USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.208 (180deg=-0.984) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -179:sc= 0 (180deg=-0.00448) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.402 F(o=-1.9,f=-0.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0468 K(o=-0.047,f=-1.4!) USER MOD Single : A 35 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.71) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.0103 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0434 USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.343 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.185 F(o=-1.1,f=-0.19) USER MOD Single : A 58 MET CE :methyl -165:sc=-0.00173 (180deg=-0.587) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00764 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -160:sc= -0.797 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.61! X(o=-2.6!,f=-2.1) USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= -0.117 (180deg=-0.646) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.750 5.729 2.979 1.00 0.00 N ATOM 2 CA MET A 1 -15.662 5.688 2.009 1.00 0.00 C ATOM 3 C MET A 1 -15.189 4.255 1.785 1.00 0.00 C ATOM 4 O MET A 1 -14.776 3.573 2.723 1.00 0.00 O ATOM 5 CB MET A 1 -14.493 6.554 2.484 1.00 0.00 C ATOM 6 CG MET A 1 -13.947 6.145 3.843 1.00 0.00 C ATOM 7 SD MET A 1 -13.357 7.552 4.805 1.00 0.00 S ATOM 8 CE MET A 1 -13.183 6.804 6.424 1.00 0.00 C ATOM 0 H1 MET A 1 -16.745 6.647 3.468 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.658 5.603 2.488 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.624 4.966 3.674 1.00 0.00 H new ATOM 0 HA MET A 1 -16.036 6.082 1.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.690 6.502 1.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.817 7.594 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.726 5.628 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.130 5.436 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.825 7.550 7.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.149 6.424 6.755 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.469 5.982 6.370 1.00 0.00 H new ATOM 16 N ALA A 2 -15.253 3.805 0.536 1.00 0.00 N ATOM 17 CA ALA A 2 -14.830 2.454 0.188 1.00 0.00 C ATOM 18 C ALA A 2 -14.521 2.341 -1.301 1.00 0.00 C ATOM 19 O ALA A 2 -15.046 3.104 -2.113 1.00 0.00 O ATOM 20 CB ALA A 2 -15.899 1.448 0.585 1.00 0.00 C ATOM 0 H ALA A 2 -15.594 4.356 -0.252 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.916 2.233 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.570 0.443 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.068 1.502 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.827 1.677 0.060 1.00 0.00 H new ATOM 26 N ARG A 3 -13.667 1.386 -1.654 1.00 0.00 N ATOM 27 CA ARG A 3 -13.287 1.175 -3.045 1.00 0.00 C ATOM 28 C ARG A 3 -13.439 -0.292 -3.434 1.00 0.00 C ATOM 29 O ARG A 3 -13.783 -1.132 -2.603 1.00 0.00 O ATOM 30 CB ARG A 3 -11.845 1.629 -3.277 1.00 0.00 C ATOM 31 CG ARG A 3 -10.831 0.901 -2.409 1.00 0.00 C ATOM 32 CD ARG A 3 -10.067 1.867 -1.516 1.00 0.00 C ATOM 33 NE ARG A 3 -10.945 2.543 -0.565 1.00 0.00 N ATOM 34 CZ ARG A 3 -10.588 3.620 0.127 1.00 0.00 C ATOM 35 NH1 ARG A 3 -9.378 4.140 -0.026 1.00 0.00 N ATOM 36 NH2 ARG A 3 -11.443 4.179 0.974 1.00 0.00 N ATOM 0 H ARG A 3 -13.225 0.746 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.953 1.769 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.589 1.477 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.774 2.699 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.342 0.161 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.130 0.358 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.294 1.324 -0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.561 2.609 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.883 2.168 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.718 3.713 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.107 4.967 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.375 3.782 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.168 5.006 1.505 1.00 0.00 H new ATOM 47 N GLY A 4 -13.181 -0.593 -4.703 1.00 0.00 N ATOM 48 CA GLY A 4 -13.295 -1.958 -5.180 1.00 0.00 C ATOM 49 C GLY A 4 -12.190 -2.329 -6.150 1.00 0.00 C ATOM 50 O GLY A 4 -12.177 -1.868 -7.291 1.00 0.00 O ATOM 0 H GLY A 4 -12.895 0.085 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.271 -2.640 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.261 -2.090 -5.667 1.00 0.00 H new ATOM 54 N SER A 5 -11.259 -3.161 -5.695 1.00 0.00 N ATOM 55 CA SER A 5 -10.141 -3.588 -6.529 1.00 0.00 C ATOM 56 C SER A 5 -9.606 -4.941 -6.069 1.00 0.00 C ATOM 57 O SER A 5 -9.727 -5.943 -6.774 1.00 0.00 O ATOM 58 CB SER A 5 -9.024 -2.545 -6.493 1.00 0.00 C ATOM 59 OG SER A 5 -9.473 -1.297 -6.992 1.00 0.00 O ATOM 0 H SER A 5 -11.256 -3.553 -4.753 1.00 0.00 H new ATOM 0 HA SER A 5 -10.501 -3.689 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.668 -2.424 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.178 -2.894 -7.085 1.00 0.00 H new ATOM 0 HG SER A 5 -8.740 -0.648 -6.956 1.00 0.00 H new ATOM 64 N VAL A 6 -9.012 -4.961 -4.879 1.00 0.00 N ATOM 65 CA VAL A 6 -8.458 -6.189 -4.323 1.00 0.00 C ATOM 66 C VAL A 6 -9.564 -7.160 -3.925 1.00 0.00 C ATOM 67 O VAL A 6 -10.676 -6.750 -3.597 1.00 0.00 O ATOM 68 CB VAL A 6 -7.577 -5.900 -3.092 1.00 0.00 C ATOM 69 CG1 VAL A 6 -8.383 -6.045 -1.811 1.00 0.00 C ATOM 70 CG2 VAL A 6 -6.366 -6.821 -3.077 1.00 0.00 C ATOM 0 H VAL A 6 -8.903 -4.141 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.845 -6.641 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.223 -4.871 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.743 -5.837 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.215 -5.341 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.769 -7.062 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.754 -6.604 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.698 -7.858 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.776 -6.662 -3.980 1.00 0.00 H new ATOM 80 N SER A 7 -9.249 -8.451 -3.956 1.00 0.00 N ATOM 81 CA SER A 7 -10.217 -9.483 -3.602 1.00 0.00 C ATOM 82 C SER A 7 -10.878 -9.171 -2.263 1.00 0.00 C ATOM 83 O SER A 7 -10.304 -8.480 -1.420 1.00 0.00 O ATOM 84 CB SER A 7 -9.537 -10.851 -3.541 1.00 0.00 C ATOM 85 OG SER A 7 -9.870 -11.638 -4.672 1.00 0.00 O ATOM 0 H SER A 7 -8.331 -8.807 -4.223 1.00 0.00 H new ATOM 0 HA SER A 7 -10.988 -9.503 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.456 -10.721 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.839 -11.370 -2.631 1.00 0.00 H new ATOM 0 HG SER A 7 -9.421 -12.507 -4.610 1.00 0.00 H new ATOM 90 N ASP A 8 -12.089 -9.684 -2.074 1.00 0.00 N ATOM 91 CA ASP A 8 -12.829 -9.462 -0.837 1.00 0.00 C ATOM 92 C ASP A 8 -11.999 -9.874 0.375 1.00 0.00 C ATOM 93 O ASP A 8 -11.786 -9.081 1.291 1.00 0.00 O ATOM 94 CB ASP A 8 -14.145 -10.241 -0.858 1.00 0.00 C ATOM 95 CG ASP A 8 -15.330 -9.367 -1.219 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.235 -9.857 -1.926 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.352 -8.193 -0.794 1.00 0.00 O ATOM 0 H ASP A 8 -12.579 -10.256 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.047 -8.397 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.068 -11.058 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.313 -10.690 0.121 1.00 0.00 H new ATOM 101 N GLU A 9 -11.533 -11.119 0.371 1.00 0.00 N ATOM 102 CA GLU A 9 -10.729 -11.636 1.472 1.00 0.00 C ATOM 103 C GLU A 9 -9.615 -10.658 1.837 1.00 0.00 C ATOM 104 O GLU A 9 -9.548 -10.172 2.966 1.00 0.00 O ATOM 105 CB GLU A 9 -10.128 -12.993 1.100 1.00 0.00 C ATOM 106 CG GLU A 9 -10.999 -14.173 1.496 1.00 0.00 C ATOM 107 CD GLU A 9 -10.719 -14.659 2.905 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.580 -14.449 3.786 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.641 -15.246 3.128 1.00 0.00 O ATOM 0 H GLU A 9 -11.698 -11.787 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.380 -11.759 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.958 -13.023 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.154 -13.094 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.048 -13.888 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.836 -14.991 0.795 1.00 0.00 H new ATOM 114 N GLU A 10 -8.744 -10.375 0.874 1.00 0.00 N ATOM 115 CA GLU A 10 -7.633 -9.457 1.096 1.00 0.00 C ATOM 116 C GLU A 10 -8.138 -8.094 1.561 1.00 0.00 C ATOM 117 O GLU A 10 -7.724 -7.590 2.605 1.00 0.00 O ATOM 118 CB GLU A 10 -6.810 -9.299 -0.185 1.00 0.00 C ATOM 119 CG GLU A 10 -5.539 -10.131 -0.198 1.00 0.00 C ATOM 120 CD GLU A 10 -5.761 -11.544 0.307 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.759 -12.170 -0.105 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.939 -12.022 1.115 1.00 0.00 O ATOM 0 H GLU A 10 -8.786 -10.768 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.999 -9.876 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.426 -9.579 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.548 -8.249 -0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.145 -10.170 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.784 -9.643 0.418 1.00 0.00 H new ATOM 127 N MET A 11 -9.035 -7.503 0.777 1.00 0.00 N ATOM 128 CA MET A 11 -9.597 -6.199 1.108 1.00 0.00 C ATOM 129 C MET A 11 -9.836 -6.076 2.609 1.00 0.00 C ATOM 130 O MET A 11 -9.517 -5.054 3.216 1.00 0.00 O ATOM 131 CB MET A 11 -10.907 -5.978 0.351 1.00 0.00 C ATOM 132 CG MET A 11 -11.299 -4.514 0.230 1.00 0.00 C ATOM 133 SD MET A 11 -11.559 -4.004 -1.480 1.00 0.00 S ATOM 134 CE MET A 11 -10.412 -2.633 -1.602 1.00 0.00 C ATOM 0 H MET A 11 -9.388 -7.907 -0.091 1.00 0.00 H new ATOM 0 HA MET A 11 -8.880 -5.435 0.809 