101 1.00 0.00 C ATOM 806 C ALA A 53 8.637 11.946 4.316 1.00 0.00 C ATOM 807 O ALA A 53 8.404 13.142 4.485 1.00 0.00 O ATOM 808 CB ALA A 53 8.747 10.131 6.094 1.00 0.00 C ATOM 0 H ALA A 53 7.575 8.978 4.281 1.00 0.00 H new ATOM 0 HA ALA A 53 7.091 11.400 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.196 10.838 6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.143 9.411 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.534 9.605 5.553 1.00 0.00 H new ATOM 814 N GLY A 54 9.543 11.469 3.476 1.00 0.00 N ATOM 815 CA GLY A 54 10.355 12.360 2.665 1.00 0.00 C ATOM 816 C GLY A 54 9.541 13.568 2.197 1.00 0.00 C ATOM 817 O GLY A 54 10.059 14.682 2.131 1.00 0.00 O ATOM 0 H GLY A 54 9.733 10.476 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.216 12.698 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.741 11.820 1.801 1.00 0.00 H new ATOM 821 N GLY A 55 8.281 13.307 1.883 1.00 0.00 N ATOM 822 CA GLY A 55 7.390 14.359 1.423 1.00 0.00 C ATOM 823 C GLY A 55 7.300 14.372 -0.104 1.00 0.00 C ATOM 824 O GLY A 55 7.016 15.408 -0.704 1.00 0.00 O ATOM 0 H GLY A 55 7.855 12.382 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.397 14.211 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.748 15.325 1.778 1.00 0.00 H new ATOM 828 N LYS A 56 7.547 13.209 -0.689 1.00 0.00 N ATOM 829 CA LYS A 56 7.497 13.074 -2.135 1.00 0.00 C ATOM 830 C LYS A 56 6.107 12.589 -2.550 1.00 0.00 C ATOM 831 O LYS A 56 5.683 12.805 -3.684 1.00 0.00 O ATOM 832 CB LYS A 56 8.634 12.176 -2.629 1.00 0.00 C ATOM 833 CG LYS A 56 9.946 12.957 -2.726 1.00 0.00 C ATOM 834 CD LYS A 56 10.580 12.795 -4.109 1.00 0.00 C ATOM 835 CE LYS A 56 11.950 13.474 -4.168 1.00 0.00 C ATOM 836 NZ LYS A 56 12.079 14.272 -5.408 1.00 0.00 N ATOM 0 H LYS A 56 7.782 12.352 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 56 7.654 14.041 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.758 11.333 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.379 11.764 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.760 14.013 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.639 12.607 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.685 11.736 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.924 13.225 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.081 14.118 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.738 12.722 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.014 14.726 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.975 13.649 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.339 15.002 -5.429 1.00 0.00 H new ATOM 850 N LEU A 57 5.435 11.943 -1.608 1.00 0.00 N ATOM 851 CA LEU A 57 4.101 11.426 -1.862 1.00 0.00 C ATOM 852 C LEU A 57 3.114 12.592 -1.942 1.00 0.00 C ATOM 853 O LEU A 57 3.383 13.675 -1.425 1.00 0.00 O ATOM 854 CB LEU A 57 3.727 10.374 -0.815 1.00 0.00 C ATOM 855 CG LEU A 57 4.480 9.045 -0.901 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.881 8.013 0.056 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.526 8.532 -2.341 1.00 0.00 C ATOM 0 H LEU A 57 5.789 11.766 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 57 4.067 10.913 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.893 10.800 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.660 10.170 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 57 5.510 9.216 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.435 7.077 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.945 8.385 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.836 7.840 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.067 7.586 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.510 8.382 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.034 9.262 -2.971 1.00 0.00 H new ATOM 869 N SER A 58 1.991 12.330 -2.595 1.00 0.00 N ATOM 870 CA SER A 58 0.962 13.344 -2.750 1.00 0.00 C ATOM 871 C SER A 58 -0.114 13.167 -1.677 1.00 0.00 C ATOM 872 O SER A 58 -0.290 12.072 -1.144 1.00 0.00 O ATOM 873 CB SER A 58 0.335 13.284 -4.145 1.00 0.00 C ATOM 874 OG SER A 58 -0.706 12.314 -4.221 1.00 0.00 O ATOM 0 H SER A 58 1.771 11.430 -3.023 1.00 0.00 H new ATOM 0 HA SER A 58 1.427 14.323 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.063 14.264 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.105 13.047 -4.879 1.00 0.00 H new ATOM 0 HG SER A 58 -1.432 12.656 -4.784 1.00 0.00 H new ATOM 880 N ILE A 59 -0.805 14.260 -1.391 1.00 0.00 N ATOM 881 CA ILE A 59 -1.859 14.239 -0.390 1.00 0.00 C ATOM 882 C ILE A 59 -2.936 13.237 -0.811 1.00 0.00 C ATOM 883 O ILE A 59 -3.404 12.445 0.005 1.00 0.00 O ATOM 884 CB ILE A 59 -2.395 15.651 -0.147 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.430 16.462 0.721 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.803 15.608 0.449 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.295 17.894 0.200 1.00 0.00 C ATOM 0 H ILE A 59 -0.656 15.166 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.467 13.902 0.569 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.468 16.159 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.787 16.478 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.452 15.981 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.160 16.625 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.474 15.093 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.780 15.075 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.604 18.448 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.914 17.875 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.271 18.380 0.215 1.00 0.00 H new ATOM 899 N PRO A 60 -3.307 13.306 -2.118 1.00 0.00 N ATOM 900 CA PRO A 60 -4.319 12.415 -2.657 1.00 0.00 C ATOM 901 C PRO A 60 -3.759 11.005 -2.855 1.00 0.00 C ATOM 902 O PRO A 60 -4.486 10.094 -3.249 1.00 0.00 O ATOM 903 CB PRO A 60 -4.764 13.065 -3.957 1.00 0.00 C ATOM 904 CG PRO A 60 -3.665 14.046 -4.330 1.00 0.00 C ATOM 905 CD PRO A 60 -2.773 14.232 -3.113 1.00 0.00 C ATOM 0 HA PRO A 60 -5.165 12.284 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.903 12.319 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.718 13.577 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.086 13.669 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.093 15.000 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.732 14.006 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.803 15.261 -2.753 1.00 0.00 H new ATOM 913 N VAL A 61 -2.472 10.869 -2.573 1.00 0.00 N ATOM 914 CA VAL A 61 -1.806 9.585 -2.715 1.00 0.00 C ATOM 915 C VAL A 61 -1.864 8.835 -1.382 1.00 0.00 C ATOM 916 O VAL A 61 -1.735 7.613 -1.348 1.00 0.00 O ATOM 917 CB VAL A 61 -0.378 9.790 -3.224 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.561 8.717 -2.669 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.339 9.815 -4.753 1.00 0.00 C ATOM 0 H VAL A 61 -1.872 11.627 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.316 8.970 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.030 10.758 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.570 8.886 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.568 8.767 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.216 7.733 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.688 9.962 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.716 8.869 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.961 10.632 -5.120 1.00 0.00 H new ATOM 929 N LYS A 62 -2.060 9.599 -0.318 1.00 0.00 N ATOM 930 CA LYS A 62 -2.137 9.022 1.014 1.00 0.00 C ATOM 931 C LYS A 62 -3.599 8.731 1.355 1.00 0.00 C ATOM 932 O LYS A 62 -3.912 7.682 1.917 1.00 0.00 O ATOM 933 CB LYS A 62 -1.436 9.926 2.030 1.00 0.00 C ATOM 934 CG LYS A 62 -0.109 10.448 1.477 1.00 0.00 C ATOM 935 CD LYS A 62 0.269 11.782 2.125 1.00 0.00 C ATOM 936 CE LYS A 62 1.503 12.387 1.455 1.00 0.00 C ATOM 937 NZ LYS A 62 1.357 13.854 1.328 1.00 0.00 N ATOM 0 H LYS A 62 -2.168 10.613 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.606 8.071 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.084 10.765 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.257 9.372 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.678 9.716 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.185 