USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 43 ASN : amide:sc= -2.15! C(o=-2.7!,f=-12!) USER MOD Set 1.2: A 58 THR OG1 : rot -6:sc= -0.515 USER MOD Set 2.1: A 39 THR OG1 : rot 9:sc= 0.14 USER MOD Set 2.2: A 53 GLN :FLIP amide:sc= 0.197 F(o=-1.1,f=0.34) USER MOD Set 3.1: A 23 CYS SG : rot 117:sc= 1.21 USER MOD Set 3.2: A 99 ASN : amide:sc= 0.892 K(o=2.1,f=-6.3!) USER MOD Set 4.1: A 1 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Set 4.2: A 2 SER OG : rot -85:sc= -0.272 USER MOD Set 4.3: A 93 ASN :FLIP amide:sc= 0.914 F(o=-4.2,f=-2.3) USER MOD Set 4.4: A 95 ASN :FLIP amide:sc= -2.9! C(o=-4.8!,f=-2.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 7 SER OG : rot -176:sc= -4.33! USER MOD Single : A 9 ASN : amide:sc= 1.06 K(o=1.1,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0315 X(o=0.032,f=-0.0063) USER MOD Single : A 18 THR OG1 : rot -99:sc= 1.24 USER MOD Single : A 25 ASN : amide:sc= 0.549 K(o=0.55,f=-9.3!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -89:sc= 1.25 USER MOD Single : A 33 SER OG : rot 70:sc= 0.239 USER MOD Single : A 44 ASN :FLIP amide:sc=-0.00065 F(o=-0.86,f=-0.00065) USER MOD Single : A 47 HIS : no HE2:sc= 0.127 K(o=0.13,f=-1.7) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0825 F(o=-1.6!,f=-0.082) USER MOD Single : A 54 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 90:sc= 0.0192 USER MOD Single : A 65 HIS : no HE2:sc= -2.79! C(o=-2.8!,f=-7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.995 X(o=-1,f=-0.78) USER MOD Single : A 83 CYS SG : rot 11:sc= 0.744 USER MOD Single : A 84 ASN :FLIP amide:sc=-0.00607 F(o=-1.6!,f=-0.0061) USER MOD Single : A 88 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5.3!) USER MOD Single : A 98 GLN : amide:sc= 1.04 K(o=1,f=-0.82) USER MOD Single : A 101 ASN : amide:sc= -0.31 K(o=-0.31,f=-6.3!) USER MOD Single : A 107 GLN : amide:sc= 0.441 K(o=0.44,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.299 12.257 -9.250 1.00 0.00 N ATOM 2 CA MET A 1 -1.218 11.929 -8.294 1.00 0.00 C ATOM 3 C MET A 1 -1.358 10.493 -7.800 1.00 0.00 C ATOM 4 O MET A 1 -0.703 9.586 -8.314 1.00 0.00 O ATOM 5 CB MET A 1 -1.231 12.907 -7.106 1.00 0.00 C ATOM 6 CG MET A 1 -0.259 12.546 -5.987 1.00 0.00 C ATOM 7 SD MET A 1 1.452 12.424 -6.541 1.00 0.00 S ATOM 8 CE MET A 1 2.261 11.943 -5.015 1.00 0.00 C ATOM 0 H1 MET A 1 -2.188 13.238 -9.576 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.248 11.613 -10.065 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.221 12.150 -8.781 1.00 0.00 H new ATOM 0 HA MET A 1 -0.263 12.026 -8.811 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.993 13.906 -7.470 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.240 12.949 -6.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.326 13.297 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.560 11.595 -5.546 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.226 11.489 -5.242 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.412 12.823 -4.390 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.638 11.224 -4.484 1.00 0.00 H new ATOM 18 N SER A 2 -2.228 10.284 -6.821 1.00 0.00 N ATOM 19 CA SER A 2 -2.446 8.964 -6.246 1.00 0.00 C ATOM 20 C SER A 2 -3.767 8.942 -5.500 1.00 0.00 C ATOM 21 O SER A 2 -4.448 9.965 -5.421 1.00 0.00 O ATOM 22 CB SER A 2 -1.329 8.611 -5.257 1.00 0.00 C ATOM 23 OG SER A 2 -0.053 8.955 -5.763 1.00 0.00 O ATOM 0 H SER A 2 -2.799 11.020 -6.405 1.00 0.00 H new ATOM 0 HA SER A 2 -2.454 8.238 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.499 9.132 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.359 7.543 -5.041 1.00 0.00 H new ATOM 0 HG SER A 2 0.283 8.227 -6.326 1.00 0.00 H new ATOM 29 N TYR A 3 -4.124 7.797 -4.943 1.00 0.00 N ATOM 30 CA TYR A 3 -5.351 7.690 -4.171 1.00 0.00 C ATOM 31 C TYR A 3 -5.256 8.607 -2.949 1.00 0.00 C ATOM 32 O TYR A 3 -6.236 9.231 -2.541 1.00 0.00 O ATOM 33 CB TYR A 3 -5.579 6.236 -3.734 1.00 0.00 C ATOM 34 CG TYR A 3 -4.713 5.789 -2.573 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.359 5.525 -2.740 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.254 5.648 -1.301 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.572 5.131 -1.676 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.475 5.256 -0.232 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.134 4.999 -0.424 1.00 0.00 C ATOM 40 OH TYR A 3 -2.351 4.609 0.638 1.00 0.00 O ATOM 0 H TYR A 3 -3.586 6.933 -5.010 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.197 7.996 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.626 6.112 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.393 5.580 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.915 5.630 -3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.304 5.849 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.522 4.927 -1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.913 5.151 0.750 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.899 4.565 1.450 1.00 0.00 H new ATOM 50 N ALA A 4 -4.036 8.709 -2.416 1.00 0.00 N ATOM 51 CA ALA A 4 -3.736 9.529 -1.241 1.00 0.00 C ATOM 52 C ALA A 4 -4.101 10.994 -1.437 1.00 0.00 C ATOM 53 O ALA A 4 -4.256 11.733 -0.464 1.00 0.00 O ATOM 54 CB ALA A 4 -2.266 9.402 -0.882 1.00 0.00 C ATOM 0 H ALA A 4 -3.223 8.221 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.352 9.154 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.051 10.015 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.034 8.360 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.656 9.740 -1.720 1.00 0.00 H new ATOM 60 N ASP A 5 -4.243 11.413 -2.690 1.00 0.00 N ATOM 61 CA ASP A 5 -4.604 12.792 -2.997 1.00 0.00 C ATOM 62 C ASP A 5 -6.003 13.094 -2.465 1.00 0.00 C ATOM 63 O ASP A 5 -6.347 14.242 -2.185 1.00 0.00 O ATOM 64 CB ASP A 5 -4.544 13.037 -4.511 1.00 0.00 C ATOM 65 CG ASP A 5 -4.767 14.491 -4.878 1.00 0.00 C ATOM 66 OD1 ASP A 5 -3.801 15.279 -4.806 1.00 0.00 O ATOM 67 OD2 ASP A 5 -5.906 14.856 -5.239 1.00 0.00 O ATOM 0 H ASP A 5 -4.114 10.818 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.891 13.459 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.573 12.716 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.297 12.422 -5.004 1.00 0.00 H new ATOM 72 N SER A 6 -6.800 12.044 -2.311 1.00 0.00 N ATOM 73 CA SER A 6 -8.154 12.177 -1.807 1.00 0.00 C ATOM 74 C SER A 6 -8.507 11.004 -0.886 1.00 0.00 C ATOM 75 O SER A 6 -9.644 10.528 -0.879 1.00 0.00 O ATOM 76 CB SER A 6 -9.140 12.248 -2.976 1.00 0.00 C ATOM 77 OG SER A 6 -8.812 13.309 -3.860 1.00 0.00 O ATOM 0 H SER A 6 -6.526 11.086 -2.531 1.00 0.00 H new ATOM 0 HA SER A 6 -8.221 13.098 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.133 11.303 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.151 12.389 -2.594 1.00 0.00 H new ATOM 0 HG SER A 6 -9.229 13.149 -4.732 1.00 0.00 H new ATOM 83 N SER A 7 -7.534 10.543 -0.102 1.00 0.00 N ATOM 84 CA SER A 7 -7.757 9.427 0.809 1.00 0.00 C ATOM 85 C SER A 7 -7.368 9.808 2.232 1.00 0.00 C ATOM 86 O SER A 7 -6.507 10.663 2.437 1.00 0.00 O ATOM 87 CB SER A 7 -6.948 8.206 0.366 1.00 0.00 C ATOM 88 OG SER A 7 -5.568 8.390 0.614 1.00 0.00 O ATOM 0 H SER A 7 -6.588 10.925 -0.081 1.00 0.00 H new ATOM 0 HA SER A 7 -8.819 9.180 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.301 7.321 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.108 8.026 -0.697 1.00 0.00 H new ATOM 0 HG SER A 7 -5.068 7.621 0.270 1.00 0.00 H new ATOM 94 N ARG A 8 -7.988 9.160 3.205 1.00 0.00 N ATOM 95 CA ARG A 8 -7.703 9.420 4.606 1.00 0.00 C ATOM 96 C ARG A 8 -7.922 8.148 5.406 1.00 0.00 C ATOM 97 O ARG A 8 -8.426 7.158 4.868 1.00 0.00 O ATOM 98 CB ARG A 8 -8.594 10.542 5.151 1.00 0.00 C ATOM 99 CG ARG A 8 -10.043 10.136 5.354 1.00 0.00 C ATOM 100 CD ARG A 8 -10.990 11.135 4.718 1.00 0.00 C ATOM 101 NE ARG A 8 -10.867 11.138 3.262 1.00 0.00 N ATOM 102 CZ ARG A 8 -10.722 12.245 2.525 1.00 0.00 C ATOM 103 NH1 ARG A 8 -10.626 13.431 3.110 1.00 0.00 N ATOM 104 NH2 ARG A 8 -10.660 12.160 1.203 1.00 0.00 N ATOM 0 H ARG A 8 -8.698 8.444 3.048 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.665 9.740 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.187 10.886 6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.557 11.388 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.210 9.149 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.255 10.059 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.016 10.894 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.781 12.133 5.104 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.893 10.241 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.663 13.503 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.516 14.272 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.723 11.250 0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.549 13.005 0.642 1.00 0.00 H new ATOM 118 N ASN A 9 -7.540 8.181 6.678 1.00 0.00 N ATOM 119 CA ASN A 9 -7.686 7.036 7.578 1.00 0.00 C ATOM 120 C ASN A 9 -7.012 5.797 6.999 1.00 0.00 C ATOM 121 O ASN A 9 -7.442 4.664 7.231 1.00 0.00 O ATOM 122 CB ASN A 9 -9.164 6.767 7.871 1.00 0.00 C ATOM 123 CG ASN A 9 -9.763 7.808 8.801 1.00 0.00 C ATOM 124 OD1 ASN A 9 -9.074 8.356 9.660 1.00 0.00 O ATOM 125 ND2 ASN A 9 -11.044 8.091 8.638 1.00 0.00 N ATOM 0 H ASN A 9 -7.120 9.001 7.117 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.190 7.277 8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.722 6.755 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.270 5.779 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.493 8.785 9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.583 7.616 7.914 1.00 0.00 H new ATOM 132 N ALA A 10 -5.951 6.030 6.239 1.00 0.00 N ATOM 133 CA ALA A 10 -5.197 4.960 5.614 1.00 0.00 C ATOM 134 C ALA A 10 -4.355 4.218 6.646 1.00 0.00 C ATOM 135 O ALA A 10 -3.436 4.784 7.239 1.00 0.00 O ATOM 136 CB ALA A 10 -4.340 5.519 4.491 1.00 0.00 C ATOM 0 H ALA A 10 -5.592 6.964 6.041 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.892 4.239 5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.777 4.710 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.980 5.991 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.648 6.258 4.895 1.00 0.00 H new ATOM 142 N VAL A 11 -4.686 2.951 6.861 1.00 0.00 N ATOM 143 CA VAL A 11 -3.995 2.111 7.835 1.00 0.00 C ATOM 144 C VAL A 11 -3.910 0.681 7.306 1.00 0.00 C ATOM 145 O VAL A 11 -4.782 0.243 6.550 1.00 0.00 O ATOM 146 CB VAL A 11 -4.740 2.094 9.200 1.00 0.00 C ATOM 147 CG1 VAL A 11 -3.933 1.352 10.253 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.060 3.500 9.679 1.00 0.00 C ATOM 0 H VAL A 11 -5.441 2.476 6.366 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.998 2.525 7.986 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.681 1.566 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.477 1.355 11.198 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.772 0.323 9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.970 1.845 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.580 3.449 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.134 4.063 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.695 