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.817 -6.405 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.706 -6.519 0.858 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.211 -4.338 0.800 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.520 -3.895 0.675 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.469 -2.198 -2.600 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.670 -1.876 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.398 -2.989 -1.419 1.00 0.00 H new ATOM 142 N MET A 12 -10.400 -7.123 3.202 1.00 0.00 N ATOM 143 CA MET A 12 -10.681 -7.131 4.633 1.00 0.00 C ATOM 144 C MET A 12 -9.388 -7.161 5.441 1.00 0.00 C ATOM 145 O MET A 12 -9.219 -6.393 6.387 1.00 0.00 O ATOM 146 CB MET A 12 -11.552 -8.335 4.997 1.00 0.00 C ATOM 147 CG MET A 12 -13.044 -8.050 4.921 1.00 0.00 C ATOM 148 SD MET A 12 -13.623 -7.013 6.277 1.00 0.00 S ATOM 149 CE MET A 12 -14.278 -8.249 7.394 1.00 0.00 C ATOM 0 H MET A 12 -10.671 -7.977 2.714 1.00 0.00 H new ATOM 0 HA MET A 12 -11.220 -6.215 4.877 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.314 -9.161 4.328 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.303 -8.661 6.007 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.269 -7.561 3.973 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.591 -8.993 4.931 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.675 -7.761 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.075 -8.802 6.898 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.483 -8.938 7.681 1.00 0.00 H new ATOM 157 N GLU A 13 -8.480 -8.055 5.062 1.00 0.00 N ATOM 158 CA GLU A 13 -7.202 -8.186 5.754 1.00 0.00 C ATOM 159 C GLU A 13 -6.342 -6.943 5.544 1.00 0.00 C ATOM 160 O GLU A 13 -5.977 -6.258 6.501 1.00 0.00 O ATOM 161 CB GLU A 13 -6.455 -9.426 5.260 1.00 0.00 C ATOM 162 CG GLU A 13 -6.690 -10.659 6.118 1.00 0.00 C ATOM 163 CD GLU A 13 -5.640 -10.825 7.200 1.00 0.00 C ATOM 164 OE1 GLU A 13 -4.458 -11.029 6.852 1.00 0.00 O ATOM 165 OE2 GLU A 13 -6.000 -10.752 8.393 1.00 0.00 O ATOM 0 H GLU A 13 -8.605 -8.699 4.281 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.403 -8.293 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.762 -9.642 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.387 -9.210 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.675 -10.593 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.694 -11.544 5.482 1.00 0.00 H new ATOM 170 N LEU A 14 -6.019 -6.659 4.287 1.00 0.00 N ATOM 171 CA LEU A 14 -5.200 -5.499 3.951 1.00 0.00 C ATOM 172 C LEU A 14 -5.694 -4.254 4.681 1.00 0.00 C ATOM 173 O LEU A 14 -4.915 -3.550 5.325 1.00 0.00 O ATOM 174 CB LEU A 14 -5.218 -5.259 2.441 1.00 0.00 C ATOM 175 CG LEU A 14 -5.105 -6.505 1.561 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.853 -6.115 0.112 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.000 -7.419 2.070 1.00 0.00 C ATOM 0 H LEU A 14 -6.311 -7.216 3.484 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.177 -5.702 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.143 -4.742 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.398 -4.586 2.191 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.049 -7.048 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.775 -7.015 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.679 -5.502 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.924 -5.549 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.934 -8.300 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.050 -6.886 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.224 -7.727 3.091 1.00 0.00 H new ATOM 188 N ARG A 15 -6.992 -3.989 4.578 1.00 0.00 N ATOM 189 CA ARG A 15 -7.588 -2.830 5.229 1.00 0.00 C ATOM 190 C ARG A 15 -7.352 -2.871 6.736 1.00 0.00 C ATOM 191 O ARG A 15 -6.962 -1.872 7.340 1.00 0.00 O ATOM 192 CB ARG A 15 -9.090 -2.771 4.938 1.00 0.00 C ATOM 193 CG ARG A 15 -9.841 -1.778 5.810 1.00 0.00 C ATOM 194 CD ARG A 15 -10.942 -2.457 6.607 1.00 0.00 C ATOM 195 NE ARG A 15 -12.251 -1.861 6.353 1.00 0.00 N ATOM 196 CZ ARG A 15 -12.982 -2.126 5.276 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.536 -2.973 4.360 1.00 0.00 N ATOM 198 NH2 ARG A 15 -14.164 -1.542 5.115 1.00 0.00 N ATOM 0 H ARG A 15 -7.651 -4.561 4.050 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.112 -1.935 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.238 -2.507 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.518 -3.763 5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.144 -1.292 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.272 -0.997 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.971 -3.517 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.714 -2.389 7.671 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.624 -1.206 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.629 -3.424 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.100 -3.174 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.511 -0.890 5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.725 -1.746 4.288 1.00 0.00 H new ATOM 209 N GLU A 16 -7.593 -4.033 7.335 1.00 0.00 N ATOM 210 CA GLU A 16 -7.408 -4.203 8.772 1.00 0.00 C ATOM 211 C GLU A 16 -6.028 -3.715 9.205 1.00 0.00 C ATOM 212 O GLU A 16 -5.910 -2.789 10.007 1.00 0.00 O ATOM 213 CB GLU A 16 -7.585 -5.672 9.161 1.00 0.00 C ATOM 214 CG GLU A 16 -8.813 -5.931 10.018 1.00 0.00 C ATOM 215 CD GLU A 16 -9.168 -7.403 10.100 1.00 0.00 C ATOM 216 OE1 GLU A 16 -8.360 -8.234 9.635 1.00 0.00 O ATOM 217 OE2 GLU A 16 -10.253 -7.724 10.629 1.00 0.00 O ATOM 0 H GLU A 16 -7.916 -4.869 6.849 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.163 -3.605 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.651 -6.274 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.699 -6.006 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.638 -5.547 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.660 -5.379 9.609 1.00 0.00 H new ATOM 222 N ALA A 17 -4.989 -4.344 8.667 1.00 0.00 N ATOM 223 CA ALA A 17 -3.618 -3.972 8.996 1.00 0.00 C ATOM 224 C ALA A 17 -3.353 -2.507 8.671 1.00 0.00 C ATOM 225 O ALA A 17 -2.913 -1.741 9.529 1.00 0.00 O ATOM 226 CB ALA A 17 -2.637 -4.866 8.251 1.00 0.00 C ATOM 0 H ALA A 17 -5.070 -5.113 8.002 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.477 -4.109 10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.617 -4.578 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.803 -5.905 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.788 -4.756 7.177 1.00 0.00 H new ATOM 232 N PHE A 18 -3.624 -2.122 7.429 1.00 0.00 N ATOM 233 CA PHE A 18 -3.413 -0.746 6.991 1.00 0.00 C ATOM 234 C PHE A 18 -3.848 0.241 8.070 1.00 0.00 C ATOM 235 O PHE A 18 -3.059 1.069 8.523 1.00 0.00 O ATOM 236 CB PHE A 18 -4.184 -0.477 5.697 1.00 0.00 C ATOM 237 CG PHE A 18 -4.075 0.943 5.219 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.861 1.938 5.776 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.185 1.282 4.212 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.763 3.245 5.339 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.082 2.587 3.770 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.874 3.571 4.334 1.00 0.00 C ATOM 0 H PHE A 18 -3.990 -2.743 6.707 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.348 -0.609 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.814 -1.144 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.235 -0.720 5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.559 1.689 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.565 0.517 3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.381 4.011 5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.384 2.839 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.797 4.592 3.989 1.00 0.00 H new ATOM 251 N ALA A 19 -5.110 0.145 8.477 1.00 0.00 N ATOM 252 CA ALA A 19 -5.650 1.028 9.503 1.00 0.00 C ATOM 253 C ALA A 19 -4.751 1.053 10.735 1.00 0.00 C ATOM 254 O ALA A 19 -4.444 2.118 11.270 1.00 0.00 O ATOM 255 CB ALA A 19 -7.058 0.594 9.885 1.00 0.00 C ATOM 0 H ALA A 19 -5.777 -0.535 8.112 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.690 2.037 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.449 1.262 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.702 0.634 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.033 -0.425 10.270 1.00 0.00 H new ATOM 261 N LYS A 20 -4.333 -0.127 11.181 1.00 0.00 N ATOM 262 CA LYS A 20 -3.468 -0.241 12.348 1.00 0.00 C ATOM 263 C LYS A 20 -2.203 0.593 12.172 1.00 0.00 C ATOM 264 O LYS A 20 -1.619 1.068 13.147 1.00 0.00 O ATOM 265 CB LYS A 20 -3.096 -1.705 12.592 1.00 0.00 C ATOM 266 CG LYS A 20 -4.288 -2.646 12.577 1.00 0.00 C ATOM 267 CD LYS A 20 -4.314 -3.532 13.812 1.00 0.00 C ATOM 268 CE LYS A 20 -2.992 -4.259 14.004 1.00 0.00 C ATOM 269 NZ LYS A 20 -3.050 -5.229 15.133 1.00 0.00 N ATOM 0 H LYS A 20 -4.580 -1.018 10.751 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.014 0.138 13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.384 -2.022 11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.591 -1.787 13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.210 -2.067 12.524 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.251 -3.268 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.528 -2.925 14.692 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.121 -4.259 13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.731 -4.786 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.202 -3.532 14.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.130 -5.703 15.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.274 -4.724 16.