10.573 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.567 12.477 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.464 11.632 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.393 12.153 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.644 11.943 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.349 14.116 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.465 14.154 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.154 14.325 1.802 1.00 0.00 H new ATOM 951 N LYS A 63 -4.456 9.677 1.001 1.00 0.00 N ATOM 952 CA LYS A 63 -5.878 9.535 1.263 1.00 0.00 C ATOM 953 C LYS A 63 -6.411 8.313 0.513 1.00 0.00 C ATOM 954 O LYS A 63 -7.290 7.610 1.009 1.00 0.00 O ATOM 955 CB LYS A 63 -6.617 10.832 0.927 1.00 0.00 C ATOM 956 CG LYS A 63 -6.929 11.630 2.195 1.00 0.00 C ATOM 957 CD LYS A 63 -5.945 12.787 2.371 1.00 0.00 C ATOM 958 CE LYS A 63 -4.578 12.278 2.833 1.00 0.00 C ATOM 959 NZ LYS A 63 -3.765 13.392 3.373 1.00 0.00 N ATOM 0 H LYS A 63 -4.193 10.545 0.535 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.054 9.360 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.010 11.436 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.543 10.601 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.946 12.018 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.882 10.973 3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.838 13.324 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.338 13.496 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.708 11.511 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.056 11.811 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.900 13.497 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.315 14.274 3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.509 13.188 4.360 1.00 0.00 H new ATOM 973 N ARG A 64 -5.856 8.096 -0.671 1.00 0.00 N ATOM 974 CA ARG A 64 -6.264 6.971 -1.494 1.00 0.00 C ATOM 975 C ARG A 64 -5.732 5.662 -0.906 1.00 0.00 C ATOM 976 O ARG A 64 -6.462 4.677 -0.814 1.00 0.00 O ATOM 977 CB ARG A 64 -5.753 7.123 -2.928 1.00 0.00 C ATOM 978 CG ARG A 64 -6.916 7.214 -3.918 1.00 0.00 C ATOM 979 CD ARG A 64 -6.521 8.023 -5.155 1.00 0.00 C ATOM 980 NE ARG A 64 -7.687 8.175 -6.054 1.00 0.00 N ATOM 981 CZ ARG A 64 -7.745 9.051 -7.066 1.00 0.00 C ATOM 982 NH1 ARG A 64 -6.705 9.858 -7.316 1.00 0.00 N ATOM 983 NH2 ARG A 64 -8.845 9.120 -7.830 1.00 0.00 N ATOM 0 H ARG A 64 -5.127 8.681 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.354 6.950 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.135 8.017 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.119 6.274 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.223 6.212 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.775 7.679 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.152 9.004 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.708 7.524 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.497 7.576 -5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.868 9.806 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.750 10.524 -8.087 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.637 8.506 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.890 9.787 -8.601 1.00 0.00 H new ATOM 997 N MET A 65 -4.463 5.696 -0.524 1.00 0.00 N ATOM 998 CA MET A 65 -3.825 4.525 0.052 1.00 0.00 C ATOM 999 C MET A 65 -4.626 3.993 1.242 1.00 0.00 C ATOM 1000 O MET A 65 -5.055 2.840 1.240 1.00 0.00 O ATOM 1001 CB MET A 65 -2.411 4.888 0.510 1.00 0.00 C ATOM 1002 CG MET A 65 -1.371 4.455 -0.525 1.00 0.00 C ATOM 1003 SD MET A 65 -1.402 2.681 -0.718 1.00 0.00 S ATOM 1004 CE MET A 65 -0.819 2.184 0.895 1.00 0.00 C ATOM 0 H MET A 65 -3.861 6.515 -0.602 1.00 0.00 H new ATOM 0 HA MET A 65 -3.782 3.746 -0.710 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.342 5.964 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.200 4.408 1.466 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.575 4.937 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.378 4.777 -0.212 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.743 1.097 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.162 2.623 1.079 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.519 2.528 1.657 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.804 4.858 2.229 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.546 4.490 3.423 1.00 0.00 C ATOM 1016 C ALA A 66 -6.750 3.633 3.025 1.00 0.00 C ATOM 1017 O ALA A 66 -7.098 2.683 3.724 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.956 5.755 4.180 1.00 0.00 C ATOM 0 H ALA A 66 -4.447 5.813 2.227 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.925 3.896 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.513 5.479 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.064 6.314 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.583 6.375 3.540 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.353 4.001 1.904 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.511 3.278 1.405 1.00 0.00 C ATOM 1026 C LEU A 67 -8.148 1.802 1.230 1.00 0.00 C ATOM 1027 O LEU A 67 -8.702 0.938 1.908 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.045 3.935 0.131 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.137 5.462 0.152 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.011 5.975 -0.994 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.624 5.963 1.513 1.00 0.00 C ATOM 0 H LEU A 67 -7.062 4.790 1.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.328 3.323 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.406 3.641 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.038 3.534 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.136 5.866 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.059 7.063 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.581 5.664 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.016 5.563 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.680 7.051 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.611 5.551 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.928 5.644 2.289 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.220 1.558 0.317 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.777 0.201 0.044 1.00 0.00 C ATOM 1045 C LEU A 68 -6.431 -0.493 1.363 1.00 0.00 C ATOM 1046 O LEU A 68 -6.775 -1.657 1.565 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.629 0.205 -0.968 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.576 -0.891 -0.792 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.864 -1.183 -2.114 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.591 -0.532 0.322 1.00 0.00 C ATOM 0 H LEU A 68 -6.762 2.277 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.578 -0.375 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.053 0.117 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.130 1.173 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.083 -1.807 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.121 -1.965 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.592 -1.514 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.371 -0.278 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.853 -1.328 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.085 0.401 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.131 -0.413 1.261 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.756 0.251 2.227 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.360 -0.279 3.521 1.00 0.00 C ATOM 1064 C VAL A 69 -6.611 -0.657 4.316 1.00 0.00 C ATOM 1065 O VAL A 69 -6.757 -1.801 4.745 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.470 0.730 4.249 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.222 0.298 5.696 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.150 0.936 3.504 1.00 0.00 C ATOM 0 H VAL A 69 -5.473 1.216 2.057 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.767 -1.185 3.398 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.995 1.685 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.587 1.032 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.174 0.227 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.729 -0.674 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.537 