3.998 8.947 1.00 0.00 H new ATOM 158 N LEU A 12 -2.860 -0.038 7.688 1.00 0.00 N ATOM 159 CA LEU A 12 -2.689 -1.417 7.254 1.00 0.00 C ATOM 160 C LEU A 12 -3.444 -2.370 8.176 1.00 0.00 C ATOM 161 O LEU A 12 -3.447 -2.199 9.395 1.00 0.00 O ATOM 162 CB LEU A 12 -1.208 -1.794 7.204 1.00 0.00 C ATOM 163 CG LEU A 12 -0.686 -2.161 5.814 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.143 -1.145 4.777 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.830 -2.249 5.832 1.00 0.00 C ATOM 0 H LEU A 12 -2.118 0.311 8.295 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.101 -1.505 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.622 -0.959 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.039 -2.637 7.874 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.094 -3.134 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.759 -1.428 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.232 -1.121 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.765 -0.158 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.191 -2.511 4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.247 -1.286 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.142 -3.013 6.544 1.00 0.00 H new ATOM 177 N THR A 13 -4.079 -3.363 7.578 1.00 0.00 N ATOM 178 CA THR A 13 -4.850 -4.350 8.306 1.00 0.00 C ATOM 179 C THR A 13 -4.286 -5.739 8.028 1.00 0.00 C ATOM 180 O THR A 13 -3.461 -5.899 7.118 1.00 0.00 O ATOM 181 CB THR A 13 -6.332 -4.301 7.869 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.776 -2.938 7.773 1.00 0.00 O ATOM 183 CG2 THR A 13 -7.220 -5.045 8.853 1.00 0.00 C ATOM 0 H THR A 13 -4.073 -3.506 6.568 1.00 0.00 H new ATOM 0 HA THR A 13 -4.788 -4.132 9.372 1.00 0.00 H new ATOM 0 HB THR A 13 -6.406 -4.784 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.715 -2.919 7.494 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.256 -4.993 8.519 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.908 -6.088 8.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.133 -4.588 9.839 1.00 0.00 H new ATOM 191 N ASN A 14 -4.683 -6.720 8.840 1.00 0.00 N ATOM 192 CA ASN A 14 -4.258 -8.109 8.668 1.00 0.00 C ATOM 193 C ASN A 14 -2.777 -8.280 8.989 1.00 0.00 C ATOM 194 O ASN A 14 -2.202 -9.343 8.765 1.00 0.00 O ATOM 195 CB ASN A 14 -4.542 -8.559 7.236 1.00 0.00 C ATOM 196 CG ASN A 14 -5.017 -10.007 7.136 1.00 0.00 C ATOM 197 OD1 ASN A 14 -5.852 -10.337 6.294 1.00 0.00 O ATOM 198 ND2 ASN A 14 -4.475 -10.887 7.971 1.00 0.00 N ATOM 0 H ASN A 14 -5.307 -6.574 9.634 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.823 -8.729 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.299 -7.906 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.637 -8.440 6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.748 -11.869 7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.785 -10.581 8.657 1.00 0.00 H new ATOM 205 N GLY A 15 -2.166 -7.234 9.518 1.00 0.00 N ATOM 206 CA GLY A 15 -0.758 -7.287 9.850 1.00 0.00 C ATOM 207 C GLY A 15 0.104 -6.811 8.706 1.00 0.00 C ATOM 208 O GLY A 15 1.275 -7.176 8.605 1.00 0.00 O ATOM 0 H GLY A 15 -2.621 -6.345 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.568 -6.671 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.484 -8.309 10.111 1.00 0.00 H new ATOM 212 N GLY A 16 -0.480 -5.997 7.839 1.00 0.00 N ATOM 213 CA GLY A 16 0.254 -5.482 6.704 1.00 0.00 C ATOM 214 C GLY A 16 -0.088 -6.213 5.429 1.00 0.00 C ATOM 215 O GLY A 16 0.688 -6.218 4.480 1.00 0.00 O ATOM 0 H GLY A 16 -1.449 -5.685 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.036 -4.421 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.324 -5.568 6.895 1.00 0.00 H new ATOM 219 N ARG A 17 -1.265 -6.821 5.400 1.00 0.00 N ATOM 220 CA ARG A 17 -1.699 -7.573 4.235 1.00 0.00 C ATOM 221 C ARG A 17 -2.833 -6.850 3.526 1.00 0.00 C ATOM 222 O ARG A 17 -3.139 -7.144 2.375 1.00 0.00 O ATOM 223 CB ARG A 17 -2.156 -8.978 4.641 1.00 0.00 C ATOM 224 CG ARG A 17 -1.341 -9.585 5.772 1.00 0.00 C ATOM 225 CD ARG A 17 -1.594 -11.078 5.907 1.00 0.00 C ATOM 226 NE ARG A 17 -1.300 -11.818 4.673 1.00 0.00 N ATOM 227 CZ ARG A 17 -1.507 -13.127 4.525 1.00 0.00 C ATOM 228 NH1 ARG A 17 -1.873 -13.868 5.568 1.00 0.00 N ATOM 229 NH2 ARG A 17 -1.321 -13.699 3.339 1.00 0.00 N ATOM 0 H ARG A 17 -1.935 -6.808 6.169 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.853 -7.659 3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.203 -8.937 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.099 -9.634 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.280 -9.410 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.591 -9.087 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.982 -11.474 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.635 -11.242 6.184 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.915 -11.300 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.996 -13.435 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.031 -14.869 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.020 -13.137 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.479 -14.700 3.225 1.00 0.00 H new ATOM 243 N THR A 18 -3.438 -5.894 4.210 1.00 0.00 N ATOM 244 CA THR A 18 -4.548 -5.148 3.645 1.00 0.00 C ATOM 245 C THR A 18 -4.349 -3.643 3.797 1.00 0.00 C ATOM 246 O THR A 18 -4.081 -3.150 4.888 1.00 0.00 O ATOM 247 CB THR A 18 -5.870 -5.541 4.331 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.038 -6.963 4.290 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.058 -4.862 3.662 1.00 0.00 C ATOM 0 H THR A 18 -3.179 -5.617 5.157 1.00 0.00 H new ATOM 0 HA THR A 18 -4.590 -5.395 2.584 1.00 0.00 H new ATOM 0 HB THR A 18 -5.826 -5.210 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.641 -7.200 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.978 -5.158 4.167 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.941 -3.780 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.106 -5.162 2.615 1.00 0.00 H new ATOM 257 N LEU A 19 -4.453 -2.930 2.696 1.00 0.00 N ATOM 258 CA LEU A 19 -4.331 -1.486 2.700 1.00 0.00 C ATOM 259 C LEU A 19 -5.719 -0.862 2.724 1.00 0.00 C ATOM 260 O LEU A 19 -6.448 -0.904 1.730 1.00 0.00 O ATOM 261 CB LEU A 19 -3.564 -1.021 1.468 1.00 0.00 C ATOM 262 CG LEU A 19 -3.492 0.491 1.270 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.775 1.159 2.434 1.00 0.00 C ATOM 264 CD2 LEU A 19 -2.798 0.805 -0.040 1.00 0.00 C ATOM 0 H LEU A 19 -4.624 -3.333 1.775 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.781 -1.172 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.548 -1.411 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.026 -1.464 0.586 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.507 0.887 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.737 2.236 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.313 0.953 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.760 0.768 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.749 1.885 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.788 0.395 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.357 0.360 -0.863 1.00 0.00 H new ATOM 276 N ARG A 20 -6.092 -0.310 3.862 1.00 0.00 N ATOM 277 CA ARG A 20 -7.396 0.307 4.014 1.00 0.00 C ATOM 278 C ARG A 20 -7.264 1.825 3.989 1.00 0.00 C ATOM 279 O ARG A 20 -6.513 2.401 4.776 1.00 0.00 O ATOM 280 CB ARG A 20 -8.023 -0.152 5.333 1.00 0.00 C ATOM 281 CG ARG A 20 -9.539 -0.040 5.392 1.00 0.00 C ATOM 282 CD ARG A 20 -10.032 1.400 5.352 1.00 0.00 C ATOM 283 NE ARG A 20 -9.431 2.224 6.403 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.865 2.260 7.663 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.884 1.497 8.042 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.270 3.061 8.539 1.00 0.00 N ATOM 0 H ARG A 20 -5.508 -0.276 4.698 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.039 0.005 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.742 -1.190 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.597 0.437 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.971 -0.589 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.898 -0.516 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.802 1.833 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.117 1.413 5.459 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.631 2.806 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.338 0.880 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.213 1.528 9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.486 3.644 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.597 3.093 9.505 1.00 0.00 H new ATOM 300 N ALA A 21 -8.004 2.467 3.098 1.00 0.00 N ATOM 301 CA ALA A 21 -7.976 3.914 2.976 1.00 0.00 C ATOM 302 C ALA A 21 -9.321 4.431 2.492 1.00 0.00 C ATOM 303 O ALA A 21 -9.941 3.840 1.612 1.00 0.00 O ATOM 304 CB ALA A 21 -6.874 4.344 2.025 1.00 0.00 C ATOM 0 H ALA A 21 -8.635 2.003 2.445 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.773 4.340 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.866 5.431 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.911 4.002 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.052 3.909 1.042 1.00 0.00 H new ATOM 310 N GLU A 22 -9.782 5.522 3.077 1.00 0.00 N ATOM 311 CA GLU A 22 -11.053 6.095 2.681 1.00 0.00 C ATOM 312 C GLU A 22 -10.804 7.182 1.652 1.00 0.00 C ATOM 313 O GLU A 22 -10.292 8.253 1.975 1.00 0.00 O ATOM 314 CB GLU A 22 -11.788 6.656 3.896 1.00 0.00 C ATOM 315 CG GLU A 22 -11.662 5.769 5.122 1.00 0.00 C ATOM 316 CD GLU A 22 -12.746 6.025 6.142 1.00 0.00 C ATOM 317 OE1 GLU A 22 -12.678 7.050 6.844 1.00 0.00 O ATOM 318 OE2 GLU A 22 -13.670 5.197 6.249 1.00 0.00 O ATOM 0 H GLU A 22 -9.299 6.025 3.