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.787 -5.938 14.944 1.00 0.00 H new ATOM 279 N VAL A 21 -1.784 0.770 10.923 1.00 0.00 N ATOM 280 CA VAL A 21 -0.589 1.548 10.619 1.00 0.00 C ATOM 281 C VAL A 21 -0.954 2.898 10.011 1.00 0.00 C ATOM 282 O VAL A 21 -0.081 3.654 9.585 1.00 0.00 O ATOM 283 CB VAL A 21 0.340 0.795 9.650 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.659 0.457 10.329 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.338 -0.463 9.130 1.00 0.00 C ATOM 0 H VAL A 21 -2.255 0.385 10.105 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.065 1.706 11.562 1.00 0.00 H new ATOM 0 HB VAL A 21 0.551 1.444 8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.303 -0.075 9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.151 1.376 10.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.470 -0.173 11.198 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.334 -0.982 8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.581 -1.118 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.253 -0.192 8.603 1.00 0.00 H new ATOM 295 N ASP A 22 -2.249 3.194 9.974 1.00 0.00 N ATOM 296 CA ASP A 22 -2.729 4.454 9.420 1.00 0.00 C ATOM 297 C ASP A 22 -3.156 5.409 10.530 1.00 0.00 C ATOM 298 O ASP A 22 -4.279 5.912 10.534 1.00 0.00 O ATOM 299 CB ASP A 22 -3.900 4.203 8.469 1.00 0.00 C ATOM 300 CG ASP A 22 -4.359 5.467 7.770 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.513 6.352 7.525 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.566 5.572 7.467 1.00 0.00 O ATOM 0 H ASP A 22 -2.984 2.578 10.321 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.911 4.913 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.606 3.465 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.733 3.777 9.028 1.00 0.00 H new ATOM 306 N THR A 23 -2.251 5.655 11.473 1.00 0.00 N ATOM 307 CA THR A 23 -2.533 6.547 12.589 1.00 0.00 C ATOM 308 C THR A 23 -2.759 7.976 12.108 1.00 0.00 C ATOM 309 O THR A 23 -3.239 8.825 12.859 1.00 0.00 O ATOM 310 CB THR A 23 -1.386 6.541 13.618 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.188 7.048 13.020 1.00 0.00 O ATOM 312 CG2 THR A 23 -1.140 5.134 14.144 1.00 0.00 C ATOM 0 H THR A 23 -1.316 5.248 11.485 1.00 0.00 H new ATOM 0 HA THR A 23 -3.441 6.178 13.065 1.00 0.00 H new ATOM 0 HB THR A 23 -1.673 7.180 14.453 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.535 7.042 13.681 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.326 5.154 14.869 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.045 4.762 14.624 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.873 4.478 13.316 1.00 0.00 H new ATOM 320 N ASP A 24 -2.413 8.234 10.852 1.00 0.00 N ATOM 321 CA ASP A 24 -2.580 9.561 10.269 1.00 0.00 C ATOM 322 C ASP A 24 -4.050 9.968 10.263 1.00 0.00 C ATOM 323 O ASP A 24 -4.376 11.148 10.139 1.00 0.00 O ATOM 324 CB ASP A 24 -2.023 9.589 8.845 1.00 0.00 C ATOM 325 CG ASP A 24 -0.507 9.588 8.817 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.072 8.725 8.124 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.099 10.450 9.486 1.00 0.00 O ATOM 0 H ASP A 24 -2.015 7.542 10.217 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.026 10.274 10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.394 8.724 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.393 10.476 8.331 1.00 0.00 H new ATOM 331 N GLY A 25 -4.934 8.983 10.393 1.00 0.00 N ATOM 332 CA GLY A 25 -6.358 9.260 10.398 1.00 0.00 C ATOM 333 C GLY A 25 -6.786 10.118 9.223 1.00 0.00 C ATOM 334 O GLY A 25 -7.791 10.823 9.295 1.00 0.00 O ATOM 0 H GLY A 25 -4.689 7.998 10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.908 8.319 10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.624 9.763 11.327 1.00 0.00 H new ATOM 338 N ASN A 26 -6.021 10.057 8.138 1.00 0.00 N ATOM 339 CA ASN A 26 -6.324 10.836 6.943 1.00 0.00 C ATOM 340 C ASN A 26 -6.698 9.922 5.779 1.00 0.00 C ATOM 341 O ASN A 26 -7.246 10.373 4.774 1.00 0.00 O ATOM 342 CB ASN A 26 -5.127 11.706 6.558 1.00 0.00 C ATOM 343 CG ASN A 26 -4.743 12.679 7.655 1.00 0.00 C ATOM 344 OD1 ASN A 26 -3.467 12.684 8.022 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -5.584 13.419 8.167 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.186 9.476 8.062 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.175 11.480 7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.275 11.066 6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.362 12.261 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.554 13.382 7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.310 14.069 8.904 1.00 0.00 H new ATOM 351 N GLY A 27 -6.400 8.634 5.926 1.00 0.00 N ATOM 352 CA GLY A 27 -6.713 7.678 4.880 1.00 0.00 C ATOM 353 C GLY A 27 -5.472 7.145 4.191 1.00 0.00 C ATOM 354 O GLY A 27 -5.547 6.202 3.402 1.00 0.00 O ATOM 0 H GLY A 27 -5.948 8.236 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.273 6.846 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.360 8.151 4.141 1.00 0.00 H new ATOM 358 N TYR A 28 -4.326 7.749 4.489 1.00 0.00 N ATOM 359 CA TYR A 28 -3.064 7.332 3.891 1.00 0.00 C ATOM 360 C TYR A 28 -1.988 7.154 4.958 1.00 0.00 C ATOM 361 O TYR A 28 -1.924 7.916 5.923 1.00 0.00 O ATOM 362 CB TYR A 28 -2.605 8.356 2.853 1.00 0.00 C ATOM 363 CG TYR A 28 -2.912 9.786 3.236 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.890 10.511 2.565 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.226 10.413 4.269 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.174 11.817 2.911 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.505 11.719 4.623 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.479 12.417 3.941 1.00 0.00 C ATOM 369 OH TYR A 28 -3.759 13.719 4.290 1.00 0.00 O ATOM 0 H TYR A 28 -4.246 8.529 5.141 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.224 6.373 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.530 8.252 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.083 8.133 1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.437 10.045 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.461 9.870 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.936 12.366 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.963 12.191 5.429 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.182 13.989 5.034 1.00 0.00 H new ATOM 378 N ILE A 29 -1.144 6.143 4.775 1.00 0.00 N ATOM 379 CA ILE A 29 -0.070 5.866 5.719 1.00 0.00 C ATOM 380 C ILE A 29 1.273 6.347 5.181 1.00 0.00 C ATOM 381 O ILE A 29 1.379 6.757 4.026 1.00 0.00 O ATOM 382 CB ILE A 29 0.027 4.362 6.037 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.386 3.575 4.775 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.284 3.860 6.627 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.369 2.075 4.973 1.00 0.00 C ATOM 0 H ILE A 29 -1.184 5.503 3.982 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.308 6.408 6.634 1.00 0.00 H new ATOM 0 HB ILE A 29 0.816 4.210 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.314 3.837 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.377 3.878 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.200 2.796 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.501 4.404 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.090 4.020 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.633 1.582 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.090 1.802 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.628 1.760 5.281 1.00 0.00 H new ATOM 396 N SER A 30 2.297 6.294 6.027 1.00 0.00 N ATOM 397 CA SER A 30 3.634 6.726 5.638 1.00 0.00 C ATOM 398 C SER A 30 4.406 5.583 4.986 1.00 0.00 C ATOM 399 O SER A 30 4.071 4.411 5.163 1.00 0.00 O ATOM 400 CB SER A 30 4.400 7.245 6.856 1.00 0.00 C ATOM 401 OG SER A 30 3.987 8.556 7.197 1.00 0.00 O ATOM 0 H SER A 30 2.226 5.956 6.987 1.00 0.00 H new ATOM 0 HA SER A 30 3.532 7.533 4.912 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.238 6.578 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.470 7.240 6.646 1.00 0.00 H new ATOM 0 HG SER A 30 4.490 8.864 7.979 1.00 0.00 H new ATOM 406 N PHE A 31 5.444 5.932 4.232 1.00 0.00 N ATOM 407 CA PHE A 31 6.264 4.937 3.552 1.00 0.00 C ATOM 408 C PHE A 31 6.627 3.794 4.497 1.00 0.00 C ATOM 409 O PHE A 31 6.381 2.626 4.197 1.00 0.00 O ATOM 410 CB PHE A 31 7.538 5.584 3.004 1.00 0.00 C ATOM 411 CG PHE A 31 7.508 5.801 1.518 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.677 6.760 0.961 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.309 5.045 0.677 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.647 6.963 -0.406 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.284 5.243 -0.690 1.00 0.00 C ATOM 416 CZ PHE A 31 7.451 6.203 -1.233 1.00 0.00 C ATOM 0 H PHE A 31 5.737 6.897 4.077 1.00 0.00 H new ATOM 0 HA PHE A 31 5.685 4.530 2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.692 6.542 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.392 4.955 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.045 7.356 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.961 4.292 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.996 7.715 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.915 4.648 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.429 6.359 -2.302 1.00 0.00 H new ATOM 425 N ASN A 32 7.214 4.141 5.638 1.00 0.00 N ATOM 426 CA ASN A 32 7.611 3.145 6.626 1.00 0.00 C ATOM 427 C ASN A 32 6.427 2.268 7.021 1.00 0.00 C ATOM 428 O ASN A 32 6.537 1.043 7.066 1.00 0.00 O ATOM 429 CB ASN A 32 8.191 3.829 7.865 1.00 0.00 C ATOM 430 CG ASN A 32 9.016 2.883 8.715 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.567 1.902 8.216 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.107 3.175 10.008 1.00 0.00 N ATOM 0 H ASN A 32 7.425 5.104 5.901 1.00 0.00 H new ATOM 0 HA ASN A 32 8.376 2.510 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.812 4.670 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.378 4.237 8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.650 