1.658 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.618 -0.013 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.353 1.310 2.501 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.482 0.326 4.490 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.716 0.111 5.227 1.00 0.00 C ATOM 1080 C GLN A 70 -9.385 -1.188 4.774 1.00 0.00 C ATOM 1081 O GLN A 70 -9.954 -1.914 5.588 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.665 1.301 5.067 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.137 2.527 5.814 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.618 2.535 7.266 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.774 2.281 7.565 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.671 2.840 8.149 1.00 0.00 N ATOM 0 H GLN A 70 -7.358 1.274 4.133 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.473 0.022 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.782 1.538 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.652 1.037 5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.047 2.531 5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.471 3.435 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.723 3.042 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.893 2.872 9.144 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.294 -1.442 3.477 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.884 -2.642 2.907 1.00 0.00 C ATOM 1097 C GLU A 71 -9.110 -3.881 3.361 1.00 0.00 C ATOM 1098 O GLU A 71 -9.701 -4.839 3.857 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.933 -2.555 1.380 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.607 -1.259 0.926 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.126 -1.428 0.851 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.656 -2.179 1.698 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.723 -0.801 -0.051 1.00 0.00 O ATOM 0 H GLU A 71 -8.821 -0.838 2.805 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.909 -2.726 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.921 -2.604 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.477 -3.411 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.361 -0.455 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.221 -0.967 -0.051 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.799 -3.822 3.175 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.939 -4.928 3.559 1.00 0.00 C ATOM 1112 C LEU A 72 -7.217 -5.302 5.017 1.00 0.00 C ATOM 1113 O LEU A 72 -6.992 -6.441 5.422 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.473 -4.588 3.280 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.527 -5.780 3.124 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.551 -5.557 1.966 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.800 -6.079 4.436 1.00 0.00 C ATOM 0 H LEU A 72 -7.312 -3.026 2.764 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.159 -5.809 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.426 -3.990 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.105 -3.961 4.092 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.123 -6.659 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.890 -6.419 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.110 -5.430 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.958 -4.663 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.134 -6.931 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.217 -5.208 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.530 -6.312 5.211 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.701 -4.321 5.764 1.00 0.00 N ATOM 1130 CA LEU A 73 -8.012 -4.533 7.168 1.00 0.00 C ATOM 1131 C LEU A 73 -9.257 -5.415 7.282 1.00 0.00 C ATOM 1132 O LEU A 73 -9.278 -6.367 8.061 1.00 0.00 O ATOM 1133 CB LEU A 73 -8.138 -3.194 7.897 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.841 -2.402 8.074 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -7.133 -0.949 8.454 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.915 -3.084 9.084 1.00 0.00 C ATOM 0 H LEU A 73 -7.886 -3.377 5.424 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.198 -5.063 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.849 -2.572 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.565 -3.378 8.883 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.318 -2.386 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.194 -0.408 8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.724 -0.479 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.689 -0.923 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.001 -2.501 9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.417 -3.152 10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.667 -4.085 8.732 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.264 -5.067 6.495 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.509 -5.815 6.498 1.00 0.00 C ATOM 1150 C HIS A 74 -11.340 -7.099 5.682 1.00 0.00 C ATOM 1151 O HIS A 74 -12.266 -7.901 5.580 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.667 -4.946 6.002 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.162 -3.944 7.017 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.488 -3.559 7.106 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.495 -3.254 7.987 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.602 -2.676 8.087 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.366 -2.488 8.631 1.00 0.00 N ATOM 0 H HIS A 74 -10.243 -4.277 5.851 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.760 -6.105 7.518 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.350 -4.413 5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.495 -5.593 5.712 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.437 -3.320 8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.514 -2.190 8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.147 -1.862 9.406 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.149 -7.252 5.122 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.846 -8.424 4.318 1.00 0.00 C ATOM 1167 C HIS A 75 -10.237 -8.163 2.862 1.00 0.00 C ATOM 1168 O HIS A 75 -9.948 -8.973 1.983 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.518 -9.670 4.898 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.512 -9.724 6.407 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.519 -10.329 7.140 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.612 -9.245 7.313 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.228 -10.212 8.427 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -10.045 -9.540 8.532 1.00 0.00 N ATOM 0 H HIS A 75 -9.383 -6.584 5.209 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.773 -8.617 4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.549 -9.711 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.014 -10.556 4.511 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.701 -8.715 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.822 -10.583 9.249 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.572 -9.303 9.404 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.888 -7.028 2.652 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.321 -6.650 1.318 1.00 0.00 C ATOM 1184 C GLN A 76 -10.111 -6.455 0.402 1.00 0.00 C ATOM 1185 O GLN A 76 -9.653 -5.330 0.203 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.186 -5.389 1.359 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.560 -5.686 1.965 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.554 -6.115 0.885 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.408 -7.142 0.242 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.572 -5.275 0.722 1.00 0.00 N ATOM 0 H GLN A 76 -11.126 -6.358 3.384 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.932 -7.457 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.685 -4.619 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.307 -4.994 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.469 -6.473 2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.935 -4.800 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.634 -4.432 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.290 -5.473 0.026 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.627 -7.567 -0.132 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.479 -7.532 -1.022 1.00 0.00 C ATOM 1201 C TRP A 77 -8.955 -7.033 -2.387 1.00 0.00 C ATOM 1202 O TRP A 77 -8.234 -6.310 -3.074 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.797 -8.900 -1.090 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.069 -9.792 0.122 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.981 -10.767 0.242 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.382 -9.753 1.391 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.932 -11.356 1.489 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.929 -10.719 2.210 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.332 -8.927 1.832 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.492 -10.952 3.519 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.907 -9.172 3.143 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.447 -10.141 3.980 1.00 0.00 C ATOM 0 H TRP A 77 -10.009 -8.498 0.035 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.720 -6.846 -0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.130 -9.416 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.721 -8.754 -1.186 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.668 -11.056 -0.540 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.523 -12.118 1.820 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.889 -8.164 1.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.936 -11.716 4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.103 -8.565 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.063 -10.268 4.981 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.166 -7.437 -2.741 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.746 -7.040 -4.013 1.00 0.00 C ATOM 1225 C ASP A 78 -10.799 -5.513 -4.089 1.00 0.00 C ATOM 1226 O ASP A 78 -10.637 -4.935 -5.163 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.174 -7.570 -4.156 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.292 -9.093 -4.249 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.391 -9.721 -3.173 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -12.281 -9.594 -5.394 1.00 0.00 O ATOM 0 H ASP A 78 -10.762 -8.035 -2.169 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.127 -7.452 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.760 -7.227 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.621 -7.131 -5.048 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.027 -4.902 -2.935 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.103 -3.453 -2.858 1.00 0.00 C ATOM 1237 C ALA A 79 -9.690 -2.869 -2.911 1.00 0.00 C ATOM 1238 O ALA A 79 -9.420 -1.958 -3.693 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.854 -3.048 -1.587 1.00 0.00 C ATOM 0 H ALA A 79 -11.161 -5.384 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.658 -3.052 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.911 -1.961 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.861 -3.464 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.325 -3.431 -0.714 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.826 -3.415 -2.069 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.447 -2.960 -2.010 1.00 0.00 C ATOM 1247 C ALA A 80 -6.902 -2.814 -3.432 1.00 0.00 C ATOM 1248 O ALA A 80 -6.319 -1.786 -3.775 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.623 -3.934 -1.167 1.00 0.00 C ATOM 0 H ALA A 80 -9.054 -4.169 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.386 -1.983 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.589 -3.592 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.033 -3.979 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.659 -4.926 -1.618 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.111 -3.857 -4.222 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.647 -3.858 -5.599 1.00 0.00 C ATOM 1257 C ASP A 81 -7.361 -2.748 -6.373 1.00 0.00 C ATOM 1258 O ASP A 81 -6.733 -2.013 -7.133 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.960 -5.189 -6.285 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.666 -5.228 -7.786 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -7.208 -4.352 -8.493 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.906 -6.134 -8.192 1.00 0.00 O ATOM 0 H ASP A 81 -7.596 -4.707 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.568 -3.701 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.385 -5.976 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.014 -5.421 -6.130 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.665 -2.662 -6.154 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.472 -1.654 -6.822 1.00 0.00 C ATOM 1269 C ASP A 82 -8.816 -0.283 -6.646 1.00 0.00 C ATOM 1270 O ASP A 82 -8.531 0.403 -7.626 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.877 -1.587 -6.221 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.008 -1.423 -7.239 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.677 -1.258 -8.433 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.177 -1.467 -6.799 1.00 0.00 O ATOM 0 H ASP A 82 -9.183 -3.274 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.543 -1.923 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.054 -2.496 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.916 -0.754 -5.519 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.595 0.075 -5.389 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.978 1.351 -5.072 1.00 0.00 C ATOM 1281 C ILE A 83 -6.550 1.373 -5.620 1.00 0.00 C ATOM 1282 O ILE A 83 -6.144 2.336 -6.268 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.065 1.630 -3.570 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.522 1.689 -3.107 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.294 2.900 -3.203 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.702 0.964 -1.771 1.00 0.00 C ATOM 0 H ILE A 83 -8.833 -0.497 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.518 2.165 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.593 0.803 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.833 2.729 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.166 1.235 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.372 3.076 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.246 2.781 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.715 3.749 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.746 1.021 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.413 -0.081 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.075 1.435 -1.014 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.826 0.299 -5.339 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.452 0.182 -5.796 1.00 0.00 C ATOM 1300 C HIS A 84 -4.374 0.530 -7.284 1.00 0.00 C ATOM 1301 O HIS A 84 -3.422 1.171 -7.727 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.891 -1.206 -5.482 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.993 -1.764 -6.560 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.100 -3.063 -7.027 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -1.973 -1.187 -7.258 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.180 -3.248 -7.962 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.483 -2.085 -8.104 1.00 0.00 N ATOM 0 H HIS A 84 -6.166 -0.498 -4.800 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.825 0.894 -5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.333 -1.158 -4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.721 -1.894 -5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.623 -0.172 -7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.012 -4.160 -8.515 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.712 -1.930 -8.753 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.388 0.091 -8.015 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.447 0.348 -9.444 1.00 0.00 C ATOM 1317 C ARG A 85 -5.648 1.842 -9.707 1.00 0.00 C ATOM 1318 O ARG A 85 -4.855 2.463 -10.413 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.586 -0.436 -10.098 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.278 -1.935 -10.122 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.397 -2.294 -11.320 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.859 -3.664 -11.159 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.548 -4.779 -11.437 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -6.806 -4.693 -11.890 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -4.980 -5.979 -11.261 1.00 0.00 N ATOM 0 H ARG A 85 -6.175 -0.441 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.502 0.023 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.513 -0.260 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.742 -0.077 -11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.776 -2.222 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.209 -2.501 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.976 -2.228 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.578 -1.580 -11.407 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.904 -3.765 -10.815 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.239 -3.779 -12.023 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.331 -5.542 -12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.023 -6.044 -10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.505 -6.828 -11.473 1.00 0.00 H new ATOM 1339 N SER A 86 -6.713 2.374 -9.126 1.00 0.00 N ATOM 1340 CA SER A 86 -7.028 3.783 -9.288 1.00 0.00 C ATOM 1341 C SER A 86 -5.770 4.629 -9.077 1.00 0.00 C ATOM 1342 O SER A 86 -5.598 5.663 -9.719 1.00 0.00 O ATOM 1343 CB SER A 86 -8.128 4.217 -8.318 1.00 0.00 C ATOM 1344 OG SER A 86 -7.626 4.433 -7.003 1.00 0.00 O ATOM 0 H SER A 86 -7.369 1.855 -8.542 1.00 0.00 H new ATOM 0 HA SER A 86 -7.395 3.936 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.593 5.133 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.906 3.454 -8.288 1.00 0.00 H new ATOM 0 HG SER A 86 -7.306 3.584 -6.631 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.924 4.157 -8.173 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.687 4.856 -7.869 1.00 0.00 C ATOM 1352 C LEU A 87 -2.705 4.675 -9.028 1.00 0.00 C ATOM 1353 O LEU A 87 -2.000 5.612 -9.401 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.133 4.402 -6.517 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.410 5.330 -5.333 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.015 4.666 -4.012 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.722 6.683 -5.523 1.00 0.00 C ATOM 0 H LEU A 87 -5.071 3.299 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.869 5.926 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.547 3.420 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.054 4.279 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.483 5.518 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.222 5.347 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.590 3.749 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.951 4.428 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.935 7.323 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.645 6.535 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.094 7.156 -6.432 1.00 0.00 H new ATOM 1369 N MET A 88 -2.691 3.465 -9.566 1.00 0.00 N ATOM 1370 CA MET A 88 -1.807 3.149 -10.676 1.00 0.00 C ATOM 1371 C MET A 88 -2.243 3.879 -11.948 1.00 0.00 C ATOM 1372 O MET A 88 -1.530 3.865 -12.951 1.00 0.00 O ATOM 1373 CB MET A 88 -1.818 1.639 -10.924 1.00 0.00 C ATOM 1374 CG MET A 88 -1.064 0.897 -9.819 1.00 0.00 C ATOM 1375 SD MET A 88 0.638 1.433 -9.775 1.00 0.00 S ATOM 1376 CE MET A 88 1.250 0.643 -11.254 1.00 0.00 C ATOM 0 H MET A 88 -3.278 2.691 -9.254 1.00 0.00 H new ATOM 0 HA MET A 88 -0.800 3.476 -10.419 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.847 1.282 -10.970 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.361 1.422 -11.890 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.538 1.084 -8.855 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.111 -0.178 -9.994 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.298 0.904 -11.399 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.156 -0.438 -11.154 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.670 0.980 -12.113 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.410 4.499 -11.866 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.949 5.233 -12.999 1.00 0.00 C ATOM 1388 C VAL A 89 -3.254 6.593 -13.097 1.00 0.00 C ATOM 1389 O VAL A 89 -2.598 6.888 -14.095 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.470 5.347 -12.873 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.045 6.244 -13.971 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.126 3.965 -12.894 1.00 0.00 C ATOM 0 H VAL A 89 -3.998 4.509 -11.033 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.752 4.699 -13.929 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.694 5.810 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.127 6.308 -13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.612 7.241 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.806 5.823 -14.947 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.207 4.074 -12.803 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.889 3.464 -13.833 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.750 3.371 -12.061 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.421 7.384 -12.048 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.818 8.705 -12.004 1.00 0.00 C ATOM 1404 C ASP A 90 -1.488 8.629 -11.250 1.00 0.00 C ATOM 1405 O ASP A 90 -0.423 8.768 -11.849 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.721 9.699 -11.270 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.889 10.242 -12.095 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -4.777 10.193 -13.339 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.868 10.694 -11.463 1.00 0.00 O ATOM 0 H ASP A 90 -3.965 7.136 -11.222 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.670 9.042 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.120 9.215 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.113 10.538 -10.932 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.594 8.409 -9.948 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.414 8.313 -9.107 1.00 0.00 C ATOM 1416 C HIS A 91 0.275 6.967 -9.340 1.00 0.00 C ATOM 1417 O HIS A 91 0.394 6.159 -8.421 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.773 8.548 -7.638 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.710 9.711 -7.414 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.271 11.020 -7.315 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.066 9.748 -7.270 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.323 11.801 -7.121 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.435 11.011 -7.093 1.00 0.00 N ATOM 0 H HIS A 91 -2.480 8.294 -9.455 1.00 0.00 H new ATOM 0 HA HIS A 91 0.294 9.096 -9.378 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.230 7.644 -7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.144 8.719 -7.073 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.302 11.331 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.727 8.895 -7.296 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.304 12.875 -7.005 1.00 0.00 H new ATOM 1431 N VAL A 92 0.709 6.767 -10.576 1.00 0.00 N ATOM 1432 CA VAL A 92 1.383 5.533 -10.942 1.00 0.00 C ATOM 1433 C VAL A 92 2.884 5.680 -10.685 1.00 0.00 C ATOM 1434 O VAL A 92 3.495 4.825 -10.047 1.00 0.00 O ATOM 1435 CB VAL A 92 1.057 5.170 -12.392 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.866 6.028 -13.367 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.290 3.680 -12.650 1.00 0.00 C ATOM 0 H VAL A 92 0.607 7.439 -11.337 1.00 0.00 H new ATOM 0 HA VAL A 92 1.028 4.707 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 92 0.000 5.378 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.615 5.750 -14.391 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.629 7.080 -13.209 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.930 5.866 -13.197 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.051 3.449 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.334 3.436 -12.455 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.651 3.092 -11.991 1.00 0.00 H new ATOM 1447 N THR A 93 3.435 6.772 -11.196 1.00 0.00 N ATOM 1448 CA THR A 93 4.853 7.043 -11.029 1.00 0.00 C ATOM 1449 C THR A 93 5.161 7.396 -9.573 1.00 0.00 C ATOM 1450 O THR A 93 6.325 7.482 -9.185 1.00 0.00 O ATOM 1451 CB THR A 93 5.243 8.144 -12.017 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.700 7.434 -13.166 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.468 8.936 -11.557 1.00 0.00 C ATOM 0 H THR A 93 2.925 7.479 -11.726 1.00 0.00 H new ATOM 0 HA THR A 93 5.453 6.160 -11.250 1.00 0.00 H new ATOM 0 HB THR A 93 4.402 8.823 -12.154 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.972 8.072 -13.858 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.702 9.704 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.258 9.406 -10.596 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.319 8.262 -11.452 1.00 0.00 H new ATOM 1461 N GLU A 94 4.098 7.590 -8.807 1.00 0.00 N ATOM 1462 CA GLU A 94 4.241 7.931 -7.402 1.00 0.00 C ATOM 1463 C GLU A 94 4.305 6.662 -6.551 1.00 0.00 C ATOM 1464 O GLU A 94 5.285 6.433 -5.843 1.00 0.00 O ATOM 1465 CB GLU A 94 3.102 8.843 -6.941 1.00 0.00 C ATOM 1466 CG GLU A 94 3.410 10.308 -7.257 1.00 0.00 C ATOM 1467 CD GLU A 94 2.573 11.245 -6.384 1.00 0.00 C ATOM 1468 OE1 GLU A 94 2.673 11.108 -5.146 1.00 0.00 O ATOM 1469 OE2 GLU A 94 1.852 12.078 -6.975 1.00 0.00 O ATOM 0 H GLU A 94 3.134 7.518 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 94 5.175 8.478 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.174 8.549 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.947 8.723 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.470 10.504 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.207 10.507 -8.309 1.00 0.00 H new ATOM 1476 N VAL A 95 3.248 5.868 -6.647 1.00 0.00 N ATOM 1477 CA VAL A 95 3.173 4.627 -5.895 1.00 0.00 C ATOM 1478 C VAL A 95 4.258 3.669 -6.390 1.00 0.00 C ATOM 1479 O VAL A 95 4.790 2.875 -5.616 1.00 0.00 O ATOM 1480 CB VAL A 95 1.764 4.039 -5.997 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.707 5.079 -5.619 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.504 3.476 -7.396 1.00 0.00 C ATOM 0 H VAL A 95 2.437 6.060 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 95 3.359 4.809 -4.837 1.00 0.00 H new ATOM 0 HB VAL A 95 1.693 3.216 -5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.285 4.635 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.873 5.411 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.779 5.932 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.496 3.064 -7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.604 4.273 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.227 2.689 -7.612 1.00 0.00 H new ATOM 1492 N SER A 96 4.553 3.774 -7.678 1.00 0.00 N ATOM 1493 CA SER A 96 5.565 2.927 -8.285 1.00 0.00 C ATOM 1494 C SER A 96 6.854 2.978 -7.461 1.00 0.00 C ATOM 1495 O SER A 96 6.980 3.794 -6.550 1.00 0.00 O ATOM 1496 CB SER A 96 5.842 3.348 -9.730 1.00 0.00 C ATOM 1497 OG SER A 96 6.251 4.710 -9.820 1.00 0.00 O ATOM 0 H SER A 96 4.109 4.433 -8.317 1.00 0.00 H new ATOM 0 HA SER A 96 5.190 1.904 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.617 2.708 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.944 3.199 -10.330 1.00 0.00 H new ATOM 0 HG SER A 96 6.923 4.804 -10.527 1.00 0.00 H new ATOM 1503 N GLN A 97 7.778 2.096 -7.812 1.00 0.00 N ATOM 1504 CA GLN A 97 9.052 2.030 -7.117 1.00 0.00 C ATOM 1505 C GLN A 97 8.886 1.322 -5.771 1.00 0.00 C ATOM 1506 O GLN A 97 9.853 1.159 -5.027 1.00 0.00 O ATOM 1507 CB GLN A 97 9.648 3.427 -6.931 1.00 0.00 C ATOM 1508 CG GLN A 97 11.026 3.526 -7.589 1.00 0.00 C ATOM 1509 CD GLN A 97 11.861 4.636 -6.947 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.609 5.817 -7.120 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.867 4.192 -6.198 1.00 0.00 N ATOM 0 H GLN A 97 7.670 1.421 -8.569 1.00 0.00 H new ATOM 0 HA GLN A 97 9.747 1.452 -7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.980 4.172 -7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.731 3.652 -5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.547 2.573 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.911 3.723 -8.655 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.022 3.189 -6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.483 4.854 -5.727 1.00 0.00 H new ATOM 1520 N TRP A 98 7.653 0.919 -5.498 1.00 0.00 N ATOM 1521 CA TRP A 98 7.349 0.232 -4.254 1.00 0.00 C ATOM 1522 C TRP A 98 5.975 -0.426 -4.402 1.00 0.00 C ATOM 1523 O TRP A 98 5.791 -1.579 -4.016 1.00 0.00 O ATOM 1524 CB TRP A 98 7.427 1.191 -3.064 1.00 0.00 C ATOM 1525 CG TRP A 98 6.462 2.375 -3.154 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.700 3.599 -3.645 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.086 2.397 -2.719 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.583 4.405 -3.559 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.570 3.651 -2.978 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.303 1.391 -2.127 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.252 4.015 -2.677 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.988 1.770 -1.832 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.454 3.028 -2.086 1.00 0.00 C ATOM 0 H TRP A 98 6.854 1.055 -6.117 1.00 0.00 H new ATOM 0 HA TRP A 98 8.088 -0.544 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.220 0.636 -2.149 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.445 1.571 -2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.647 3.915 -4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.514 5.375 -3.865 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.686 0.403 -1.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.872 5.003 -2.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.343 1.034 -1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.427 3.243 -1.828 1.00 0.00 H new ATOM 1544 N MET A 99 5.047 0.336 -4.961 1.00 0.00 N ATOM 1545 CA MET A 99 3.696 -0.159 -5.165 1.00 0.00 C ATOM 1546 C MET A 99 3.707 -1.634 -5.571 1.00 0.00 C ATOM 1547 O MET A 99 2.772 -2.373 -5.267 1.00 0.00 O ATOM 1548 CB MET A 99 3.008 0.666 -6.255 1.00 0.00 C ATOM 1549 CG MET A 99 1.696 0.012 -6.692 1.00 0.00 C ATOM 1550 SD MET A 99 0.717 -0.409 -5.259 1.00 0.00 S ATOM 1551 CE MET A 99 -0.141 1.136 -5.005 1.00 0.00 C ATOM 0 H MET A 99 5.204 1.292 -5.279 1.00 0.00 H new ATOM 0 HA MET A 99 3.150 -0.064 -4.226 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.811 1.672 -5.885 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.672 0.766 -7.114 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.138 0.691 -7.337 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.904 -0.884 -7.277 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.155 0.936 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.389 1.728 -4.259 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.182 1.688 -5.944 1.00 0.00 H new ATOM 1561 N VAL A 100 4.777 -2.018 -6.253 1.00 0.00 N ATOM 1562 CA VAL A 100 4.922 -3.391 -6.704 1.00 0.00 C ATOM 1563 C VAL A 100 4.833 -4.332 -5.501 1.00 0.00 C ATOM 1564 O VAL A 100 4.100 -5.319 -5.533 1.00 0.00 O ATOM 1565 CB VAL A 100 6.226 -3.548 -7.490 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.262 -2.597 -8.688 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.441 -3.337 -6.585 1.00 0.00 C ATOM 0 H VAL A 100 5.551 -1.402 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 100 4.113 -3.657 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 100 6.266 -4.568 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.199 -2.729 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.426 -2.816 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.187 -1.568 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.354 -3.454 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.408 -2.334 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.428 -4.072 -5.781 1.00 0.00 H new ATOM 1577 N GLY A 101 5.589 -3.992 -4.467 1.00 0.00 N ATOM 1578 CA GLY A 101 5.604 -4.793 -3.255 1.00 0.00 C ATOM 1579 C GLY A 101 4.199 -4.921 -2.665 1.00 0.00 C ATOM 1580 O GLY A 101 3.663 -6.023 -2.560 1.00 0.00 O ATOM 0 H GLY A 101 6.196 -3.172 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.002 -5.784 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.270 -4.338 -2.522 1.00 0.00 H new ATOM 1584 N