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.682 5.321 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.395 7.646 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.843 6.781 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.698 4.724 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.688 5.932 5.584 1.00 0.00 H new ATOM 325 N CYS A 23 -11.178 6.908 0.420 1.00 0.00 N ATOM 326 CA CYS A 23 -10.963 7.836 -0.668 1.00 0.00 C ATOM 327 C CYS A 23 -12.277 8.345 -1.230 1.00 0.00 C ATOM 328 O CYS A 23 -13.257 7.613 -1.313 1.00 0.00 O ATOM 329 CB CYS A 23 -10.159 7.143 -1.763 1.00 0.00 C ATOM 330 SG CYS A 23 -10.760 5.489 -2.164 1.00 0.00 S ATOM 0 H CYS A 23 -11.638 6.040 0.146 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.412 8.696 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.182 7.757 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.117 7.076 -1.450 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.176 5.465 -3.395 1.00 0.00 H new ATOM 336 N ARG A 24 -12.293 9.611 -1.604 1.00 0.00 N ATOM 337 CA ARG A 24 -13.479 10.215 -2.171 1.00 0.00 C ATOM 338 C ARG A 24 -13.655 9.740 -3.613 1.00 0.00 C ATOM 339 O ARG A 24 -12.682 9.576 -4.353 1.00 0.00 O ATOM 340 CB ARG A 24 -13.396 11.751 -2.056 1.00 0.00 C ATOM 341 CG ARG A 24 -13.745 12.516 -3.324 1.00 0.00 C ATOM 342 CD ARG A 24 -12.566 12.601 -4.281 1.00 0.00 C ATOM 343 NE ARG A 24 -13.013 12.804 -5.656 1.00 0.00 N ATOM 344 CZ ARG A 24 -12.388 13.576 -6.545 1.00 0.00 C ATOM 345 NH1 ARG A 24 -11.281 14.226 -6.210 1.00 0.00 N ATOM 346 NH2 ARG A 24 -12.871 13.701 -7.774 1.00 0.00 N ATOM 0 H ARG A 24 -11.494 10.240 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.363 9.903 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.065 12.076 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.384 12.022 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.582 12.028 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.072 13.522 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.912 13.421 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.978 11.686 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.861 12.323 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.903 14.137 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.808 14.815 -6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.722 13.206 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.391 14.292 -8.453 1.00 0.00 H new ATOM 360 N ASN A 25 -14.897 9.513 -3.999 1.00 0.00 N ATOM 361 CA ASN A 25 -15.207 9.033 -5.337 1.00 0.00 C ATOM 362 C ASN A 25 -15.381 10.186 -6.309 1.00 0.00 C ATOM 363 O ASN A 25 -15.238 11.344 -5.926 1.00 0.00 O ATOM 364 CB ASN A 25 -16.468 8.167 -5.308 1.00 0.00 C ATOM 365 CG ASN A 25 -17.756 8.954 -5.120 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.756 10.057 -4.582 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.869 8.376 -5.550 1.00 0.00 N ATOM 0 H ASN A 25 -15.713 9.654 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.368 8.428 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.531 7.604 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.378 7.439 -4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.766 8.849 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.829 7.458 -5.993 1.00 0.00 H new ATOM 374 N ALA A 26 -15.691 9.876 -7.557 1.00 0.00 N ATOM 375 CA ALA A 26 -15.887 10.906 -8.575 1.00 0.00 C ATOM 376 C ALA A 26 -16.954 11.919 -8.157 1.00 0.00 C ATOM 377 O ALA A 26 -16.874 13.099 -8.499 1.00 0.00 O ATOM 378 CB ALA A 26 -16.256 10.262 -9.900 1.00 0.00 C ATOM 0 H ALA A 26 -15.813 8.921 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.949 11.449 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.400 11.036 -10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.455 9.594 -10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.178 9.693 -9.784 1.00 0.00 H new ATOM 384 N ASP A 27 -17.933 11.459 -7.386 1.00 0.00 N ATOM 385 CA ASP A 27 -19.021 12.322 -6.927 1.00 0.00 C ATOM 386 C ASP A 27 -18.551 13.288 -5.845 1.00 0.00 C ATOM 387 O ASP A 27 -19.138 14.349 -5.645 1.00 0.00 O ATOM 388 CB ASP A 27 -20.170 11.475 -6.387 1.00 0.00 C ATOM 389 CG ASP A 27 -21.421 12.290 -6.136 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.994 12.816 -7.114 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.848 12.395 -4.968 1.00 0.00 O ATOM 0 H ASP A 27 -17.998 10.493 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.362 12.905 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.395 10.679 -7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.859 10.996 -5.458 1.00 0.00 H new ATOM 396 N GLY A 28 -17.486 12.922 -5.153 1.00 0.00 N ATOM 397 CA GLY A 28 -16.967 13.768 -4.098 1.00 0.00 C ATOM 398 C GLY A 28 -17.314 13.235 -2.725 1.00 0.00 C ATOM 399 O GLY A 28 -17.105 13.907 -1.718 1.00 0.00 O ATOM 0 H GLY A 28 -16.970 12.055 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.884 13.845 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.370 14.775 -4.209 1.00 0.00 H new ATOM 403 N ASN A 29 -17.842 12.023 -2.694 1.00 0.00 N ATOM 404 CA ASN A 29 -18.227 11.381 -1.445 1.00 0.00 C ATOM 405 C ASN A 29 -17.107 10.468 -0.966 1.00 0.00 C ATOM 406 O ASN A 29 -16.419 9.852 -1.775 1.00 0.00 O ATOM 407 CB ASN A 29 -19.493 10.555 -1.651 1.00 0.00 C ATOM 408 CG ASN A 29 -20.330 10.443 -0.394 1.00 0.00 C ATOM 409 OD1 ASN A 29 -20.120 9.555 0.430 1.00 0.00 O ATOM 410 ND2 ASN A 29 -21.295 11.337 -0.251 1.00 0.00 N ATOM 0 H ASN A 29 -18.016 11.459 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.415 12.152 -0.698 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.092 11.007 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.219 9.556 -1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.901 11.307 0.569 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.433 12.057 -0.961 1.00 0.00 H new ATOM 417 N TRP A 30 -16.927 10.386 0.341 1.00 0.00 N ATOM 418 CA TRP A 30 -15.883 9.548 0.920 1.00 0.00 C ATOM 419 C TRP A 30 -16.279 8.077 0.880 1.00 0.00 C ATOM 420 O TRP A 30 -17.321 7.688 1.406 1.00 0.00 O ATOM 421 CB TRP A 30 -15.579 9.972 2.357 1.00 0.00 C ATOM 422 CG TRP A 30 -14.935 11.323 2.459 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.402 12.055 1.438 1.00 0.00 C ATOM 424 CD2 TRP A 30 -14.743 12.094 3.649 1.00 0.00 C ATOM 425 NE1 TRP A 30 -13.894 13.234 1.921 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.091 13.282 3.275 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.059 11.897 4.997 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -13.749 14.268 4.196 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -14.719 12.877 5.910 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.069 14.049 5.506 1.00 0.00 C ATOM 0 H TRP A 30 -17.490 10.890 1.026 1.00 0.00 H new ATOM 0 HA TRP A 30 -14.982 9.680 0.321 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -16.506 9.976 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -14.924 9.231 2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.383 11.751 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.443 13.958 1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.560 10.996 5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.249 15.174 3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -14.959 12.736 6.954 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -13.815 14.795 6.245 1.00 0.00 H new ATOM 441 N VAL A 31 -15.438 7.273 0.247 1.00 0.00 N ATOM 442 CA VAL A 31 -15.679 5.846 0.116 1.00 0.00 C ATOM 443 C VAL A 31 -14.558 5.055 0.775 1.00 0.00 C ATOM 444 O VAL A 31 -13.386 5.238 0.450 1.00 0.00 O ATOM 445 CB VAL A 31 -15.757 5.427 -1.368 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.355 4.035 -1.508 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.538 6.445 -2.182 1.00 0.00 C ATOM 0 H VAL A 31 -14.572 7.591 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.630 5.633 0.605 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.742 5.396 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.399 3.762 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.734 3.317 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.361 4.027 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.577 6.125 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.551 6.525 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.046 7.416 -2.119 1.00 0.00 H new ATOM 457 N THR A 32 -14.907 4.186 1.703 1.00 0.00 N ATOM 458 CA THR A 32 -13.913 3.374 2.372 1.00 0.00 C ATOM 459 C THR A 32 -13.496 2.222 1.459 1.00 0.00 C ATOM 460 O THR A 32 -14.266 1.287 1.240 1.00 0.00 O ATOM 461 CB THR A 32 -14.456 2.821 3.698 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.055 3.885 4.456 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.336 2.185 4.504 1.00 0.00 C ATOM 0 H THR A 32 -15.867 4.025 2.009 1.00 0.00 H new ATOM 0 HA THR A 32 -13.047 3.998 2.594 1.00 0.00 H new ATOM 0 HB THR A 32 -15.207 2.061 3.481 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.374 4.310 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.737 1.798 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.895 1.368 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.572 2.932 4.717 1.00 0.00 H new ATOM 471 N SER A 33 -12.287 2.297 0.920 1.00 0.00 N ATOM 472 CA SER A 33 -11.798 1.266 0.019 1.00 0.00 C ATOM 473 C SER A 33 -10.681 0.474 0.673 1.00 0.00 C ATOM 474 O SER A 33 -9.935 0.989 1.513 1.00 0.00 O ATOM 475 CB SER A 33 -11.298 1.886 -1.289 1.00 0.00 C ATOM 476 OG SER A 33 -11.068 0.892 -2.275 1.00 0.00 O ATOM 0 H SER A 33 -11.630 3.058 1.091 1.00 0.00 H new ATOM 0 HA SER A 33 -12.625 0.592 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.031 2.604 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.376 2.438 -1.104 1.00 0.00 H new ATOM 0 HG SER A 33 -11.925 0.521 -2.571 1.00 0.00 H new ATOM 482 N GLU A 34 -10.581 -0.786 0.295 1.00 0.00 N ATOM 483 CA GLU A 34 -9.564 -1.665 0.832 1.00 0.00 C ATOM 484 C GLU A 34 -8.918 -2.473 -0.284 1.00 0.00 C ATOM 485 O GLU A 34 -9.608 -3.063 -1.119 1.00 0.00 O ATOM 486 CB GLU A 34 -10.169 -2.623 1.860 1.00 0.00 C ATOM 487 CG GLU A 34 -11.257 -1.991 2.708 1.00 0.00 C ATOM 488 CD GLU A 34 -11.691 -2.875 3.853 1.00 0.00 C ATOM 489 OE1 GLU A 34 -12.323 -3.919 3.593 1.00 0.00 O ATOM 490 OE2 GLU A 34 -11.427 -2.522 5.020 1.00 0.00 O ATOM 0 H GLU A 34 -11.198 -1.225 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.808 -1.048 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.581 -3.488 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.377 -2.990 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.898 -1.041 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.119 -1.769 2.079 1.00 0.00 H new ATOM 497 N LEU A 35 -7.598 -2.493 -0.296 1.00 0.00 N ATOM 498 CA LEU A 35 -6.854 -3.250 -1.285 1.00 0.00 C ATOM 499 C LEU A 35 -5.862 -4.134 -0.565 1.00 0.00 C ATOM 500 O LEU A 35 -4.956 -3.649 0.110 1.00 0.00 O ATOM 501 CB LEU A 35 -6.119 -2.326 -2.267 1.00 0.00 C ATOM 502 CG LEU A 35 -5.886 -2.892 -3.682 1.00 0.00 C ATOM 503 CD1 LEU A 35 -4.939 -1.994 -4.457 1.00 0.00 C ATOM 504 CD2 LEU A 35 -5.343 -4.318 -3.646 1.00 0.00 C ATOM 0 H LEU A 35 -7.016 -1.990 0.373 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.551 -3.853 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.686 -1.399 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.151 -2.067 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.853 -2.921 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.783 -2.405 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.369 -0.996 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.984 -1.936 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.194 -4.676 -4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.392 -4.332 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.055 -4.966 -3.134 1.00 0.00 H new ATOM 516 N ASP A 36 -6.062 -5.426 -0.683 1.00 0.00 N ATOM 517 CA ASP A 36 -5.188 -6.384 -0.059 1.00 0.00 C ATOM 518 C ASP A 36 -3.818 -6.349 -0.717 1.00 0.00 C ATOM 519 O ASP A 36 -3.648 -6.746 -1.862 1.00 0.00 O ATOM 520 CB ASP A 36 -5.802 -7.773 -0.158 1.00 0.00 C ATOM 521 CG ASP A 36 -6.996 -7.946 0.763 1.00 0.00 C ATOM 522 OD1 ASP A 36 -6.810 -7.935 1.997 1.00 0.00 O ATOM 523 OD2 ASP A 36 -8.130 -8.098 0.256 1.00 0.00 O ATOM 0 H ASP A 36 -6.831 -5.838 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.064 -6.131 0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.111 -7.958 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.046 -8.519 0.087 1.00 0.00 H new ATOM 528 N LEU A 37 -2.846 -5.839 0.014 1.00 0.00 N ATOM 529 CA LEU A 37 -1.483 -5.740 -0.476 1.00 0.00 C ATOM 530 C LEU A 37 -0.943 -7.108 -0.794 1.00 0.00 C ATOM 531 O LEU A 37 -0.267 -7.309 -1.791 1.00 0.00 O ATOM 532 CB LEU A 37 -0.608 -5.121 0.580 1.00 0.00 C ATOM 533 CG LEU A 37 -1.072 -3.774 1.050 1.00 0.00 C ATOM 534 CD1 LEU A 37 -0.384 -3.453 2.343 1.00 0.00 C ATOM 535 CD2 LEU A 37 -0.815 -2.717 -0.013 1.00 0.00 C ATOM 0 H LEU A 37 -2.977 -5.483 0.961 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.485 -5.125 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.558 -5.795 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.405 -5.028 0.188 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.148 -3.787 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.712 -2.476 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.634 -4.210 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.695 -3.439 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.159 -1.747 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.253 -2.667 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.355 -2.978 -0.923 1.00 0.00 H new ATOM 547 N ASP A 38 -1.271 -8.053 0.063 1.00 0.00 N ATOM 548 CA ASP A 38 -0.822 -9.423 -0.106 1.00 0.00 C ATOM 549 C ASP A 38 -1.403 -10.026 -1.377 1.00 0.00 C ATOM 550 O ASP A 38 -1.086 -11.149 -1.731 1.00 0.00 O ATOM 551 CB ASP A 38 -1.181 -10.288 1.106 1.00 0.00 C ATOM 552 CG ASP A 38 -2.562 -10.908 1.018 1.00 0.00 C ATOM 553 OD1 ASP A 38 -3.551 -10.159 0.900 1.00 0.00 O ATOM 554 OD2 ASP A 38 -2.657 -12.152 1.070 1.00 0.00 O ATOM 0 H ASP A 38 -1.850 -7.898 0.888 1.00 0.00 H new ATOM 0 HA ASP A 38 0.264 -9.403 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.441 -11.082 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.122 -9.679 2.008 1.00 0.00 H new ATOM 559 N THR A 39 -2.265 -9.291 -2.058 1.00 0.00 N ATOM 560 CA THR A 39 -2.856 -9.811 -3.277 1.00 0.00 C ATOM 561 C THR A 39 -2.243 -9.159 -4.522 1.00 0.00 C ATOM 562 O THR A 39 -2.398 -9.668 -5.634 1.00 0.00 O ATOM 563 CB THR A 39 -4.398 -9.679 -3.285 1.00 0.00 C ATOM 564 OG1 THR A 39 -4.970 -10.763 -4.028 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.857 -8.371 -3.900 1.00 0.00 C ATOM 0 H THR A 39 -2.566 -8.353 -1.795 1.00 0.00 H new ATOM 0 HA THR A 39 -2.624 -10.876 -3.305 1.00 0.00 H new ATOM 0 HB THR A 39 -4.731 -9.703 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.272 -11.416 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.946 -8.324 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.449 -7.537 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.507 -8.311 -4.930 1.00 0.00 H new ATOM 573 N ILE A 40 -1.508 -8.061 -4.338 1.00 0.00 N ATOM 574 CA ILE A 40 -0.887 -7.365 -5.468 1.00 0.00 C ATOM 575 C ILE A 40 0.513 -6.848 -5.132 1.00 0.00 C ATOM 576 O ILE A 40 1.074 -6.041 -5.862 1.00 0.00 O ATOM 577 CB ILE A 40 -1.762 -6.186 -5.961 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.211 -5.297 -4.794 1.00 0.00 C ATOM 579 CG2 ILE A 40 -2.970 -6.695 -6.734 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.236 -4.198 -4.432 1.00 0.00 C ATOM 0 H ILE A 40 -1.329 -7.637 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.800 -8.104 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.151 -5.581 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.171 -4.846 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.374 -5.924 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.570 -5.849 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.634 -7.268 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.573 -7.333 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.633 -3.619 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.281 -4.639 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.090 -3.543 -5.291 1.00 0.00 H new ATOM 592 N ILE A 41 1.067 -7.298 -4.022 1.00 0.00 N ATOM 593 CA ILE A 41 2.401 -6.875 -3.602 1.00 0.00 C ATOM 594 C ILE A 41 3.262 -8.091 -3.317 1.00 0.00 C ATOM 595 O ILE A 41 2.834 -9.002 -2.612 1.00 0.00 O ATOM 596 CB ILE A 41 2.352 -5.970 -2.350 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.582 -4.686 -2.660 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.749 -5.645 -1.839 1.00 0.00 C ATOM 599 CD1 ILE A 41 2.026 -3.501 -1.836 1.00 0.00 C ATOM 0 H ILE A 41 0.617 -7.959 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 41 2.834 -6.295 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 41 1.833 -6.515 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.700 -4.448 -3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.519 -4.859 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.675 -5.007 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.264 -6.569 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.309 -5.126 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.436 -2.626 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.882 -3.719 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.081 -3.301 -2.025 1.00 0.00 H new ATOM 611 N GLY A 42 4.458 -8.118 -3.877 1.00 0.00 N ATOM 612 CA GLY A 42 5.341 -9.247 -3.674 1.00 0.00 C ATOM 613 C GLY A 42 6.714 -8.827 -3.206 1.00 0.00 C ATOM 614 O GLY A 42 7.113 -7.679 -3.387 1.00 0.00 O ATOM 0 H GLY A 42 4.835 -7.378 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.901 -9.922 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.433 -9.805 -4.606 1.00 0.00 H new ATOM 618 N ASN A 43 7.425 -9.752 -2.586 1.00 0.00 N ATOM 619 CA ASN A 43 8.769 -9.491 -2.097 1.00 0.00 C ATOM 620 C ASN A 43 9.784 -10.281 -2.910 1.00 0.00 C ATOM 621 O ASN A 43 9.842 -11.509 -2.831 1.00 0.00 O ATOM 622 CB ASN A 43 8.880 -9.840 -0.607 1.00 0.00 C ATOM 623 CG ASN A 43 10.317 -9.926 -0.123 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.208 -9.249 -0.639 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.550 -10.750 0.888 1.00 0.00 N ATOM 0 H ASN A 43 7.091 -10.699 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 43 8.981 -8.428 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.350 -9.088 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.383 -10.793 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.493 -10.840 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.786 -11.294 1.289 1.00 0.00 H new ATOM 632 N ASN A 44 10.570 -9.575 -3.702 1.00 0.00 N ATOM 633 CA ASN A 44 11.585 -10.210 -4.525 1.00 0.00 C ATOM 634 C ASN A 44 12.949 -10.105 -3.851 1.00 0.00 C ATOM 635 O ASN A 44 13.769 -9.255 -4.208 1.00 0.00 O ATOM 636 CB ASN A 44 11.634 -9.577 -5.919 1.00 0.00 C ATOM 637 CG ASN A 44 12.550 -10.328 -6.872 1.00 0.00 C ATOM 638 OD1 ASN A 44 12.539 -11.647 -6.799 1.00 0.00 O flip ATOM 639 ND2 ASN A 44 13.238 -9.723 -7.697 1.00 0.00 N flip ATOM 0 H ASN A 44 10.525 -8.560 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 44 11.324 -11.262 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.627 -9.548 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.973 -8.545 -5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.222 -8.704 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.823 -10.242 -8.352 1.00 0.00 H new ATOM 646 N ASP A 45 13.156 -10.954 -2.846 1.00 0.00 N ATOM 647 CA ASP A 45 14.412 -11.004 -2.097 1.00 0.00 C ATOM 648 C ASP A 45 14.800 -9.632 -1.566 1.00 0.00 C ATOM 649 O ASP A 45 15.859 -9.102 -1.900 1.00 0.00 O ATOM 650 CB ASP A 45 15.539 -11.564 -2.968 1.00 0.00 C ATOM 651 CG ASP A 45 15.277 -12.986 -3.397 1.00 0.00 C ATOM 652 OD1 ASP A 45 15.014 -13.835 -2.522 1.00 0.00 O ATOM 653 OD2 ASP A 45 15.324 -13.265 -4.613 1.00 0.00 O ATOM 0 H ASP A 45 12.459 -11.627 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 45 14.257 -11.667 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.659 -10.936 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.478 -11.520 -2.416 1.00 0.00 H new ATOM 658 N GLY A 46 13.935 -9.049 -0.751 1.00 0.00 N ATOM 659 CA GLY A 46 14.218 -7.746 -0.198 1.00 0.00 C ATOM 660 C GLY A 46 13.961 -6.645 -1.202 1.00 0.00 C ATOM 661 O GLY A 46 14.678 -5.649 -1.233 1.00 0.00 O ATOM 0 H GLY A 46 13.044 -9.455 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.601 -7.584 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.258 -7.707 0.127 1.00 0.00 H new ATOM 665 N HIS A 47 12.953 -6.834 -2.040 1.00 0.00 N ATOM 666 CA HIS A 47 12.603 -5.843 -3.056 1.00 0.00 C ATOM 667 C HIS A 47 11.108 -5.885 -3.347 1.00 0.00 C ATOM 668 O HIS A 47 10.615 -6.861 -3.907 1.00 0.00 O ATOM 669 CB HIS A 47 13.374 -6.100 -4.361 1.00 0.00 C ATOM 670 CG HIS A 47 14.860 -5.970 -4.236 1.00 0.00 C ATOM 671 ND1 HIS A 47 15.699 -7.048 -4.043 1.00 0.00 N ATOM 672 CD2 HIS A 47 15.655 -4.877 -4.266 1.00 0.00 C ATOM 673 CE1 HIS A 47 16.944 -6.621 -3.956 1.00 0.00 C ATOM 674 NE2 HIS A 47 16.945 -5.309 -4.086 1.00 0.00 N ATOM 0 H HIS A 47 12.360 -7.664 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 47 12.873 -4.861 -2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 47 13.138 -7.103 -4.717 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.023 -5.401 -5.120 1.00 0.00 H new ATOM 0 HD1 HIS A 47 15.403 -8.022 -3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 47 15.335 -3.855 -4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 47 17.815 -7.241 -3.804 1.00 0.00 H new ATOM 683 N PHE A 48 10.389 -4.842 -2.948 1.00 0.00 N ATOM 684 CA PHE A 48 8.952 -4.771 -3.197 1.00 0.00 C ATOM 685 C PHE A 48 8.651 -4.840 -4.686 1.00 0.00 C ATOM 686 O PHE A 48 9.322 -4.203 -5.501 1.00 0.00 O ATOM 687 CB PHE A 48 8.351 -3.495 -2.619 1.00 0.00 C ATOM 688 CG PHE A 48 8.180 -3.528 -1.129 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.289 -4.411 -0.541 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.904 -2.674 -0.318 1.00 0.00 C ATOM 691 CE1 PHE A 48 7.126 -4.439 0.829 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.744 -2.699 1.054 1.00 0.00 C ATOM 693 CZ PHE A 48 7.854 -3.582 1.628 1.00 0.00 C ATOM 0 H PHE A 48 10.774 -4.037 -2.453 1.00 0.00 H new ATOM 0 HA PHE A 48 8.499 -5.629 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.989 -2.652 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.381 -3.319 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.716 -5.084 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.602 -1.980 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.428 -5.132 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.316 -2.027 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.727 -3.603 2.700 1.00 0.00 H new ATOM 703 N GLN A 49 7.639 -5.611 -5.030 1.00 0.00 N ATOM 704 CA GLN A 49 7.245 -5.780 -6.406 1.00 0.00 C ATOM 705 C GLN A 49 5.746 -5.613 -6.564 1.00 0.00 C ATOM 706 O GLN A 49 4.959 -6.357 -5.973 1.00 0.00 O ATOM 707 CB GLN A 49 7.683 -7.157 -6.913 1.00 0.00 C ATOM 708 CG GLN A 49 6.975 -7.592 -8.183 1.00 0.00 C ATOM 709 CD GLN A 49 7.666 -8.746 -8.884 1.00 0.00 C ATOM 710 OE1 GLN A 49 8.984 -8.815 -8.770 1.00 0.00 O flip ATOM 711 NE2 GLN A 49 7.020 -9.562 -9.538 1.00 0.00 N flip ATOM 0 H GLN A 49 7.071 -6.134 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 49 7.737 -5.010 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.758 -7.143 -7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.500 -7.897 -6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.952 -7.882 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.913 -6.745 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.006 -9.476 -9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.498 -10.325 -10.016 1.00 0.00 H new ATOM 720 N TRP A 50 5.355 -4.606 -7.327 1.00 0.00 N ATOM 721 CA TRP A 50 3.953 -4.370 -7.590 1.00 0.00 C ATOM 722 C TRP A 50 3.428 -5.468 -8.510 1.00 0.00 C ATOM 723 O TRP A 50 3.853 -5.589 -9.658 1.00 0.00 O ATOM 724 CB TRP A 50 3.741 -2.986 -8.219 1.00 0.00 C ATOM 725 CG TRP A 50 3.931 -1.853 -7.253 1.00 0.00 C ATOM 726 CD1 TRP A 50 4.960 -0.951 -7.216 1.00 0.00 C ATOM 727 CD2 TRP A 50 3.056 -1.507 -6.180 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.766 -0.061 -6.182 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.607 -0.386 -5.531 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.857 -2.039 -5.703 1.00 0.00 C ATOM 731 CZ2 TRP A 50 2.997 0.210 -4.436 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.254 -1.447 -4.615 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.823 -0.333 -3.992 1.00 0.00 C ATOM 0 H TRP A 50 5.990 -3.943 -7.772 1.00 0.00 H new ATOM 0 HA TRP A 50 3.402 -4.391 -6.650 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.435 -2.864 -9.051 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.734 -2.935 -8.633 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.799 -0.939 -7.896 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.385 0.713 -5.941 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.410 -2.900 -6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.434 1.071 -3.