2.575 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.634 3.999 10.379 1.00 0.00 H new ATOM 438 N GLU A 33 5.295 2.905 7.308 1.00 0.00 N ATOM 439 CA GLU A 33 4.091 2.182 7.700 1.00 0.00 C ATOM 440 C GLU A 33 3.661 1.208 6.607 1.00 0.00 C ATOM 441 O GLU A 33 3.230 0.090 6.890 1.00 0.00 O ATOM 442 CB GLU A 33 2.956 3.163 8.001 1.00 0.00 C ATOM 443 CG GLU A 33 3.282 4.149 9.111 1.00 0.00 C ATOM 444 CD GLU A 33 4.411 3.671 10.002 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.503 4.275 9.951 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.203 2.693 10.751 1.00 0.00 O ATOM 0 H GLU A 33 5.187 3.919 7.276 1.00 0.00 H new ATOM 0 HA GLU A 33 4.317 1.612 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.716 3.717 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.064 2.600 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.553 5.109 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.391 4.316 9.717 1.00 0.00 H new ATOM 451 N LEU A 34 3.778 1.642 5.357 1.00 0.00 N ATOM 452 CA LEU A 34 3.401 0.810 4.219 1.00 0.00 C ATOM 453 C LEU A 34 4.162 -0.512 4.237 1.00 0.00 C ATOM 454 O LEU A 34 3.563 -1.582 4.346 1.00 0.00 O ATOM 455 CB LEU A 34 3.673 1.551 2.909 1.00 0.00 C ATOM 456 CG LEU A 34 3.881 0.674 1.673 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.642 -0.163 1.397 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.228 1.529 0.465 1.00 0.00 C ATOM 0 H LEU A 34 4.131 2.565 5.105 1.00 0.00 H new ATOM 0 HA LEU A 34 2.335 0.596 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.838 2.225 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.559 2.172 3.043 1.00 0.00 H new ATOM 0 HG LEU A 34 4.714 -0.001 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.809 -0.780 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.438 -0.804 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.790 0.494 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.372 0.888 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.416 2.229 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.145 2.084 0.663 1.00 0.00 H new ATOM 469 N ASN A 35 5.484 -0.431 4.129 1.00 0.00 N ATOM 470 CA ASN A 35 6.326 -1.622 4.134 1.00 0.00 C ATOM 471 C ASN A 35 5.963 -2.540 5.297 1.00 0.00 C ATOM 472 O ASN A 35 5.824 -3.751 5.124 1.00 0.00 O ATOM 473 CB ASN A 35 7.801 -1.227 4.222 1.00 0.00 C ATOM 474 CG ASN A 35 8.161 -0.112 3.260 1.00 0.00 C ATOM 475 OD1 ASN A 35 7.966 -0.235 2.050 1.00 0.00 O ATOM 476 ND2 ASN A 35 8.688 0.983 3.794 1.00 0.00 N ATOM 0 H ASN A 35 5.995 0.447 4.037 1.00 0.00 H new ATOM 0 HA ASN A 35 6.156 -2.162 3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.029 -0.912 5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.421 -2.099 4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.950 1.767 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.831 1.041 4.802 1.00 0.00 H new ATOM 482 N ASP A 36 5.809 -1.955 6.480 1.00 0.00 N ATOM 483 CA ASP A 36 5.461 -2.720 7.671 1.00 0.00 C ATOM 484 C ASP A 36 4.086 -3.363 7.521 1.00 0.00 C ATOM 485 O ASP A 36 3.842 -4.459 8.030 1.00 0.00 O ATOM 486 CB ASP A 36 5.483 -1.818 8.907 1.00 0.00 C ATOM 487 CG ASP A 36 6.891 -1.429 9.314 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.849 -1.940 8.698 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.033 -0.614 10.249 1.00 0.00 O ATOM 0 H ASP A 36 5.920 -0.954 6.639 1.00 0.00 H new ATOM 0 HA ASP A 36 6.201 -3.511 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.904 -0.917 8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.997 -2.331 9.737 1.00 0.00 H new ATOM 493 N LEU A 37 3.190 -2.677 6.819 1.00 0.00 N ATOM 494 CA LEU A 37 1.839 -3.182 6.602 1.00 0.00 C ATOM 495 C LEU A 37 1.850 -4.376 5.652 1.00 0.00 C ATOM 496 O LEU A 37 1.043 -5.296 5.786 1.00 0.00 O ATOM 497 CB LEU A 37 0.946 -2.075 6.039 1.00 0.00 C ATOM 498 CG LEU A 37 -0.189 -2.531 5.121 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.119 -3.486 5.854 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.963 -1.332 4.593 1.00 0.00 C ATOM 0 H LEU A 37 3.375 -1.770 6.391 1.00 0.00 H new ATOM 0 HA LEU A 37 1.440 -3.510 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.512 -1.525 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.573 -1.375 5.488 1.00 0.00 H new ATOM 0 HG LEU A 37 0.247 -3.060 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.920 -3.799 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.557 -4.361 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.547 -2.983 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.767 -1.676 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.387 -0.775 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.291 -0.685 4.029 1.00 0.00 H new ATOM 511 N PHE A 38 2.770 -4.355 4.694 1.00 0.00 N ATOM 512 CA PHE A 38 2.886 -5.435 3.722 1.00 0.00 C ATOM 513 C PHE A 38 3.349 -6.725 4.396 1.00 0.00 C ATOM 514 O PHE A 38 2.873 -7.813 4.073 1.00 0.00 O ATOM 515 CB PHE A 38 3.864 -5.048 2.611 1.00 0.00 C ATOM 516 CG PHE A 38 3.197 -4.779 1.293 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.717 -3.515 0.989 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.050 -5.790 0.357 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.103 -3.265 -0.224 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.437 -5.545 -0.857 1.00 0.00 C ATOM 521 CZ PHE A 38 1.962 -4.281 -1.147 1.00 0.00 C ATOM 0 H PHE A 38 3.446 -3.602 4.570 1.00 0.00 H new ATOM 0 HA PHE A 38 1.902 -5.605 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.417 -4.160 2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.592 -5.849 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.824 -2.716 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.419 -6.781 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.734 -2.275 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.329 -6.341 -1.579 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.481 -4.088 -2.095 1.00 0.00 H new ATOM 530 N LYS A 39 4.281 -6.593 5.334 1.00 0.00 N ATOM 531 CA LYS A 39 4.809 -7.745 6.054 1.00 0.00 C ATOM 532 C LYS A 39 3.910 -8.109 7.232 1.00 0.00 C ATOM 533 O LYS A 39 3.805 -9.277 7.605 1.00 0.00 O ATOM 534 CB LYS A 39 6.227 -7.455 6.552 1.00 0.00 C ATOM 535 CG LYS A 39 7.148 -6.901 5.479 1.00 0.00 C ATOM 536 CD LYS A 39 8.610 -7.084 5.848 1.00 0.00 C ATOM 537 CE LYS A 39 9.081 -8.502 5.567 1.00 0.00 C ATOM 538 NZ LYS A 39 10.453 -8.746 6.095 1.00 0.00 N ATOM 0 H LYS A 39 4.686 -5.699 5.613 1.00 0.00 H new ATOM 0 HA LYS A 39 4.838 -8.590 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.175 -6.744 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.658 -8.374 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.946 -7.401 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.939 -5.841 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.220 -6.378 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.751 -6.855 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.387 -9.211 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.068 -8.683 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.738 -9.724 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.120 -8.086 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.460 -8.599 7.124 1.00 0.00 H new ATOM 548 N ALA A 40 3.263 -7.103 7.811 1.00 0.00 N ATOM 549 CA ALA A 40 2.371 -7.318 8.942 1.00 0.00 C ATOM 550 C ALA A 40 1.071 -7.979 8.498 1.00 0.00 C ATOM 551 O ALA A 40 0.430 -8.692 9.271 1.00 0.00 O ATOM 552 CB ALA A 40 2.083 -6.000 9.646 1.00 0.00 C ATOM 0 H ALA A 40 3.341 -6.130 7.514 1.00 0.00 H new ATOM 0 HA ALA A 40 2.868 -7.989 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.415 -6.176 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.017 -5.569 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.611 -5.310 8.947 1.00 0.00 H new ATOM 558 N ALA A 41 0.685 -7.737 7.249 1.00 0.00 N ATOM 559 CA ALA A 41 -0.538 -8.309 6.702 1.00 0.00 C ATOM 560 C ALA A 41 -0.274 -9.676 6.079 1.00 0.00 C ATOM 561 O ALA A 41 -1.123 -10.220 5.373 1.00 0.00 O ATOM 562 CB ALA A 41 -1.148 -7.368 5.674 1.00 0.00 C ATOM 0 H ALA A 41 1.203 -7.148 6.597 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.245 -8.442 7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.061 -7.809 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.382 -6.415 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.438 -7.206 4.863 1.00 0.00 H new ATOM 568 N CYS A 42 0.906 -10.224 6.347 1.00 0.00 N ATOM 569 CA CYS A 42 1.282 -11.527 5.810 1.00 0.00 C ATOM 570 C CYS A 42 1.063 -11.578 4.302 1.00 0.00 C ATOM 571 O CYS A 42 0.505 -12.543 3.776 1.00 0.00 O ATOM 572 CB CYS A 42 0.476 -12.634 6.492 1.00 0.00 C ATOM 573 SG CYS A 42 1.204 -14.282 6.335 1.00 0.00 S ATOM 0 H CYS A 42 1.618 -9.787 6.932 1.00 0.00 H new ATOM 0 HA CYS A 42 2.342 -11.683 6.010 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.372 -12.394 7.550 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.528 -12.651 6.069 1.00 0.00 H new ATOM 0 HG CYS A 42 0.451 -15.149 6.945 1.00 0.00 H new ATOM 578 N LEU A 43 1.506 -10.534 3.610 1.00 0.00 N ATOM 579 CA LEU A 43 1.358 -10.459 2.160 1.00 0.00 C ATOM 580 C LEU A 43 2.401 -11.325 1.461 1.00 0.00 C ATOM 581 O LEU A 43 3.456 -11.637 2.013 1.00 0.00 O ATOM 582 CB LEU A 43 1.485 -9.009 1.690 1.00 0.00 C ATOM 583 CG LEU A 43 0.449 -8.031 2.246 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.270 -6.850 1.304 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.879 -8.735 2.480 1.00 0.00 C ATOM 0 H LEU A 43 1.970 -9.728 4.029 1.00 0.00 H new ATOM 0 HA LEU A 43 0.368 -10.834 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.478 -8.647 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.423 -8.994 0.602 1.00 0.00 H new ATOM 0 HG LEU A 43 0.811 -7.655 