VAL A 102 3.641 -3.778 -2.294 1.00 0.00 N ATOM 1585 CA VAL A 102 2.308 -3.748 -1.717 1.00 0.00 C ATOM 1586 C VAL A 102 1.380 -4.643 -2.540 1.00 0.00 C ATOM 1587 O VAL A 102 0.641 -5.455 -1.985 1.00 0.00 O ATOM 1588 CB VAL A 102 1.813 -2.303 -1.619 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.349 -2.255 -1.177 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.697 -1.483 -0.677 1.00 0.00 C ATOM 0 H VAL A 102 4.088 -2.865 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 102 2.323 -4.143 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 102 1.879 -1.858 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.021 -1.217 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.267 -2.787 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.249 -2.726 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.323 -0.460 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.678 -1.927 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.720 -1.477 -1.052 1.00 0.00 H new ATOM 1600 N LYS A 103 1.448 -4.465 -3.851 1.00 0.00 N ATOM 1601 CA LYS A 103 0.623 -5.247 -4.757 1.00 0.00 C ATOM 1602 C LYS A 103 0.701 -6.723 -4.364 1.00 0.00 C ATOM 1603 O LYS A 103 -0.323 -7.356 -4.108 1.00 0.00 O ATOM 1604 CB LYS A 103 1.018 -4.976 -6.210 1.00 0.00 C ATOM 1605 CG LYS A 103 0.145 -5.782 -7.174 1.00 0.00 C ATOM 1606 CD LYS A 103 0.991 -6.764 -7.988 1.00 0.00 C ATOM 1607 CE LYS A 103 0.184 -8.012 -8.352 1.00 0.00 C ATOM 1608 NZ LYS A 103 0.942 -9.236 -8.011 1.00 0.00 N ATOM 0 H LYS A 103 2.062 -3.791 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.422 -4.949 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.918 -3.912 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.066 -5.234 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.614 -6.328 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.381 -5.105 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.345 -6.278 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.873 -7.051 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.767 -8.006 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.047 -8.005 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.380 -10.074 -8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.838 -9.248 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.141 -9.248 -6.990 1.00 0.00 H new ATOM 1622 N ARG A 104 1.925 -7.230 -4.329 1.00 0.00 N ATOM 1623 CA ARG A 104 2.149 -8.621 -3.971 1.00 0.00 C ATOM 1624 C ARG A 104 1.644 -8.892 -2.553 1.00 0.00 C ATOM 1625 O ARG A 104 0.899 -9.845 -2.327 1.00 0.00 O ATOM 1626 CB ARG A 104 3.634 -8.978 -4.053 1.00 0.00 C ATOM 1627 CG ARG A 104 3.860 -10.459 -3.745 1.00 0.00 C ATOM 1628 CD ARG A 104 3.358 -11.340 -4.892 1.00 0.00 C ATOM 1629 NE ARG A 104 4.415 -11.485 -5.918 1.00 0.00 N ATOM 1630 CZ ARG A 104 5.465 -12.309 -5.803 1.00 0.00 C ATOM 1631 NH1 ARG A 104 5.606 -13.067 -4.707 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.375 -12.376 -6.785 1.00 0.00 N ATOM 0 H ARG A 104 2.772 -6.703 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 104 1.599 -9.239 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.012 -8.748 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.198 -8.366 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.922 -10.642 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.343 -10.726 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.073 -12.320 -4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.466 -10.899 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 104 4.339 -10.922 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.914 -13.017 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.406 -13.694 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.268 -11.800 -7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.174 -13.003 -6.697 1.00 0.00 H new ATOM 1646 N LEU A 105 2.069 -8.037 -1.634 1.00 0.00 N ATOM 1647 CA LEU A 105 1.669 -8.173 -0.243 1.00 0.00 C ATOM 1648 C LEU A 105 0.182 -8.527 -0.177 1.00 0.00 C ATOM 1649 O LEU A 105 -0.201 -9.493 0.481 1.00 0.00 O ATOM 1650 CB LEU A 105 2.037 -6.915 0.545 1.00 0.00 C ATOM 1651 CG LEU A 105 1.899 -7.012 2.066 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.226 -6.695 2.758 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.762 -6.122 2.571 1.00 0.00 C ATOM 0 H LEU A 105 2.686 -7.248 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 105 2.213 -8.989 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.068 -6.652 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.411 -6.095 0.195 1.00 0.00 H new ATOM 0 HG LEU A 105 1.641 -8.040 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.100 -6.771 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.986 -7.404 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.539 -5.683 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.685 -6.209 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.966 -5.085 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.176 -6.436 2.114 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.616 -7.726 -0.868 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.052 -7.943 -0.896 1.00 0.00 C ATOM 1667 C ILE A 106 -2.336 -9.422 -1.169 1.00 0.00 C ATOM 1668 O ILE A 106 -2.932 -10.106 -0.340 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.718 -6.995 -1.896 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.483 -5.534 -1.506 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.207 -7.315 -2.048 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.627 -4.613 -2.720 1.00 0.00 C ATOM 0 H ILE A 106 -0.295 -6.926 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.491 -7.707 0.073 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.255 -7.147 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.196 -5.240 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.487 -5.424 -1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.656 -6.627 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.325 -8.338 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.702 -7.208 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.455 -3.580 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.897 -4.894 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.632 -4.708 -3.131 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.894 -9.871 -2.335 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.092 -11.256 -2.727 1.00 0.00 C ATOM 1686 C ALA A 107 -1.745 -12.169 -1.550 1.00 0.00 C ATOM 1687 O ALA A 107 -2.536 -13.034 -1.176 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.252 -11.560 -3.969 1.00 0.00 C ATOM 0 H ALA A 107 -1.400 -9.300 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.135 -11.436 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.400 -12.599 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.558 -10.905 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.198 -11.393 -3.745 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.561 -11.947 -0.998 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.100 -12.739 0.129 1.00 0.00 C ATOM 1696 C GLU A 108 -1.120 -12.686 1.268 1.00 0.00 C ATOM 1697 O GLU A 108 -1.713 -13.704 1.622 1.00 0.00 O ATOM 1698 CB GLU A 108 1.277 -12.268 0.603 1.00 0.00 C ATOM 1699 CG GLU A 108 2.359 -12.623 -0.418 1.00 0.00 C ATOM 1700 CD GLU A 108 2.371 -14.125 -0.706 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.030 -14.884 0.227 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.720 -14.481 -1.852 1.00 0.00 O ATOM 0 H GLU A 108 0.093 -11.229 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.001 -13.775 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.262 -11.190 0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.512 -12.728 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.185 -12.073 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.334 -12.314 -0.042 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.293 -11.490 1.810 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.231 -11.291 2.902 1.00 0.00 C ATOM 1711 C LYS A 109 -3.500 -12.101 2.631 1.00 0.00 C ATOM 1712 O LYS A 109 -3.929 -12.890 3.472 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.489 -9.799 3.122 