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.326 -1.851 -4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.325 0.109 -3.142 1.00 0.00 H new ATOM 744 N GLY A 51 2.518 -6.267 -7.985 1.00 0.00 N ATOM 745 CA GLY A 51 1.935 -7.359 -8.748 1.00 0.00 C ATOM 746 C GLY A 51 2.540 -8.705 -8.383 1.00 0.00 C ATOM 747 O GLY A 51 2.559 -9.627 -9.196 1.00 0.00 O ATOM 0 H GLY A 51 2.165 -6.182 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.859 -7.387 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.081 -7.174 -9.812 1.00 0.00 H new ATOM 751 N GLY A 52 3.031 -8.821 -7.155 1.00 0.00 N ATOM 752 CA GLY A 52 3.643 -10.063 -6.719 1.00 0.00 C ATOM 753 C GLY A 52 2.695 -10.957 -5.940 1.00 0.00 C ATOM 754 O GLY A 52 2.540 -12.133 -6.268 1.00 0.00 O ATOM 0 H GLY A 52 3.017 -8.080 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.009 -10.605 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.509 -9.835 -6.098 1.00 0.00 H new ATOM 758 N GLN A 53 2.069 -10.389 -4.905 1.00 0.00 N ATOM 759 CA GLN A 53 1.128 -11.109 -4.038 1.00 0.00 C ATOM 760 C GLN A 53 1.859 -12.078 -3.099 1.00 0.00 C ATOM 761 O GLN A 53 2.869 -12.686 -3.460 1.00 0.00 O ATOM 762 CB GLN A 53 0.047 -11.817 -4.870 1.00 0.00 C ATOM 763 CG GLN A 53 -0.737 -12.886 -4.122 1.00 0.00 C ATOM 764 CD GLN A 53 -1.794 -13.537 -4.987 1.00 0.00 C ATOM 765 OE1 GLN A 53 -2.999 -12.992 -4.969 1.00 0.00 O flip ATOM 766 NE2 GLN A 53 -1.533 -14.523 -5.666 1.00 0.00 N flip ATOM 0 H GLN A 53 2.201 -9.412 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 53 0.625 -10.377 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.652 -11.069 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.519 -12.274 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.049 -13.649 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.211 -12.440 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.592 -14.916 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.257 -14.951 -6.243 1.00 0.00 H new ATOM 775 N ASN A 54 1.341 -12.163 -1.875 1.00 0.00 N ATOM 776 CA ASN A 54 1.869 -13.020 -0.815 1.00 0.00 C ATOM 777 C ASN A 54 3.249 -12.559 -0.364 1.00 0.00 C ATOM 778 O ASN A 54 4.133 -13.362 -0.069 1.00 0.00 O ATOM 779 CB ASN A 54 1.897 -14.487 -1.243 1.00 0.00 C ATOM 780 CG ASN A 54 1.454 -15.405 -0.123 1.00 0.00 C ATOM 781 OD1 ASN A 54 1.631 -15.097 1.058 1.00 0.00 O ATOM 782 ND2 ASN A 54 0.857 -16.528 -0.486 1.00 0.00 N ATOM 0 H ASN A 54 0.524 -11.626 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 54 1.193 -12.935 0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.247 -14.627 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.906 -14.756 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.522 -17.180 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.732 -16.742 -1.475 1.00 0.00 H new ATOM 789 N PHE A 55 3.425 -11.247 -0.301 1.00 0.00 N ATOM 790 CA PHE A 55 4.690 -10.665 0.129 1.00 0.00 C ATOM 791 C PHE A 55 4.782 -10.738 1.640 1.00 0.00 C ATOM 792 O PHE A 55 5.863 -10.821 2.206 1.00 0.00 O ATOM 793 CB PHE A 55 4.814 -9.203 -0.340 1.00 0.00 C ATOM 794 CG PHE A 55 4.140 -8.192 0.546 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.767 -8.018 0.507 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.888 -7.401 1.404 1.00 0.00 C ATOM 797 CE1 PHE A 55 2.152 -7.074 1.304 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.277 -6.457 2.207 1.00 0.00 C ATOM 799 CZ PHE A 55 2.908 -6.294 2.156 1.00 0.00 C ATOM 0 H PHE A 55 2.707 -10.564 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 55 5.508 -11.230 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.872 -8.950 -0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.394 -9.122 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.170 -8.628 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.960 -7.524 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.081 -6.946 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.870 -5.848 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.428 -5.557 2.782 1.00 0.00 H new ATOM 809 N THR A 56 3.620 -10.742 2.276 1.00 0.00 N ATOM 810 CA THR A 56 3.520 -10.790 3.722 1.00 0.00 C ATOM 811 C THR A 56 4.108 -12.071 4.290 1.00 0.00 C ATOM 812 O THR A 56 4.583 -12.093 5.423 1.00 0.00 O ATOM 813 CB THR A 56 2.053 -10.661 4.141 1.00 0.00 C ATOM 814 OG1 THR A 56 1.256 -11.593 3.396 1.00 0.00 O ATOM 815 CG2 THR A 56 1.555 -9.253 3.883 1.00 0.00 C ATOM 0 H THR A 56 2.719 -10.712 1.800 1.00 0.00 H new ATOM 0 HA THR A 56 4.097 -9.957 4.124 1.00 0.00 H new ATOM 0 HB THR A 56 1.971 -10.877 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.207 -12.443 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.511 -9.175 4.185 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.153 -8.545 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.643 -9.025 2.821 1.00 0.00 H new ATOM 823 N GLU A 57 4.076 -13.137 3.499 1.00 0.00 N ATOM 824 CA GLU A 57 4.621 -14.414 3.937 1.00 0.00 C ATOM 825 C GLU A 57 6.148 -14.344 4.012 1.00 0.00 C ATOM 826 O GLU A 57 6.791 -15.159 4.676 1.00 0.00 O ATOM 827 CB GLU A 57 4.181 -15.544 3.000 1.00 0.00 C ATOM 828 CG GLU A 57 5.127 -15.815 1.846 1.00 0.00 C ATOM 829 CD GLU A 57 4.858 -17.148 1.185 1.00 0.00 C ATOM 830 OE1 GLU A 57 5.317 -18.178 1.722 1.00 0.00 O ATOM 831 OE2 GLU A 57 4.195 -17.180 0.130 1.00 0.00 O ATOM 0 H GLU A 57 3.681 -13.142 2.558 1.00 0.00 H new ATOM 0 HA GLU A 57 4.233 -14.628 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.069 -16.458 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.198 -15.301 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.032 -15.020 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.155 -15.792 2.208 1.00 0.00 H new ATOM 838 N THR A 58 6.723 -13.351 3.345 1.00 0.00 N ATOM 839 CA THR A 58 8.161 -13.181 3.329 1.00 0.00 C ATOM 840 C THR A 58 8.532 -11.801 3.853 1.00 0.00 C ATOM 841 O THR A 58 9.656 -11.330 3.675 1.00 0.00 O ATOM 842 CB THR A 58 8.716 -13.370 1.904 1.00 0.00 C ATOM 843 OG1 THR A 58 8.129 -12.411 1.019 1.00 0.00 O ATOM 844 CG2 THR A 58 8.411 -14.766 1.386 1.00 0.00 C ATOM 0 H THR A 58 6.209 -12.652 2.808 1.00 0.00 H new ATOM 0 HA THR A 58 8.603 -13.939 3.976 1.00 0.00 H new ATOM 0 HB THR A 58 9.796 -13.230 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.435 -11.908 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.812 -14.876 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.870 -15.506 2.042 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.332 -14.919 1.365 1.00 0.00 H new ATOM 852 N ALA A 59 7.568 -11.156 4.492 1.00 0.00 N ATOM 853 CA ALA A 59 7.767 -9.833 5.052 1.00 0.00 C ATOM 854 C ALA A 59 7.437 -9.818 6.537 1.00 0.00 C ATOM 855 O ALA A 59 6.593 -10.582 7.011 1.00 0.00 O ATOM 856 CB ALA A 59 6.923 -8.808 4.311 1.00 0.00 C ATOM 0 H ALA A 59 6.632 -11.534 4.635 1.00 0.00 H new ATOM 0 HA ALA A 59 8.818 -9.569 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.085 -7.821 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.209 -8.793 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.869 -9.074 4.397 1.00 0.00 H new ATOM 862 N GLU A 60 8.123 -8.955 7.265 1.00 0.00 N ATOM 863 CA GLU A 60 7.932 -8.806 8.699 1.00 0.00 C ATOM 864 C GLU A 60 7.876 -7.325 9.025 1.00 0.00 C ATOM 865 O GLU A 60 8.159 -6.511 8.160 1.00 0.00 O ATOM 866 CB GLU A 60 9.093 -9.441 9.475 1.00 0.00 C ATOM 867 CG GLU A 60 9.754 -10.614 8.763 1.00 0.00 C ATOM 868 CD GLU A 60 10.804 -11.304 9.612 1.00 0.00 C ATOM 869 OE1 GLU A 60 10.832 -11.068 10.840 1.00 0.00 O ATOM 870 OE2 GLU A 60 11.594 -12.093 9.058 1.00 0.00 O ATOM 0 H GLU A 60 8.833 -8.334 6.877 1.00 0.00 H new ATOM 0 HA GLU A 60 7.007 -9.305 8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.846 -8.677 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.725 -9.779 10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.990 -11.338 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.215 -10.260 7.841 1.00 0.00 H new ATOM 877 N ASP A 61 7.516 -6.988 10.259 1.00 0.00 N ATOM 878 CA ASP A 61 7.454 -5.591 10.714 1.00 0.00 C ATOM 879 C ASP A 61 6.807 -4.686 9.664 1.00 0.00 C ATOM 880 O ASP A 61 7.409 -3.711 9.217 1.00 0.00 O ATOM 881 CB ASP A 61 8.867 -5.080 11.010 1.00 0.00 C ATOM 882 CG ASP A 61 8.886 -3.964 12.034 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.204 -4.094 13.069 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.608 -2.969 11.818 1.00 0.00 O ATOM 0 H ASP A 61 7.259 -7.668 10.975 1.00 0.00 H new ATOM 0 HA ASP A 61 6.844 -5.563 11.617 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.479 -5.907 11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.321 -4.726 10.085 1.00 0.00 H new ATOM 889 N ILE A 62 5.585 -4.999 9.276 1.00 0.00 N ATOM 890 CA ILE A 62 4.902 -4.218 8.257 1.00 0.00 C ATOM 891 C ILE A 62 4.129 -3.049 8.854 1.00 0.00 C ATOM 892 O ILE A 62 3.120 -3.231 9.533 1.00 0.00 O ATOM 893 CB ILE A 62 3.944 -5.094 7.426 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.579 -6.472 7.195 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.633 -4.412 6.099 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.915 -7.289 6.110 1.00 0.00 C ATOM 0 H ILE A 62 5.047 -5.782 9.646 1.00 0.00 H new ATOM 0 HA ILE A 62 5.679 -3.820 7.605 1.00 0.00 H new ATOM 0 HB ILE A 62 3.008 -5.227 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.630 -6.337 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.547 -7.035 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.955 -5.038 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.163 -3.447 6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.557 -4.263 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.425 -8.247 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.870 -7.459 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.970 -6.750 5.164 1.00 0.00 H new ATOM 908 N ARG A 63 4.637 -1.849 8.612 1.00 0.00 N ATOM 909 CA ARG A 63 4.004 -0.623 9.084 1.00 0.00 C ATOM 910 C ARG A 63 3.807 0.323 7.914 1.00 0.00 C ATOM 911 O ARG A 63 4.756 0.647 7.198 1.00 0.00 O ATOM 912 CB ARG A 63 4.830 0.053 10.185 1.00 0.00 C ATOM 913 CG ARG A 63 6.325 -0.196 10.078 1.00 0.00 C ATOM 914 CD ARG A 63 6.808 -1.086 11.210 1.00 0.00 C ATOM 915 NE ARG A 63 5.954 -2.259 11.393 1.00 0.00 N ATOM 916 CZ ARG A 63 5.471 -2.665 12.569 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.720 -1.968 13.673 1.00 0.00 N ATOM 918 NH2 ARG A 63 4.732 -3.766 12.639 1.00 0.00 N ATOM 0 H ARG A 63 5.497 -1.697 8.085 1.00 0.00 H new ATOM 0 HA ARG A 63 3.037 -0.879 9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.648 1.127 10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.482 -0.301 11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.552 -0.664 9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.859 0.754 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.828 -1.410 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.836 -0.511 12.136 1.00 0.00 H new ATOM 0 HE ARG A 63 5.711 -2.804 10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.283 -1.119 13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.349 -2.283 14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.533 -4.302 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.363 -4.076 13.538 1.00 0.00 H new ATOM 932 N PHE A 64 2.582 0.773 7.733 1.00 0.00 N ATOM 933 CA PHE A 64 2.252 1.651 6.629 1.00 0.00 C ATOM 934 C PHE A 64 2.389 3.115 7.027 1.00 0.00 C ATOM 935 O PHE A 64 1.976 3.521 8.116 1.00 0.00 O ATOM 936 CB PHE A 64 0.829 1.361 6.147 1.00 0.00 C ATOM 937 CG PHE A 64 0.310 2.348 5.146 1.00 0.00 C ATOM 938 CD1 PHE A 64 1.043 2.672 4.017 1.00 0.00 C ATOM 939 CD2 PHE A 64 -0.909 2.962 5.347 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.565 3.593 3.108 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.392 3.879 4.441 1.00 0.00 C ATOM 942 CZ PHE A 64 -0.654 4.198 3.321 1.00 0.00 C ATOM 0 H PHE A 64 1.795 0.544 8.340 1.00 0.00 H new ATOM 0 HA PHE A 64 2.954 1.461 5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.802 0.364 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.161 1.347 7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.999 2.199 3.846 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.491 2.721 6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.145 3.839 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.350 4.349 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.031 4.921 2.612 1.00 0.00 H new ATOM 952 N HIS A 65 2.981 3.892 6.132 1.00 0.00 N ATOM 953 CA HIS A 65 3.181 5.317 6.347 1.00 0.00 C ATOM 954 C HIS A 65 2.426 6.105 5.269 1.00 0.00 C ATOM 955 O HIS A 65 3.011 6.489 4.257 1.00 0.00 O ATOM 956 CB HIS A 65 4.682 5.629 6.297 1.00 0.00 C ATOM 957 CG HIS A 65 5.086 6.861 7.048 1.00 0.00 C ATOM 958 ND1 HIS A 65 6.277 7.524 6.826 1.00 0.00 N ATOM 959 CD2 HIS A 65 4.475 7.527 8.056 1.00 0.00 C ATOM 960 CE1 HIS A 65 6.378 8.534 7.665 1.00 0.00 C ATOM 961 NE2 HIS A 65 5.299 8.561 8.419 1.00 0.00 N ATOM 0 H HIS A 65 3.336 3.553 5.238 1.00 0.00 H new ATOM 0 HA HIS A 65 2.795 5.607 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.231 4.777 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.983 5.739 5.255 1.00 0.00 H new ATOM 0 HD1 HIS A 65 6.970 7.271 6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.517 7.288 8.493 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.207 9.224 7.725 1.00 0.00 H new ATOM 970 N PRO A 66 1.108 6.332 5.467 1.00 0.00 N ATOM 971 CA PRO A 66 0.256 7.051 4.503 1.00 0.00 C ATOM 972 C PRO A 66 0.744 8.442 4.182 1.00 0.00 C ATOM 973 O PRO A 66 0.722 8.888 3.041 1.00 0.00 O ATOM 974 CB PRO A 66 -1.103 7.154 5.196 1.00 0.00 C ATOM 975 CG PRO A 66 -0.891 6.740 6.612 1.00 0.00 C ATOM 976 CD PRO A 66 0.345 5.889 6.641 1.00 0.00 C ATOM 0 HA PRO A 66 0.242 6.518 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.489 8.172 5.144 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.836 6.510 4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.774 7.612 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.751 6.183 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.909 6.035 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.101 4.828 6.582 1.00 0.00 H new ATOM 984 N LYS A 67 1.136 9.132 5.208 1.00 0.00 N ATOM 985 CA LYS A 67 1.636 10.483 5.060 1.00 0.00 C ATOM 986 C LYS A 67 3.073 10.550 5.536 1.00 0.00 C ATOM 987 O LYS A 67 3.337 10.917 6.683 1.00 0.00 O ATOM 988 CB LYS A 67 0.799 11.492 5.855 1.00 0.00 C ATOM 989 CG LYS A 67 -0.705 11.377 5.665 1.00 0.00 C ATOM 990 CD LYS A 67 -1.324 10.484 6.727 1.00 0.00 C ATOM 991 CE LYS A 67 -2.839 10.609 6.750 1.00 0.00 C ATOM 992 NZ LYS A 67 -3.427 9.995 7.968 1.00 0.00 N ATOM 0 H LYS A 67 1.123 8.787 6.168 1.00 0.00 H new ATOM 0 HA LYS A 67 1.571 10.744 4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.025 11.373 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.109 12.499 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.157 12.368 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.920 10.973 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.047 9.447 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.922 10.748 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.117 11.662 6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.256 10.130 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.461 10.101 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.183 8.984 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.049 10.469 8.813 1.00 0.00 H new ATOM 1006 N GLU A 68 3.997 10.160 4.673 1.00 0.00 N ATOM 1007 CA GLU A 68 5.403 10.197 5.026 1.00 0.00 C ATOM 1008 C GLU A 68 5.868 11.617 5.285 1.00 0.00 C ATOM 1009 O GLU A 68 5.937 12.430 4.361 1.00 0.00 O ATOM 1010 CB GLU A 68 6.277 9.568 3.948 1.00 0.00 C ATOM 1011 CG GLU A 68 7.757 9.702 4.248 1.00 0.00 C ATOM 1012 CD GLU A 68 8.492 8.385 4.108 1.00 0.00 C ATOM 1013 OE1 GLU A 68 8.241 7.479 4.937 1.00 0.00 O ATOM 1014 OE2 GLU A 68 9.325 8.248 3.188 1.00 0.00 O ATOM 0 H GLU A 68 3.800 9.818 3.733 1.00 0.00 H new ATOM 0 HA GLU A 68 5.508 9.613 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.024 8.512 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.060 10.038 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.198 10.435 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.887 10.083 5.261 1.00 0.00 H new ATOM 1021 N GLY A 69 6.146 11.898 6.560 1.00 0.00 N ATOM 1022 CA GLY A 69 6.634 13.197 6.977 1.00 0.00 C ATOM 1023 C GLY A 69 5.832 14.350 6.425 1.00 0.00 C ATOM 1024 O GLY A 69 4.601 14.290 6.340 1.00 0.00 O ATOM 0 H GLY A 69 6.037 11.229 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.624 13.247 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.672 13.304 6.662 1.00 0.00 H new ATOM 1028 N ALA A 70 6.540 15.398 6.039 1.00 0.00 N ATOM 1029 CA ALA A 70 5.917 16.581 5.481 1.00 0.00 C ATOM 1030 C ALA A 70 5.614 16.373 4.007 1.00 0.00 C ATOM 1031 O ALA A 70 4.902 17.165 3.389 1.00 0.00 O ATOM 1032 CB ALA A 70 6.819 17.791 5.672 1.00 0.00 C ATOM 0 H ALA A 70 7.557 15.451 6.104 1.00 0.00 H new ATOM 0 HA ALA A 70 4.978 16.761 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.339 18.673 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.995 17.949 6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.770 17.619 5.169 1.00 0.00 H new ATOM 1038 N ALA A 71 6.152 15.296 3.443 1.00 0.00 N ATOM 1039 CA ALA A 71 5.933 14.989 2.042 1.00 0.00 C ATOM 1040 C ALA A 71 4.543 14.413 1.827 1.00 0.00 C ATOM 1041 O ALA A 71 3.989 14.487 0.729 1.00 0.00 O ATOM 1042 CB ALA A 71 6.990 14.021 1.539 1.00 0.00 C ATOM 0 H ALA A 71 6.741 14.625 3.937 1.00 0.00 H new ATOM 0 HA ALA A 71 6.011 15.916 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.811 13.801 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.977 14.469 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.941 13.097 2.116 1.00 0.00 H new ATOM 1048 N GLU A 72 3.991 13.850 2.907 1.00 0.00 N ATOM 1049 CA GLU A 72 2.667 13.233 2.896 1.00 0.00 C ATOM 1050 C GLU A 72 2.594 12.163 1.820 1.00 0.00 C ATOM 1051 O GLU A 72 1.577 12.006 1.148 1.00 0.00 O ATOM 1052 CB GLU A 72 1.573 14.278 2.666 1.00 0.00 C ATOM 1053 CG GLU A 72 1.581 15.417 3.671 1.00 0.00 C ATOM 1054 CD GLU A 72 0.496 16.431 3.386 1.00 0.00 C ATOM 1055 OE1 GLU A 72 0.660 17.240 2.448 1.00 0.00 O ATOM 1056 OE2 GLU A 72 -0.532 16.421 4.093 1.00 0.00 O ATOM 0 H GLU A 72 4.454 13.811 3.815 1.00 0.00 H new ATOM 0 HA GLU A 72 2.503 12.774 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.686 14.691 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.602 13.785 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.447 15.015 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.553 15.911 3.652 1.00 0.00 H new ATOM 1063 N GLN A 73 3.677 11.417 1.679 1.00 0.00 N ATOM 1064 CA GLN A 73 3.750 10.378 0.664 1.00 0.00 C ATOM 1065 C GLN A 73 3.471 9.007 1.251 1.00 0.00 C ATOM 1066 O GLN A 73 4.158 8.569 2.170 1.00 0.00 O ATOM 1067 CB GLN A 73 5.124 10.384 -0.005 1.00 0.00 C ATOM 1068 CG GLN A 73 5.374 11.608 -0.870 1.00 0.00 C ATOM 1069 CD GLN A 73 6.788 11.659 -1.417 1.00 0.00 C ATOM 1070 OE1 GLN A 73 7.332 12.736 -1.656 1.00 0.00 O ATOM 1071 NE2 GLN A 73 7.395 10.501 -1.620 1.00 0.00 N ATOM 0 H GLN A 73 4.515 11.510 2.252 1.00 0.00 H new ATOM 0 HA GLN A 73 2.984 10.591 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.894 10.330 0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.224 9.489 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.667 11.612 -1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.183 12.507 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.911 9.628 -1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.347 10.481 -1.987 1.00 0.00 H new ATOM 1080 N PRO A 74 2.437 8.329 0.751 1.00 0.00 N ATOM 1081 CA PRO A 74 2.088 6.992 1.211 1.00 0.00 C ATOM 1082 C PRO A 74 3.127 5.976 0.781 1.00 0.00 C ATOM 1083 O PRO A 74 3.254 5.655 -0.399 1.00 0.00 O ATOM 1084 CB PRO A 74 0.747 6.709 0.536 1.00 0.00 C ATOM 1085 CG PRO A 74 0.745 7.584 -0.668 1.00 0.00 C ATOM 1086 CD PRO A 74 1.508 8.819 -0.275 1.00 0.00 C ATOM 0 HA PRO A 74 2.038 6.927 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.654 5.658 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.087 6.942 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.216 7.086 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.273 7.832 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.038 9.252 -1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.847 9.593 0.117 1.00 0.00 H new ATOM 1094 N ILE A 75 3.894 5.501 1.735 1.00 0.00 N ATOM 1095 CA ILE A 75 4.921 4.519 1.461 1.00 0.00 C ATOM 1096 C ILE A 75 4.853 3.421 2.508 1.00 0.00 C ATOM 1097 O ILE A 75 4.557 3.676 3.677 1.00 0.00 O ATOM 1098 CB ILE A 75 6.347 5.144 1.403 1.00 0.00 C ATOM 1099 CG1 ILE A 75 6.932 5.380 2.798 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.333 