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.471 -6.165 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.221 -6.330 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.068 -7.208 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.603 -8.023 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.247 -9.141 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.740 -9.546 3.195 1.00 0.00 H new ATOM 596 N PRO A 44 2.101 -11.722 0.216 1.00 0.00 N ATOM 597 CA PRO A 44 3.001 -12.556 -0.588 1.00 0.00 C ATOM 598 C PRO A 44 4.253 -11.802 -1.025 1.00 0.00 C ATOM 599 O PRO A 44 5.372 -12.294 -0.868 1.00 0.00 O ATOM 600 CB PRO A 44 2.150 -12.927 -1.805 1.00 0.00 C ATOM 601 CG PRO A 44 1.146 -11.830 -1.914 1.00 0.00 C ATOM 602 CD PRO A 44 0.861 -11.388 -0.505 1.00 0.00 C ATOM 0 HA PRO A 44 3.367 -13.417 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.758 -12.998 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.666 -13.894 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.533 -11.004 -2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.238 -12.180 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.642 -10.321 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.000 -11.910 -0.087 1.00 0.00 H new ATOM 607 N LEU A 45 4.059 -10.607 -1.571 1.00 0.00 N ATOM 608 CA LEU A 45 5.174 -9.786 -2.029 1.00 0.00 C ATOM 609 C LEU A 45 6.254 -9.686 -0.957 1.00 0.00 C ATOM 610 O LEU A 45 5.971 -9.561 0.234 1.00 0.00 O ATOM 611 CB LEU A 45 4.681 -8.386 -2.404 1.00 0.00 C ATOM 612 CG LEU A 45 3.582 -8.324 -3.466 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.725 -7.065 -4.307 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.622 -9.564 -4.347 1.00 0.00 C ATOM 0 H LEU A 45 3.140 -10.185 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 45 5.606 -10.262 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.314 -7.898 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.533 -7.805 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 45 2.616 -8.292 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.935 -7.037 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.647 -6.188 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.696 -7.067 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.833 -9.503 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.590 -9.627 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.471 -10.452 -3.733 1.00 0.00 H new ATOM 625 N PRO A 46 7.523 -9.741 -1.388 1.00 0.00 N ATOM 626 CA PRO A 46 8.672 -9.656 -0.481 1.00 0.00 C ATOM 627 C PRO A 46 8.833 -8.264 0.121 1.00 0.00 C ATOM 628 O PRO A 46 7.948 -7.419 -0.001 1.00 0.00 O ATOM 629 CB PRO A 46 9.862 -9.989 -1.385 1.00 0.00 C ATOM 630 CG PRO A 46 9.413 -9.618 -2.755 1.00 0.00 C ATOM 631 CD PRO A 46 7.934 -9.889 -2.794 1.00 0.00 C ATOM 0 HA PRO A 46 8.568 -10.325 0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.750 -9.427 -1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.120 -11.046 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.623 -8.569 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.937 -10.204 -3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.413 -9.183 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.718 -10.888 -3.173 1.00 0.00 H new ATOM 636 N GLY A 47 9.970 -8.034 0.771 1.00 0.00 N ATOM 637 CA GLY A 47 10.227 -6.743 1.382 1.00 0.00 C ATOM 638 C GLY A 47 10.755 -5.726 0.389 1.00 0.00 C ATOM 639 O GLY A 47 10.372 -4.557 0.426 1.00 0.00 O ATOM 0 H GLY A 47 10.717 -8.719 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.307 -6.366 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.947 -6.864 2.191 1.00 0.00 H new ATOM 643 N TYR A 48 11.638 -6.172 -0.497 1.00 0.00 N ATOM 644 CA TYR A 48 12.223 -5.291 -1.501 1.00 0.00 C ATOM 645 C TYR A 48 11.175 -4.856 -2.520 1.00 0.00 C ATOM 646 O TYR A 48 11.154 -3.703 -2.952 1.00 0.00 O ATOM 647 CB TYR A 48 13.382 -5.993 -2.212 1.00 0.00 C ATOM 648 CG TYR A 48 12.967 -7.237 -2.964 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.582 -7.171 -4.297 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.958 -8.480 -2.340 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.201 -8.305 -4.988 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.580 -9.619 -3.024 1.00 0.00 C ATOM 653 CZ TYR A 48 12.203 -9.527 -4.347 1.00 0.00 C ATOM 654 OH TYR A 48 11.824 -10.659 -5.031 1.00 0.00 O ATOM 0 H TYR A 48 11.964 -7.137 -0.541 1.00 0.00 H new ATOM 0 HA TYR A 48 12.601 -4.403 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.846 -5.295 -2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.141 -6.260 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.580 -6.216 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.251 -8.556 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.903 -8.236 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.580 -10.577 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 48 11.882 -11.436 -4.436 1.00 0.00 H new ATOM 663 N ARG A 49 10.307 -5.786 -2.901 1.00 0.00 N ATOM 664 CA ARG A 49 9.255 -5.500 -3.871 1.00 0.00 C ATOM 665 C ARG A 49 8.433 -4.290 -3.439 1.00 0.00 C ATOM 666 O ARG A 49 8.196 -3.374 -4.226 1.00 0.00 O ATOM 667 CB ARG A 49 8.343 -6.717 -4.040 1.00 0.00 C ATOM 668 CG ARG A 49 8.768 -7.645 -5.167 1.00 0.00 C ATOM 669 CD ARG A 49 7.994 -7.359 -6.445 1.00 0.00 C ATOM 670 NE ARG A 49 8.789 -6.604 -7.409 1.00 0.00 N ATOM 671 CZ ARG A 49 8.293 -6.098 -8.533 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.012 -6.264 -8.831 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.080 -5.423 -9.361 1.00 0.00 N ATOM 0 H ARG A 49 10.310 -6.745 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 49 9.728 -5.274 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.324 -7.279 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.325 -6.375 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.836 -7.528 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.608 -8.681 -4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.677 -8.300 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.090 -6.800 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 49 9.778 -6.457 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.404 -6.782 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.635 -5.874 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.066 -5.292 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.699 -5.035 -10.224 1.00 0.00 H new ATOM 684 N VAL A 50 7.999 -4.294 -2.182 1.00 0.00 N ATOM 685 CA VAL A 50 7.203 -3.197 -1.646 1.00 0.00 C ATOM 686 C VAL A 50 8.012 -1.907 -1.590 1.00 0.00 C ATOM 687 O VAL A 50 7.657 -0.912 -2.223 1.00 0.00 O ATOM 688 CB VAL A 50 6.678 -3.522 -0.234 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.725 -2.438 0.245 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.001 -4.884 -0.219 1.00 0.00 C ATOM 0 H VAL A 50 8.185 -5.044 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 50 6.356 -3.063 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 50 7.525 -3.555 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.365 -2.685 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.247 -1.482 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.879 -2.369 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.636 -5.098 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.163 -4.882 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.718 -5.650 -0.515 1.00 0.00 H new ATOM 700 N ARG A 51 9.101 -1.929 -0.829 1.00 0.00 N ATOM 701 CA ARG A 51 9.961 -0.761 -0.690 1.00 0.00 C ATOM 702 C ARG A 51 10.331 -0.193 -2.057 1.00 0.00 C ATOM 703 O ARG A 51 10.395 1.023 -2.237 1.00 0.00 O ATOM 704 CB ARG A 51 11.231 -1.124 0.083 1.00 0.00 C ATOM 705 CG ARG A 51 12.102 0.074 0.422 1.00 0.00 C ATOM 706 CD ARG A 51 13.412 0.047 -0.350 1.00 0.00 C ATOM 707 NE ARG A 51 14.568 0.184 0.530 1.00 0.00 N ATOM 708 CZ ARG A 51 15.822 0.015 0.125 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.080 -0.294 -1.138 1.00 0.00 N ATOM 710 NH2 ARG A 51 16.823 0.157 0.986 1.00 0.00 N ATOM 0 H ARG A 51 9.409 -2.744 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 51 9.411 -0.001 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.951 -1.632 1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.815 -1.832 -0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.563 0.993 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.309 0.083 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.487 -0.889 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.417 0.853 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 51 14.405 0.422 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.314 -0.403 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.044 -0.423 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.629 0.396 1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.786 0.027 0.675 1.00 0.00 H new ATOM 721 N GLU A 52 10.576 -1.081 -3.015 1.00 0.00 N ATOM 722 CA GLU A 52 10.941 -0.668 -4.365 1.00 0.00 C ATOM 723 C GLU A 52 9.752 -0.034 -5.081 1.00 0.00 C ATOM 724 O GLU A 52 9.838 1.090 -5.575 1.00 0.00 O ATOM 725 CB GLU A 52 11.455 -1.865 -5.168 1.00 0.00 C ATOM 726 CG GLU A 52 12.138 -1.477 -6.468 1.00 0.00 C ATOM 727 CD GLU A 52 13.371 -2.313 -6.751 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.318 -3.158 -7.670 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.390 -2.123 -6.054 1.00 0.00 O ATOM 0 H GLU A 52 10.528 -2.091 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 52 11.734 0.075 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.156 -2.430 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.619 -2.529 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.432 -1.587 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.419 -0.425 -6.427 1.00 