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.275 -9.122 3.762 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.171 -9.473 5.247 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.249 -8.750 6.058 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.575 -9.514 7.283 1.00 0.00 N ATOM 0 H LYS A 109 -0.799 -10.648 1.513 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.810 -11.659 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.716 -9.321 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.362 -9.667 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.367 -9.434 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.353 -8.041 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.274 -10.550 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.184 -9.199 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.903 -7.752 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.146 -8.624 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.106 -8.907 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.153 -10.341 7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.696 -9.831 7.739 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.067 -11.879 1.454 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.278 -12.578 1.062 1.00 0.00 C ATOM 1733 C LYS A 110 -5.026 -14.087 1.099 1.00 0.00 C ATOM 1734 O LYS A 110 -5.770 -14.829 1.737 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.776 -12.071 -0.293 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.998 -12.863 -0.760 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.515 -12.334 -2.099 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.759 -13.479 -3.084 1.00 0.00 C ATOM 1739 NZ LYS A 110 -9.169 -13.926 -3.021 1.00 0.00 N ATOM 0 H LYS A 110 -3.709 -11.224 0.759 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.082 -12.371 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.030 -11.014 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.979 -12.156 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.737 -13.917 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.786 -12.798 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.441 -11.781 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.793 -11.634 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.520 -13.153 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.096 -14.313 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.317 -14.703 -3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.386 -14.256 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.796 -13.133 -3.264 1.00 0.00 H new ATOM 1753 N SER A 111 -3.973 -14.495 0.406 1.00 0.00 N ATOM 1754 CA SER A 111 -3.613 -15.902 0.351 1.00 0.00 C ATOM 1755 C SER A 111 -3.522 -16.474 1.767 1.00 0.00 C ATOM 1756 O SER A 111 -4.073 -17.538 2.047 1.00 0.00 O ATOM 1757 CB SER A 111 -2.289 -16.103 -0.389 1.00 0.00 C ATOM 1758 OG SER A 111 -1.677 -17.347 -0.060 1.00 0.00 O ATOM 0 H SER A 111 -3.358 -13.876 -0.122 1.00 0.00 H new ATOM 0 HA SER A 111 -4.390 -16.433 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.464 -16.058 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.609 -15.288 -0.143 1.00 0.00 H new ATOM 0 HG SER A 111 -0.835 -17.438 -0.554 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.822 -15.744 2.622 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.652 -16.165 4.002 1.00 0.00 C ATOM 1766 C LEU A 112 -4.002 -16.613 4.564 1.00 0.00 C ATOM 1767 O LEU A 112 -4.126 -17.721 5.085 1.00 0.00 O ATOM 1768 CB LEU A 112 -1.980 -15.061 4.821 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.559 -14.683 4.399 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.135 -13.354 5.027 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.426 -15.809 4.721 1.00 0.00 C ATOM 0 H LEU A 112 -2.366 -14.863 2.386 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.982 -17.023 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.603 -14.168 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.957 -15.374 5.865 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.549 -14.545 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.879 -13.109 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.816 -12.566 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.166 -13.439 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.429 -15.515 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.420 -16.002 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.132 -16.713 4.188 1.00 0.00 H new ATOM 1783 N SER A 113 -4.981 -15.729 4.441 1.00 0.00 N ATOM 1784 CA SER A 113 -6.318 -16.019 4.931 1.00 0.00 C ATOM 1785 C SER A 113 -6.914 -17.198 4.158 1.00 0.00 C ATOM 1786 O SER A 113 -7.353 -18.178 4.757 1.00 0.00 O ATOM 1787 CB SER A 113 -7.226 -14.793 4.812 1.00 0.00 C ATOM 1788 OG SER A 113 -8.384 -14.905 5.635 1.00 0.00 O ATOM 0 H SER A 113 -4.875 -14.811 4.009 1.00 0.00 H new ATOM 0 HA SER A 113 -6.246 -16.283 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.668 -13.900 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.530 -14.667 3.773 1.00 0.00 H new ATOM 0 HG SER A 113 -8.937 -14.103 5.532 1.00 0.00 H new ATOM 1794 N GLY A 114 -6.909 -17.063 2.840 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.444 -18.105 1.980 1.00 0.00 C ATOM 1796 C GLY A 114 -8.939 -18.309 2.230 1.00 0.00 C ATOM 1797 O GLY A 114 -9.348 -19.336 2.769 1.00 0.00 O ATOM 0 H GLY A 114 -6.543 -16.248 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.279 -17.840 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.911 -19.039 2.159 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.736 -17.287 1.816 1.00 0.00 N ATOM 1802 CA PRO A 115 -11.178 -17.345 1.990 1.00 0.00 C ATOM 1803 C PRO A 115 -11.814 -18.298 0.976 1.00 0.00 C ATOM 1804 O PRO A 115 -12.532 -17.864 0.077 1.00 0.00 O ATOM 1805 CB PRO A 115 -11.650 -15.909 1.833 1.00 0.00 C ATOM 1806 CG PRO A 115 -10.526 -15.175 1.120 1.00 0.00 C ATOM 1807 CD PRO A 115 -9.287 -16.055 1.174 1.00 0.00 C ATOM 0 HA PRO A 115 -11.470 -17.742 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.574 -15.863 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.857 -15.458 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -10.802 -14.967 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -10.333 -14.215 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -8.895 -16.249 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -8.488 -15.580 1.743 1.00 0.00 H new ATOM 1815 N SER A 116 -11.528 -19.579 1.156 1.00 0.00 N ATOM 1816 CA SER A 116 -12.064 -20.597 0.269 1.00 0.00 C ATOM 1817 C SER A 116 -13.452 -21.029 0.746 1.00 0.00 C ATOM 1818 O SER A 116 -13.853 -20.716 1.866 1.00 0.00 O ATOM 1819 CB SER A 116 -11.130 -21.806 0.189 1.00 0.00 C ATOM 1820 OG SER A 116 -11.060 -22.509 1.427 1.00 0.00 O ATOM 0 H SER A 116 -10.932 -19.935 1.903 1.00 0.00 H new ATOM 0 HA SER A 116 -12.147 -20.170 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.478 -22.482 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.132 -21.475 -0.097 1.00 0.00 H new ATOM 0 HG SER A 116 -10.455 -23.275 1.335 1.00 0.00 H new ATOM 1826 N SER A 117 -14.147 -21.743 -0.128 1.00 0.00 N ATOM 1827 CA SER A 117 -15.482 -22.222 0.191 1.00 0.00 C ATOM 1828 C SER A 117 -15.398 -23.582 0.885 1.00 0.00 C ATOM 1829 O SER A 117 -14.376 -24.262 0.804 1.00 0.00 O ATOM 1830 CB SER A 117 -16.346 -22.320 -1.068 1.00 0.00 C ATOM 1831 OG SER A 117 -16.331 -21.112 -1.823 1.00 0.00 O ATOM 0 H SER A 117 -13.811 -22.001 -1.056 1.00 0.00 H new ATOM 0 HA SER A 117 -15.951 -21.506 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.988 -23.140 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.372 -22.558 -0.786 1.00 0.00 H new ATOM 0 HG SER A 117 -16.893 -21.217 -2.619 1.00 0.00 H new ATOM 1837 N GLY A 118 -16.486 -23.939 1.552 1.00 0.00 N ATOM 1838 CA GLY A 118 -16.548 -25.206 2.260 1.00 0.00 C ATOM 1839 C GLY A 118 -17.807 -25.987 1.876 1.00 0.00 C ATOM 1840 O GLY A 118 -18.120 -26.124 0.695 1.00 0.00 O ATOM 0 H GLY A 118 -17.332 -23.372 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.663 -25.799 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.540 -25.027 3.335 1.00 0.00 H new TER 1844 GLY A 118