6.447 0.619 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.903 4.299 3.231 1.00 0.00 C ATOM 0 H ILE A 75 3.826 5.780 2.714 1.00 0.00 H new ATOM 0 HA ILE A 75 4.732 4.100 0.473 1.00 0.00 H new ATOM 0 HB ILE A 75 6.987 4.424 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.441 6.344 2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.118 5.439 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.339 6.866 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.991 6.256 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.659 7.155 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.280 4.527 4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.392 3.336 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.736 4.255 2.529 1.00 0.00 H new ATOM 1113 N LEU A 76 5.084 2.200 2.085 1.00 0.00 N ATOM 1114 CA LEU A 76 5.028 1.067 2.983 1.00 0.00 C ATOM 1115 C LEU A 76 6.417 0.474 3.177 1.00 0.00 C ATOM 1116 O LEU A 76 7.109 0.169 2.209 1.00 0.00 O ATOM 1117 CB LEU A 76 4.045 0.031 2.418 1.00 0.00 C ATOM 1118 CG LEU A 76 3.805 -1.234 3.252 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.806 -2.321 2.895 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.873 -0.927 4.734 1.00 0.00 C ATOM 0 H LEU A 76 5.314 1.964 1.120 1.00 0.00 H new ATOM 0 HA LEU A 76 4.674 1.387 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.084 0.524 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.404 -0.275 1.435 1.00 0.00 H new ATOM 0 HG LEU A 76 2.804 -1.597 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.613 -3.206 3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.707 -2.575 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.817 -1.962 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.700 -1.840 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.858 -0.529 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.111 -0.191 4.988 1.00 0.00 H new ATOM 1132 N ARG A 77 6.825 0.338 4.431 1.00 0.00 N ATOM 1133 CA ARG A 77 8.118 -0.239 4.750 1.00 0.00 C ATOM 1134 C ARG A 77 7.922 -1.456 5.644 1.00 0.00 C ATOM 1135 O ARG A 77 7.048 -1.472 6.517 1.00 0.00 O ATOM 1136 CB ARG A 77 9.061 0.772 5.429 1.00 0.00 C ATOM 1137 CG ARG A 77 8.743 1.063 6.889 1.00 0.00 C ATOM 1138 CD ARG A 77 7.596 2.042 7.036 1.00 0.00 C ATOM 1139 NE ARG A 77 7.958 3.373 6.545 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.454 4.342 7.322 1.00 0.00 C ATOM 1141 NH1 ARG A 77 8.592 4.146 8.630 1.00 0.00 N ATOM 1142 NH2 ARG A 77 8.809 5.509 6.797 1.00 0.00 N ATOM 0 H ARG A 77 6.277 0.621 5.243 1.00 0.00 H new ATOM 0 HA ARG A 77 8.590 -0.534 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.082 0.396 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.029 1.708 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.493 0.132 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.629 1.466 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.730 1.674 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.304 2.107 8.084 1.00 0.00 H new ATOM 0 HE ARG A 77 7.824 3.573 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.319 3.254 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.971 4.887 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.704 5.671 5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.187 6.244 7.395 1.00 0.00 H new ATOM 1156 N ALA A 78 8.723 -2.469 5.401 1.00 0.00 N ATOM 1157 CA ALA A 78 8.669 -3.711 6.160 1.00 0.00 C ATOM 1158 C ALA A 78 9.957 -4.494 5.957 1.00 0.00 C ATOM 1159 O ALA A 78 10.746 -4.173 5.071 1.00 0.00 O ATOM 1160 CB ALA A 78 7.474 -4.549 5.722 1.00 0.00 C ATOM 0 H ALA A 78 9.435 -2.461 4.670 1.00 0.00 H new ATOM 0 HA ALA A 78 8.557 -3.473 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.447 -5.474 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.555 -3.989 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.564 -4.785 4.662 1.00 0.00 H new ATOM 1166 N ARG A 79 10.162 -5.529 6.757 1.00 0.00 N ATOM 1167 CA ARG A 79 11.358 -6.349 6.647 1.00 0.00 C ATOM 1168 C ARG A 79 11.114 -7.420 5.602 1.00 0.00 C ATOM 1169 O ARG A 79 10.265 -8.283 5.782 1.00 0.00 O ATOM 1170 CB ARG A 79 11.707 -7.022 7.985 1.00 0.00 C ATOM 1171 CG ARG A 79 11.451 -6.170 9.222 1.00 0.00 C ATOM 1172 CD ARG A 79 12.044 -4.781 9.093 1.00 0.00 C ATOM 1173 NE ARG A 79 11.816 -3.969 10.288 1.00 0.00 N ATOM 1174 CZ ARG A 79 12.767 -3.311 10.944 1.00 0.00 C ATOM 1175 NH1 ARG A 79 14.037 -3.396 10.564 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.436 -2.567 11.989 1.00 0.00 N ATOM 0 H ARG A 79 9.515 -5.821 7.490 1.00 0.00 H new ATOM 0 HA ARG A 79 12.193 -5.708 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.131 -7.943 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.760 -7.304 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.377 -6.091 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.875 -6.665 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.115 -4.861 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.609 -4.281 8.228 1.00 0.00 H new ATOM 0 HE ARG A 79 10.862 -3.903 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.292 -3.971 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.758 -2.886 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.461 -2.504 12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.156 -2.057 12.501 1.00 0.00 H new ATOM 1190 N LEU A 80 11.857 -7.365 4.516 1.00 0.00 N ATOM 1191 CA LEU A 80 11.691 -8.325 3.438 1.00 0.00 C ATOM 1192 C LEU A 80 12.747 -9.415 3.509 1.00 0.00 C ATOM 1193 O LEU A 80 13.933 -9.135 3.679 1.00 0.00 O ATOM 1194 CB LEU A 80 11.743 -7.609 2.086 1.00 0.00 C ATOM 1195 CG LEU A 80 10.398 -7.101 1.555 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.549 -6.504 2.658 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.609 -6.103 0.433 1.00 0.00 C ATOM 0 H LEU A 80 12.583 -6.667 4.354 1.00 0.00 H new ATOM 0 HA LEU A 80 10.716 -8.800 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.424 -6.762 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.170 -8.290 1.350 1.00 0.00 H new ATOM 0 HG LEU A 80 9.855 -7.958 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.604 -6.155 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.354 -7.261 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.078 -5.665 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.642 -5.754 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.185 -5.255 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.152 -6.581 -0.382 1.00 0.00 H new ATOM 1209 N ARG A 81 12.299 -10.656 3.404 1.00 0.00 N ATOM 1210 CA ARG A 81 13.192 -11.805 3.454 1.00 0.00 C ATOM 1211 C ARG A 81 13.911 -12.002 2.129 1.00 0.00 C ATOM 1212 O ARG A 81 13.328 -11.836 1.057 1.00 0.00 O ATOM 1213 CB ARG A 81 12.412 -13.071 3.852 1.00 0.00 C ATOM 1214 CG ARG A 81 13.220 -14.368 3.801 1.00 0.00 C ATOM 1215 CD ARG A 81 13.015 -15.106 2.486 1.00 0.00 C ATOM 1216 NE ARG A 81 13.516 -16.484 2.528 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.745 -17.560 2.699 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.451 -17.429 2.971 1.00 0.00 N ATOM 1219 NH2 ARG A 81 13.276 -18.772 2.623 1.00 0.00 N ATOM 0 H ARG A 81 11.315 -10.895 3.283 1.00 0.00 H new ATOM 0 HA ARG A 81 13.951 -11.614 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.027 -12.940 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.550 -13.171 3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.279 -14.143 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.927 -15.012 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.953 -15.117 2.242 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.520 -14.564 1.687 1.00 0.00 H new ATOM 0 HE ARG A 81 14.520 -16.630 2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.038 -16.500 3.051 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.871 -18.258 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.272 -18.881 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.688 -19.595 2.753 1.00 0.00 H new ATOM 1233 N ASP A 82 15.184 -12.351 2.229 1.00 0.00 N ATOM 1234 CA ASP A 82 16.026 -12.597 1.063 1.00 0.00 C ATOM 1235 C ASP A 82 16.277 -14.091 0.926 1.00 0.00 C ATOM 1236 O ASP A 82 15.935 -14.848 1.833 1.00 0.00 O ATOM 1237 CB ASP A 82 17.358 -11.849 1.207 1.00 0.00 C ATOM 1238 CG ASP A 82 18.340 -12.129 0.088 1.00 0.00 C ATOM 1239 OD1 ASP A 82 18.141 -11.626 -1.030 1.00 0.00 O ATOM 1240 OD2 ASP A 82 19.311 -12.879 0.329 1.00 0.00 O ATOM 0 H ASP A 82 15.665 -12.472 3.120 1.00 0.00 H new ATOM 0 HA ASP A 82 15.518 -12.234 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 82 17.160 -10.778 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 82 17.817 -12.122 2.157 1.00 0.00 H new ATOM 1245 N CYS A 83 16.878 -14.513 -0.172 1.00 0.00 N ATOM 1246 CA CYS A 83 17.179 -15.925 -0.390 1.00 0.00 C ATOM 1247 C CYS A 83 18.006 -16.501 0.761 1.00 0.00 C ATOM 1248 O CYS A 83 17.941 -17.696 1.053 1.00 0.00 O ATOM 1249 CB CYS A 83 17.935 -16.116 -1.704 1.00 0.00 C ATOM 1250 SG CYS A 83 16.933 -15.860 -3.182 1.00 0.00 S ATOM 0 H CYS A 83 17.170 -13.899 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 83 16.229 -16.458 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 83 18.779 -15.426 -1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 83 18.347 -17.125 -1.729 1.00 0.00 H new ATOM 0 HG CYS A 83 15.792 -15.335 -2.847 1.00 0.00 H new ATOM 1256 N ASN A 84 18.772 -15.640 1.424 1.00 0.00 N ATOM 1257 CA ASN A 84 19.600 -16.060 2.550 1.00 0.00 C ATOM 1258 C ASN A 84 18.720 -16.496 3.725 1.00 0.00 C ATOM 1259 O ASN A 84 19.154 -17.238 4.607 1.00 0.00 O ATOM 1260 CB ASN A 84 20.540 -14.915 2.964 1.00 0.00 C ATOM 1261 CG ASN A 84 21.342 -15.214 4.222 1.00 0.00 C ATOM 1262 OD1 ASN A 84 20.887 -14.698 5.354 1.00 0.00 O flip ATOM 1263 ND2 ASN A 84 22.377 -15.874 4.171 1.00 0.00 N flip ATOM 0 H ASN A 84 18.837 -14.647 1.201 1.00 0.00 H new ATOM 0 HA ASN A 84 20.206 -16.914 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 84 21.228 -14.706 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.951 -14.012 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.695 -16.255 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 84 22.918 -16.041 5.020 1.00 0.00 H new ATOM 1270 N GLY A 85 17.472 -16.046 3.708 1.00 0.00 N ATOM 1271 CA GLY A 85 16.531 -16.391 4.756 1.00 0.00 C ATOM 1272 C GLY A 85 16.627 -15.414 5.894 1.00 0.00 C ATOM 1273 O GLY A 85 16.551 -15.783 7.064 1.00 0.00 O ATOM 0 H GLY A 85 17.092 -15.442 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.517 -16.393 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.734 -17.399 5.117 1.00 0.00 H new ATOM 1277 N GLU A 86 16.792 -14.158 5.527 1.00 0.00 N ATOM 1278 CA GLU A 86 16.935 -13.082 6.488 1.00 0.00 C ATOM 1279 C GLU A 86 15.782 -12.109 6.339 1.00 0.00 C ATOM 1280 O GLU A 86 14.770 -12.430 5.729 1.00 0.00 O ATOM 1281 CB GLU A 86 18.259 -12.354 6.236 1.00 0.00 C ATOM 1282 CG GLU A 86 18.301 -11.634 4.894 1.00 0.00 C ATOM 1283 CD GLU A 86 19.552 -10.807 4.702 1.00 0.00 C ATOM 1284 OE1 GLU A 86 20.633 -11.398 4.531 1.00 0.00 O ATOM 1285 OE2 GLU A 86 19.453 -9.560 4.710 1.00 0.00 O ATOM 0 H GLU A 86 16.831 -13.855 4.554 1.00 0.00 H new ATOM 