0.00 H new ATOM 734 N ILE A 53 8.642 -0.764 -5.131 1.00 0.00 N ATOM 735 CA ILE A 53 7.435 -0.273 -5.785 1.00 0.00 C ATOM 736 C ILE A 53 7.100 1.143 -5.331 1.00 0.00 C ATOM 737 O ILE A 53 6.762 2.005 -6.143 1.00 0.00 O ATOM 738 CB ILE A 53 6.230 -1.189 -5.501 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.386 -2.519 -6.242 1.00 0.00 C ATOM 740 CG2 ILE A 53 4.935 -0.501 -5.906 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.669 -3.671 -5.575 1.00 0.00 C ATOM 0 H ILE A 53 8.554 -1.696 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 53 7.636 -0.270 -6.856 1.00 0.00 H new ATOM 0 HB ILE A 53 6.192 -1.393 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.008 -2.406 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.446 -2.759 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.092 -1.161 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.821 0.422 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.963 -0.271 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.823 -4.581 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.063 -3.811 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.603 -3.453 -5.520 1.00 0.00 H new ATOM 752 N THR A 54 7.200 1.380 -4.026 1.00 0.00 N ATOM 753 CA THR A 54 6.909 2.692 -3.463 1.00 0.00 C ATOM 754 C THR A 54 7.940 3.723 -3.910 1.00 0.00 C ATOM 755 O THR A 54 7.594 4.733 -4.523 1.00 0.00 O ATOM 756 CB THR A 54 6.878 2.649 -1.923 1.00 0.00 C ATOM 757 OG1 THR A 54 6.686 1.302 -1.476 1.00 0.00 O ATOM 758 CG2 THR A 54 5.766 3.533 -1.380 1.00 0.00 C ATOM 0 H THR A 54 7.480 0.680 -3.340 1.00 0.00 H new ATOM 0 HA THR A 54 5.925 2.982 -3.831 1.00 0.00 H new ATOM 0 HB THR A 54 7.832 3.023 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.476 0.767 -1.700 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.763 3.487 -0.291 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.931 4.562 -1.699 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.806 3.185 -1.760 1.00 0.00 H new ATOM 766 N GLU A 55 9.206 3.461 -3.600 1.00 0.00 N ATOM 767 CA GLU A 55 10.286 4.368 -3.970 1.00 0.00 C ATOM 768 C GLU A 55 10.256 4.667 -5.466 1.00 0.00 C ATOM 769 O GLU A 55 10.686 5.733 -5.905 1.00 0.00 O ATOM 770 CB GLU A 55 11.639 3.768 -3.585 1.00 0.00 C ATOM 771 CG GLU A 55 12.406 4.596 -2.568 1.00 0.00 C ATOM 772 CD GLU A 55 13.540 5.384 -3.193 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.557 4.763 -3.566 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.412 6.621 -3.308 1.00 0.00 O ATOM 0 H GLU A 55 9.509 2.629 -3.094 1.00 0.00 H new ATOM 0 HA GLU A 55 10.144 5.303 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.482 2.768 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.247 3.658 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.720 5.284 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.808 3.938 -1.798 1.00 0.00 H new ATOM 779 N ASN A 56 9.744 3.718 -6.243 1.00 0.00 N ATOM 780 CA ASN A 56 9.659 3.879 -7.690 1.00 0.00 C ATOM 781 C ASN A 56 8.359 4.573 -8.085 1.00 0.00 C ATOM 782 O ASN A 56 8.270 5.190 -9.147 1.00 0.00 O ATOM 783 CB ASN A 56 9.753 2.517 -8.382 1.00 0.00 C ATOM 784 CG ASN A 56 11.176 2.160 -8.766 1.00 0.00 C ATOM 785 OD1 ASN A 56 11.666 1.042 -8.243 1.00 0.00 O flip ATOM 786 ND2 ASN A 56 11.826 2.881 -9.522 1.00 0.00 N flip ATOM 0 H ASN A 56 9.382 2.830 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 56 10.495 4.501 -8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.355 1.748 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.129 2.523 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.408 3.731 -9.900 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.782 2.628 -9.771 1.00 0.00 H new ATOM 792 N LEU A 57 7.354 4.470 -7.222 1.00 0.00 N ATOM 793 CA LEU A 57 6.059 5.089 -7.479 1.00 0.00 C ATOM 794 C LEU A 57 6.170 6.610 -7.470 1.00 0.00 C ATOM 795 O LEU A 57 5.885 7.270 -8.469 1.00 0.00 O ATOM 796 CB LEU A 57 5.038 4.635 -6.433 1.00 0.00 C ATOM 797 CG LEU A 57 3.637 4.316 -6.958 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.636 2.991 -7.704 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.634 4.287 -5.813 1.00 0.00 C ATOM 0 H LEU A 57 7.411 3.964 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 57 5.724 4.774 -8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.428 3.748 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.952 5.414 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 57 3.342 5.101 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.631 2.780 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.325 3.047 -8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.951 2.194 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.642 4.059 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.925 3.522 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.615 5.260 -5.321 1.00 0.00 H new ATOM 810 N MET A 58 6.589 7.161 -6.335 1.00 0.00 N ATOM 811 CA MET A 58 6.742 8.605 -6.198 1.00 0.00 C ATOM 812 C MET A 58 8.058 9.073 -6.809 1.00 0.00 C ATOM 813 O MET A 58 8.312 10.273 -6.915 1.00 0.00 O ATOM 814 CB MET A 58 6.680 9.008 -4.723 1.00 0.00 C ATOM 815 CG MET A 58 7.685 8.274 -3.850 1.00 0.00 C ATOM 816 SD MET A 58 9.163 9.253 -3.518 1.00 0.00 S ATOM 817 CE MET A 58 9.315 9.047 -1.746 1.00 0.00 C ATOM 0 H MET A 58 6.828 6.630 -5.498 1.00 0.00 H new ATOM 0 HA MET A 58 5.922 9.084 -6.734 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.854 10.081 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.675 8.818 -4.345 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.212 8.006 -2.905 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.973 7.343 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.007 9.791 -1.351 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.338 9.176 -1.280 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.693 8.048 -1.527 1.00 0.00 H new ATOM 825 N ALA A 59 8.891 8.119 -7.211 1.00 0.00 N ATOM 826 CA ALA A 59 10.180 8.433 -7.815 1.00 0.00 C ATOM 827 C ALA A 59 10.039 9.523 -8.873 1.00 0.00 C ATOM 828 O ALA A 59 10.985 10.263 -9.149 1.00 0.00 O ATOM 829 CB ALA A 59 10.799 7.184 -8.421 1.00 0.00 C ATOM 0 H ALA A 59 8.696 7.121 -7.129 1.00 0.00 H new ATOM 0 HA ALA A 59 10.839 8.806 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.761 7.435 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.945 6.436 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.136 6.785 -9.188 1.00 0.00 H new ATOM 835 N THR A 60 8.853 9.617 -9.465 1.00 0.00 N ATOM 836 CA THR A 60 8.589 10.615 -10.495 1.00 0.00 C ATOM 837 C THR A 60 7.672 11.714 -9.972 1.00 0.00 C ATOM 838 O THR A 60 7.990 12.899 -10.065 1.00 0.00 O ATOM 839 CB THR A 60 7.949 9.978 -11.743 1.00 0.00 C ATOM 840 OG1 THR A 60 7.050 8.934 -11.354 1.00 0.00 O ATOM 841 CG2 THR A 60 9.017 9.416 -12.671 1.00 0.00 C ATOM 0 H THR A 60 8.059 9.014 -9.249 1.00 0.00 H new ATOM 0 HA THR A 60 9.551 11.048 -10.770 1.00 0.00 H new ATOM 0 HB THR A 60 7.397 10.752 -12.276 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.646 8.535 -12.153 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.542 8.971 -13.545 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.682 10.219 -12.989 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.593 8.655 -12.144 1.00 0.00 H new ATOM 849 N GLY A 61 6.529 11.314 -9.421 1.00 0.00 N ATOM 850 CA GLY A 61 5.583 12.278 -8.892 1.00 0.00 C ATOM 851 C GLY A 61 4.236 11.656 -8.578 1.00 0.00 C ATOM 852 O GLY A 61 3.192 12.242 -8.865 1.00 0.00 O ATOM 0 H GLY A 61 6.242 10.339 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.993 12.726 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.448 13.084 -9.613 1.00 0.00 H new ATOM 856 N ASP A 62 4.259 10.466 -7.988 1.00 0.00 N ATOM 857 CA ASP A 62 3.030 9.764 -7.635 1.00 0.00 C ATOM 858 C ASP A 62 2.560 10.161 -6.239 1.00 0.00 C ATOM 859 O ASP A 62 1.423 10.598 -6.056 1.00 0.00 O ATOM 860 CB ASP A 62 3.245 8.252 -7.703 1.00 0.00 C ATOM 861 CG ASP A 62 3.173 7.720 -9.122 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.900 8.246 -9.991 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.391 6.777 -9.363 1.00 0.00 O ATOM 0 H ASP A 62 5.115 9.967 -7.744 1.00 0.00 H new ATOM 0 HA ASP A 62 2.260 10.047 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.217 8.007 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.492 7.753 -7.092 1.00 0.00 H new ATOM 867 N LEU A 63 3.440 10.005 -5.256 1.00 0.00 N ATOM 868 CA LEU A 63 3.115 10.346 -3.876 1.00 0.00 C ATOM 869 C LEU A 63 3.569 11.764 -3.544 1.00 0.00 C ATOM 870 O LEU A 63 3.205 12.315 -2.505 1.00 0.00 O ATOM 871 CB LEU A 63 3.770 9.350 -2.916 1.00 0.00 C ATOM 872 CG LEU A 63 3.429 7.877 -3.142 1.00 0.00 C ATOM 873 CD1 LEU A 63 2.977 7.648 -4.576 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.625 6.996 -2.810 1.00 0.00 C ATOM 0 H LEU A 63 4.385 9.644 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 63 2.032 10.295 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.852 9.467 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.485 9.616 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 63 2.609 7.607 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.739 6.594 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.092 8.251 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.776 7.935 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.364 5.951 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.465 7.267 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.903 7.139 -1.766 1.00 0.00 H new ATOM 885 N ASP A 64 4.364 12.348 -4.434 1.00 0.00 N ATOM 886 CA ASP A 64 4.865 13.703 -4.236 1.00 0.00 C ATOM 887 C ASP A 64 3.727 14.658 -3.887 1.00 0.00 C ATOM 888 O ASP A 64 3.948 15.702 -3.273 1.00 0.00 O ATOM 889 CB ASP A 64 5.588 14.190 -5.493 1.00 0.00 C ATOM 890 CG ASP A 64 6.643 15.234 -5.187 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.778 16.193 -5.975 1.00 0.00 O ATOM 892 OD2 ASP A 64 7.335 15.093 -4.156 1.00 0.00 O ATOM 0 H ASP A 64 4.675 11.905 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 64 5.569 13.686 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.055 13.341 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.860 14.607 -6.189 1.00 0.00 H new ATOM 896 N GLN A 65 2.512 14.292 -4.282 1.00 0.00 N ATOM 897 CA GLN A 65 1.341 15.117 -4.012 1.00 0.00 C ATOM 898 C GLN A 65 1.273 15.500 -2.537 1.00 0.00 C ATOM 899 O GLN A 65 0.810 16.586 -2.188 1.00 0.00 O ATOM 900 CB GLN A 65 0.065 14.378 -4.417 1.00 0.00 C ATOM 901 CG GLN A 65 -0.396 13.353 -3.394 1.00 0.00 C ATOM 902 CD GLN A 65 -1.739 12.743 -3.743 1.00 0.00 C ATOM 903 OE1 GLN A 65 -1.809 11.660 -4.324 1.00 0.00 O ATOM 904 NE2 GLN A 65 -2.815 13.436 -3.390 1.00 0.00 N ATOM 0 H GLN A 65 2.313 13.430 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 65 1.427 16.029 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.731 15.105 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.232 13.877 -5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.349 12.561 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.460 13.827 -2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.711 14.330 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.746 13.075 -3.599 1.00 0.00 H new ATOM 911 N ASP A 66 1.738 14.602 -1.675 1.00 0.00 N ATOM 912 CA ASP A 66 1.732 14.846 -0.238 1.00 0.00 C ATOM 913 C ASP A 66 2.887 14.118 0.442 1.00 0.00 C ATOM 914 O ASP A 66 3.515 14.649 1.357 1.00 0.00 O ATOM 915 CB ASP A 66 0.402 14.398 0.370 1.00 0.00 C ATOM 916 CG ASP A 66 -0.251 15.485 1.201 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.484 16.255 1.854 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.496 15.566 1.198 1.00 0.00 O ATOM 0 H ASP A 66 2.124 13.698 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 66 1.856 15.917 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.277 14.099 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.569 13.519 0.993 1.00 0.00 H new ATOM 922 N GLY A 67 3.162 12.899 -0.011 1.00 0.00 N ATOM 923 CA GLY A 67 4.240 12.118 0.565 1.00 0.00 C ATOM 924 C GLY A 67 3.742 10.871 1.268 1.00 0.00 C ATOM 925 O GLY A 67 4.530 10.000 1.635 1.00 0.00 O ATOM 0 H GLY A 67 2.657 12.438 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.939 11.833 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.793 12.735 1.274 1.00 0.00 H new ATOM 929 N ARG A 68 2.429 10.785 1.457 1.00 0.00 N ATOM 930 CA ARG A 68 1.826 9.636 2.124 1.00 0.00 C ATOM 931 C ARG A 68 1.385 8.588 1.106 1.00 0.00 C ATOM 932 O ARG A 68 1.738 8.664 -0.071 1.00 0.00 O ATOM 933 CB ARG A 68 0.630 10.079 2.968 1.00 0.00 C ATOM 934 CG ARG A 68 0.949 11.215 3.926 1.00 0.00 C ATOM 935 CD ARG A 68 0.456 12.550 3.390 1.00 0.00 C ATOM 936 NE ARG A 68 0.075 13.464 4.465 1.00 0.00 N ATOM 937 CZ ARG A 68 0.944 14.013 5.306 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.239 13.744 5.196 1.00 0.00 N ATOM 939 NH2 ARG A 68 0.520 14.835 6.257 1.00 0.00 N ATOM 0 H ARG A 68 1.762 11.497 1.158 1.00 0.00 H new ATOM 0 HA ARG A 68 2.576 9.190 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.177 10.390 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.263 9.226 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.487 11.017 4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.026 11.263 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.238 13.008 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.399 12.384 2.735 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.913 13.693 4.575 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.569 13.114 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.904 14.167 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.474 15.046 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.188 15.256 6.902 1.00 0.00 H new ATOM 950 N ILE A 69 0.611 7.611 1.569 1.00 0.00 N ATOM 951 CA ILE A 69 0.122 6.549 0.700 1.00 0.00 C ATOM 952 C ILE A 69 -1.283 6.112 1.104 1.00 0.00 C ATOM 953 O ILE A 69 -1.476 5.501 2.155 1.00 0.00 O ATOM 954 CB ILE A 69 1.055 5.324 0.726 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.445 5.705 0.212 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.468 4.193 -0.105 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.511 4.685 0.543 1.00 0.00 C ATOM 0 H ILE A 69 0.310 7.534 2.540 1.00 0.00 H new ATOM 0 HA ILE A 69 0.098 6.955 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 69 1.150 4.979 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.401 5.835 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.730 6.667 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.139 3.335 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.503 3.909 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.346 4.524 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.470 5.020 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.583 4.572 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.249 3.727 0.095 1.00 0.00 H new ATOM 968 N SER A 70 -2.261 6.429 0.261 1.00 0.00 N ATOM 969 CA SER A 70 -3.648 6.071 0.530 1.00 0.00 C ATOM 970 C SER A 70 -3.883 4.583 0.285 1.00 0.00 C ATOM 971 O SER A 70 -3.212 3.966 -0.542 1.00 0.00 O ATOM 972 CB SER A 70 -4.590 6.900 -0.346 1.00 0.00 C ATOM 973 OG SER A 70 -4.993 6.171 -1.493 1.00 0.00 O ATOM 0 H SER A 70 -2.118 6.933 -0.614 1.00 0.00 H new ATOM 0 HA SER A 70 -3.856 6.285 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.468 7.190 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.092 7.820 -0.652 1.00 0.00 H new ATOM 0 HG SER A 70 -5.317 6.792 -2.178 1.00 0.00 H new ATOM 978 N PHE A 71 -4.841 4.015 1.008 1.00 0.00 N ATOM 979 CA PHE A 71 -5.166 2.600 0.871 1.00 0.00 C ATOM 980 C PHE A 71 -5.305 2.215 -0.598 1.00 0.00 C ATOM 981 O PHE A 71 -4.962 1.100 -0.994 1.00 0.00 O ATOM 982 CB PHE A 71 -6.461 2.277 1.620 1.00 0.00 C ATOM 983 CG PHE A 71 -6.692 0.805 1.808 1.00 0.00 C ATOM 984 CD1 PHE A 71 -7.966 0.272 1.701 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.636 -0.045 2.096 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.183 -1.083 1.874 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.846 -1.399 2.270 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.122 -1.919 2.160 1.00 0.00 C ATOM 0 H PHE A 71 -5.407 4.513 1.695 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.350 2.021 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.437 2.761 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.303 2.702 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.800 0.922 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.637 0.356 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.181 -1.487 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.014 -2.051 2.492 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.289 -2.977 2.297 1.00 0.00 H new ATOM 997 N ASP A 72 -5.810 3.143 -1.403 1.00 0.00 N ATOM 998 CA ASP A 72 -5.994 2.901 -2.829 1.00 0.00 C ATOM 999 C ASP A 72 -4.682 2.484 -3.484 1.00 0.00 C ATOM 1000 O ASP A 72 -4.604 1.439 -4.129 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.544 4.154 -3.513 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.022 4.039 -3.831 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.393 3.138 -4.612 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.807 4.850 -3.298 1.00 0.00 O ATOM 0 H ASP A 72 -6.099 4.070 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.711 2.088 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.380 5.018 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.990 4.334 -4.434 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.651 3.308 -3.313 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.343 3.023 -3.889 1.00 0.00 C ATOM 1010 C GLU A 73 -1.835 1.657 -3.439 1.00 0.00 C ATOM 1011 O GLU A 73 -1.359 0.862 -4.249 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.340 4.109 -3.491 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.022 5.085 -4.611 1.00 0.00 C ATOM 1014 CD GLU A 73 -0.577 4.389 -5.882 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -0.149 3.218 -5.799 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -0.656 5.013 -6.961 1.00 0.00 O ATOM 0 H GLU A 73 -3.698 4.177 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.447 3.012 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.736 4.663 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.416 3.635 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.904 5.690 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.239 5.768 -4.282 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.940 1.391 -2.140 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.491 0.121 -1.581 1.00 0.00 C ATOM 1023 C PHE A 74 -2.136 -1.053 -2.312 1.00 0.00 C ATOM 1024 O PHE A 74 -1.457 -2.006 -2.698 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.821 0.052 -0.089 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.636 -1.316 0.503 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.600 -2.297 0.328 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.499 -1.621 1.234 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.432 -3.557 0.871 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.326 -2.880 1.778 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.294 -3.848 1.598 1.00 0.00 C ATOM 0 H PHE A 74 -2.332 2.038 -1.456 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.411 0.057 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.189 0.760 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.853 0.368 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.492 -2.074 -0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.260 -0.867 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.190 -4.313 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.566 -3.106 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.162 -4.831 2.025 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.449 -0.978 -2.496 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.186 -2.034 -3.181 1.00 0.00 C ATOM 1042 C ILE A 75 -3.651 -2.251 -4.593 1.00 0.00 C ATOM 1043 O ILE A 75 -3.233 -3.353 -4.948 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.690 -1.712 -3.258 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.307 -1.718 -1.858 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.399 -2.711 -4.160 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.295 -3.080 -1.198 1.00 0.00 C ATOM 0 H ILE A 75 -4.025 -0.198 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.047 -2.945 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.813 -0.716 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.765 -1.013 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.336 -1.363 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.461 -2.471 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.973 -2.662 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.271 -3.717 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.748 -3.009 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.862 -3.784 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.267 -3.429 -1.102 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.666 -1.191 -5.394 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.180 -1.264 -6.768 1.00 0.00 C ATOM 1060 C LYS A 76 -1.804 -1.920 -6.823 1.00 0.00 C ATOM 1061 O LYS A 76 -1.506 -2.681 -7.744 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.114 0.136 -7.381 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.191 0.139 -8.898 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.385 1.282 -9.494 1.00 0.00 C ATOM 1065 CE LYS A 76 -2.981 1.756 -10.811 1.00 0.00 C ATOM 1066 NZ LYS A 76 -2.740 3.208 -11.038 1.00 0.00 N ATOM 0 H LYS A 76 -4.009 -0.271 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.877 -1.873 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.931 0.737 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.185 0.616 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.819 -0.810 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.232 0.224 -9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.352 2.112 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.356 0.959 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.549 1.183 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.053 1.561 -10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.161 3.492 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.174 3.756 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.716 3.391 -11.059 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.970 -1.622 -5.833 1.00 0.00 N ATOM 1077 CA ILE A 77 0.373 -2.185 -5.769 1.00 0.00 C ATOM 1078 C ILE A 77 0.331 -3.667 -5.413 1.00 0.00 C ATOM 1079 O ILE A 77 1.127 -4.461 -5.918 1.00 0.00 O ATOM 1080 CB ILE A 77 1.245 -1.446 -4.738 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.461 0.007 -5.167 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.579 -2.157 -4.566 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.839 0.924 -4.026 1.00 0.00 C ATOM 0 H ILE A 77 -1.201 -0.993 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 77 0.813 -2.063 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 77 0.728 -1.448 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.244 0.041 -5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.549 0.379 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.184 -1.623 -3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.406 -3.176 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.103 -2.183 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.976 1.937 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.046 0.920 -3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.768 0.577 -3.573 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.604 -4.035 -4.544 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.751 -5.423 -4.121 1.00 0.00 C ATOM 1096 C PHE A 78 -1.169 -6.307 -5.292 1.00 0.00 C ATOM 1097 O PHE A 78 -0.755 -7.463 -5.391 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.781 -5.529 -2.994 1.00 0.00 C ATOM 1099 CG PHE A 78 -2.122 -6.944 -2.625 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.238 -7.564 -3.163 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -1.327 -7.653 -1.739 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.555 -8.868 -2.826 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -1.638 -8.956 -1.398 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.754 -9.563 -1.941 1.00 0.00 C ATOM 0 H PHE A 78 -1.271 -3.392 -4.119 1.00 0.00 H new ATOM 0 HA PHE A 78 0.215 -5.769 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.398 -5.014 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.692 -5.011 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.868 -7.023 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.455 -7.182 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.426 -9.341 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.009 -9.499 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.000 -10.580 -1.674 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.993 -5.756 -6.178 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.469 -6.493 -7.342 1.00 0.00 C ATOM 1115 C HIS A 79 -1.441 -6.448 -8.469 1.00 0.00 C ATOM 1116 O HIS A 79 -1.293 -7.407 -9.226 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.800 -5.919 -7.828 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.956 -6.856 -7.652 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.358 -7.746 -8.626 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.796 -7.039 -6.607 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.396 -8.435 -8.188 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.681 -8.026 -6.965 1.00 0.00 N ATOM 0 H HIS A 79 -2.345 -4.801 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.617 -7.532 -7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.007 -4.995 -7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.711 -5.659 -8.883 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.774 -6.508 -5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.922 -9.202 -8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.436 -8.385 -6.381 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.734 -5.328 -8.576 1.00 0.00 N ATOM 1130 CA GLY A 80 0.270 -5.179 -9.614 1.00 0.00 C ATOM 1131 C GLY A 80 -0.338 -5.104 -11.000 1.00 0.00 C ATOM 1132 O GLY A 80 0.037 -5.868 -11.892 1.00 0.00 O ATOM 0 H GLY A 80 -0.838 -4.520 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.852 -4.276 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.963 -6.020 -9.569 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.279 -4.185 -11.184 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.940 -4.014 -12.472 1.00 0.00 C ATOM 1138 C LEU A 81 -2.145 -2.536 -12.788 1.00 0.00 C ATOM 1139 O LEU A 81 -2.734 -1.797 -11.998 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.287 -4.739 -12.477 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.231 -6.259 -12.629 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.314 -6.921 -11.791 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.370 -6.654 -14.093 1.00 0.00 C ATOM 0 H LEU A 81 -1.601 -3.547 -10.457 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.299 -4.445 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.806 -4.506 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.891 -4.335 -13.289 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.262 -6.605 -12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.258 -8.003 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.169 -6.666 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.293 -6.570 -12.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.328 -7.740 -14.183 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.325 -6.295 -14.478 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.557 -6.211 -14.668 1.00 0.00 H new ATOM 1154 N LYS A 82 -1.657 -2.110 -13.949 1.00 0.00 N ATOM 1155 CA LYS A 82 -1.789 -0.721 -14.371 1.00 0.00 C ATOM 1156 C LYS A 82 -3.256 -0.312 -14.445 1.00 0.00 C ATOM 1157 O LYS A 82 -4.128 -1.136 -14.723 1.00 0.00 O ATOM 1158 CB LYS A 82 -1.122 -0.516 -15.734 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.668 -1.425 -16.822 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.507 -0.805 -18.199 1.00 0.00 C ATOM 1161 CE LYS A 82 -0.221 -1.263 -18.870 1.00 0.00 C ATOM 1162 NZ LYS A 82 0.980 -0.914 -18.062 1.00 0.00 N ATOM 0 H LYS A 82 -1.166 -2.708 -14.614 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.292 -0.093 -13.631 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.252 0.522 -16.040 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.050 -0.687 -15.634 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.150 -2.383 -16.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.723 -1.627 -16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.360 -1.074 -18.822 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.506 0.282 -18.112 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.255 -2.342 -19.023 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.142 -0.804 -19.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.829 -0.973 -18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.882 0.054 -17.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.069 -1.579 -17.267 1.00 0.00 H new TER 1172 LYS A 82