0 HA GLU A 86 16.929 -13.491 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.427 -11.631 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.076 -13.074 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.232 -12.369 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.428 -10.987 4.809 1.00 0.00 H new ATOM 1292 N PHE A 87 15.946 -10.928 6.895 1.00 0.00 N ATOM 1293 CA PHE A 87 14.938 -9.892 6.801 1.00 0.00 C ATOM 1294 C PHE A 87 15.629 -8.546 6.701 1.00 0.00 C ATOM 1295 O PHE A 87 16.519 -8.223 7.489 1.00 0.00 O ATOM 1296 CB PHE A 87 13.971 -9.940 7.996 1.00 0.00 C ATOM 1297 CG PHE A 87 14.620 -9.764 9.345 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.227 -10.835 9.983 1.00 0.00 C ATOM 1299 CD2 PHE A 87 14.615 -8.529 9.976 1.00 0.00 C ATOM 1300 CE1 PHE A 87 15.818 -10.675 11.222 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.204 -8.364 11.213 1.00 0.00 C ATOM 1302 CZ PHE A 87 15.808 -9.437 11.836 1.00 0.00 C ATOM 0 H PHE A 87 16.777 -10.659 7.422 1.00 0.00 H new ATOM 0 HA PHE A 87 14.336 -10.055 5.907 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.218 -9.162 7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.447 -10.896 7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.238 -11.804 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.144 -7.686 9.493 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.287 -11.517 11.710 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.192 -7.397 11.693 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.273 -9.309 12.803 1.00 0.00 H new ATOM 1312 N HIS A 88 15.239 -7.779 5.709 1.00 0.00 N ATOM 1313 CA HIS A 88 15.821 -6.474 5.484 1.00 0.00 C ATOM 1314 C HIS A 88 14.720 -5.474 5.181 1.00 0.00 C ATOM 1315 O HIS A 88 13.974 -5.633 4.217 1.00 0.00 O ATOM 1316 CB HIS A 88 16.827 -6.544 4.335 1.00 0.00 C ATOM 1317 CG HIS A 88 18.200 -6.072 4.709 1.00 0.00 C ATOM 1318 ND1 HIS A 88 19.250 -6.929 4.958 1.00 0.00 N ATOM 1319 CD2 HIS A 88 18.696 -4.823 4.864 1.00 0.00 C ATOM 1320 CE1 HIS A 88 20.327 -6.227 5.252 1.00 0.00 C ATOM 1321 NE2 HIS A 88 20.020 -4.946 5.201 1.00 0.00 N ATOM 0 H HIS A 88 14.515 -8.039 5.039 1.00 0.00 H new ATOM 0 HA HIS A 88 16.350 -6.148 6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.890 -7.573 3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.459 -5.942 3.504 1.00 0.00 H new ATOM 0 HD1 HIS A 88 19.202 -7.947 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.150 -3.899 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 88 21.298 -6.633 5.494 1.00 0.00 H new ATOM 1330 N ASP A 89 14.608 -4.466 6.025 1.00 0.00 N ATOM 1331 CA ASP A 89 13.581 -3.444 5.878 1.00 0.00 C ATOM 1332 C ASP A 89 13.688 -2.693 4.555 1.00 0.00 C ATOM 1333 O ASP A 89 14.682 -2.027 4.272 1.00 0.00 O ATOM 1334 CB ASP A 89 13.630 -2.454 7.052 1.00 0.00 C ATOM 1335 CG ASP A 89 14.924 -1.660 7.123 1.00 0.00 C ATOM 1336 OD1 ASP A 89 15.971 -2.246 7.491 1.00 0.00 O ATOM 1337 OD2 ASP A 89 14.900 -0.449 6.816 1.00 0.00 O ATOM 0 H ASP A 89 15.221 -4.330 6.829 1.00 0.00 H new ATOM 0 HA ASP A 89 12.621 -3.961 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.792 -1.762 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.498 -3.002 7.985 1.00 0.00 H new ATOM 1342 N ARG A 90 12.674 -2.853 3.719 1.00 0.00 N ATOM 1343 CA ARG A 90 12.616 -2.148 2.456 1.00 0.00 C ATOM 1344 C ARG A 90 11.427 -1.204 2.491 1.00 0.00 C ATOM 1345 O ARG A 90 10.647 -1.228 3.444 1.00 0.00 O ATOM 1346 CB ARG A 90 12.494 -3.123 1.288 1.00 0.00 C ATOM 1347 CG ARG A 90 13.649 -4.102 1.186 1.00 0.00 C ATOM 1348 CD ARG A 90 14.992 -3.397 1.038 1.00 0.00 C ATOM 1349 NE ARG A 90 16.062 -4.354 0.755 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.331 -4.210 1.133 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.732 -3.107 1.751 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.208 -5.170 0.865 1.00 0.00 N ATOM 0 H ARG A 90 11.880 -3.468 3.897 1.00 0.00 H new ATOM 0 HA ARG A 90 13.537 -1.584 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.564 -3.682 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.427 -2.557 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.668 -4.732 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.490 -4.760 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.934 -2.663 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.222 -2.850 1.952 1.00 0.00 H new ATOM 0 HE ARG A 90 15.818 -5.193 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.066 -2.358 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.706 -3.008 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.908 -6.011 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.181 -5.066 1.152 1.00 0.00 H new ATOM 1366 N ASP A 91 11.267 -0.398 1.459 1.00 0.00 N ATOM 1367 CA ASP A 91 10.182 0.558 1.410 1.00 0.00 C ATOM 1368 C ASP A 91 9.683 0.690 -0.007 1.00 0.00 C ATOM 1369 O ASP A 91 10.453 0.580 -0.963 1.00 0.00 O ATOM 1370 CB ASP A 91 10.633 1.921 1.938 1.00 0.00 C ATOM 1371 CG ASP A 91 11.782 2.515 1.144 1.00 0.00 C ATOM 1372 OD1 ASP A 91 12.930 2.049 1.304 1.00 0.00 O ATOM 1373 OD2 ASP A 91 11.543 3.464 0.368 1.00 0.00 O ATOM 0 H ASP A 91 11.877 -0.388 0.642 1.00 0.00 H new ATOM 0 HA ASP A 91 9.373 0.198 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.789 2.610 1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.934 1.819 2.981 1.00 0.00 H new ATOM 1378 N VAL A 92 8.396 0.912 -0.142 1.00 0.00 N ATOM 1379 CA VAL A 92 7.798 1.045 -1.448 1.00 0.00 C ATOM 1380 C VAL A 92 6.823 2.206 -1.481 1.00 0.00 C ATOM 1381 O VAL A 92 6.119 2.480 -0.506 1.00 0.00 O ATOM 1382 CB VAL A 92 7.089 -0.255 -1.879 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.915 -0.580 -0.968 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.661 -0.177 -3.328 1.00 0.00 C ATOM 0 H VAL A 92 7.744 1.004 0.637 1.00 0.00 H new ATOM 0 HA VAL A 92 8.603 1.243 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 92 7.803 -1.073 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.440 -1.502 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.272 -0.705 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.191 0.234 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.163 -1.104 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.974 0.659 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.537 -0.029 -3.959 1.00 0.00 H new ATOM 1394 N ASN A 93 6.796 2.879 -2.611 1.00 0.00 N ATOM 1395 CA ASN A 93 5.927 4.023 -2.803 1.00 0.00 C ATOM 1396 C ASN A 93 4.524 3.565 -3.170 1.00 0.00 C ATOM 1397 O ASN A 93 4.295 3.052 -4.266 1.00 0.00 O ATOM 1398 CB ASN A 93 6.494 4.940 -3.890 1.00 0.00 C ATOM 1399 CG ASN A 93 7.525 5.916 -3.351 1.00 0.00 C ATOM 1400 OD1 ASN A 93 8.791 5.541 -3.410 1.00 0.00 O flip ATOM 1401 ND2 ASN A 93 7.184 7.010 -2.902 1.00 0.00 N flip ATOM 0 H ASN A 93 7.373 2.651 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 93 5.873 4.583 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.949 4.332 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.679 5.497 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.197 7.264 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.889 7.663 -2.559 1.00 0.00 H new ATOM 1408 N LEU A 94 3.582 3.766 -2.256 1.00 0.00 N ATOM 1409 CA LEU A 94 2.200 3.356 -2.474 1.00 0.00 C ATOM 1410 C LEU A 94 1.467 4.360 -3.361 1.00 0.00 C ATOM 1411 O LEU A 94 0.285 4.194 -3.652 1.00 0.00 O ATOM 1412 CB LEU A 94 1.449 3.189 -1.145 1.00 0.00 C ATOM 1413 CG LEU A 94 1.991 2.124 -0.184 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.861 1.537 0.642 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.725 1.019 -0.928 1.00 0.00 C ATOM 0 H LEU A 94 3.751 4.212 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 94 2.225 2.390 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.452 4.149 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.409 2.950 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 94 2.706 2.610 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.260 0.782 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.384 2.328 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.127 1.078 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.095 0.283 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.043 0.536 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.565 1.445 -1.477 1.00 0.00 H new ATOM 1427 N ASN A 95 2.183 5.398 -3.792 1.00 0.00 N ATOM 1428 CA ASN A 95 1.616 6.426 -4.673 1.00 0.00 C ATOM 1429 C ASN A 95 1.167 5.809 -5.988 1.00 0.00 C ATOM 1430 O ASN A 95 0.428 6.421 -6.759 1.00 0.00 O ATOM 1431 CB ASN A 95 2.634 7.534 -4.967 1.00 0.00 C ATOM 1432 CG ASN A 95 3.260 8.100 -3.716 1.00 0.00 C ATOM 1433 OD1 ASN A 95 4.425 7.587 -3.378 1.00 0.00 O flip ATOM 1434 ND2 ASN A 95 2.725 9.009 -3.086 1.00 0.00 N flip ATOM 0 H ASN A 95 3.161 5.552 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 95 0.761 6.861 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.418 7.139 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.142 8.336 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.821 9.374 -3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.185 9.398 -2.263 1.00 0.00 H new ATOM 1441 N ARG A 96 1.643 4.600 -6.259 1.00 0.00 N ATOM 1442 CA ARG A 96 1.275 3.892 -7.473 1.00 0.00 C ATOM 1443 C ARG A 96 -0.220 3.607 -7.468 1.00 0.00 C ATOM 1444 O ARG A 96 -0.864 3.554 -8.512 1.00 0.00 O ATOM 1445 CB ARG A 96 2.052 2.580 -7.581 1.00 0.00 C ATOM 1446 CG ARG A 96 3.476 2.721 -8.105 1.00 0.00 C ATOM 1447 CD ARG A 96 4.304 3.723 -7.309 1.00 0.00 C ATOM 1448 NE ARG A 96 4.198 5.082 -7.837 1.00 0.00 N ATOM 1449 CZ ARG A 96 5.247 5.843 -8.143 1.00 0.00 C ATOM 1450 NH1 ARG A 96 6.476 5.345 -8.077 1.00 0.00 N ATOM 1451 NH2 ARG A 96 5.062 7.090 -8.555 1.00 0.00 N ATOM 0 H ARG A 96 2.285 4.091 -5.652 1.00 0.00 H new ATOM 0 HA ARG A 96 1.522 4.516 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.087 2.113 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.504 1.903 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.966 1.748 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.444 3.032 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.978 3.714 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.349 3.414 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 96 3.266 5.470 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.619 4.376 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.277 5.931 -8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.117 7.465 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.865 7.674 -8.790 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.760 3.447 -6.269 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.166 3.161 -6.079 1.00 0.00 C ATOM 1467 C ILE A 97 -3.010 4.407 -6.315 1.00 0.00 C ATOM 1468 O ILE A 97 -2.724 5.481 -5.781 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.411 2.629 -4.656 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.510 1.422 -4.400 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -3.873 2.252 -4.466 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.132 1.250 -2.950 1.00 0.00 C ATOM 0 H ILE A 97 -0.230 3.513 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.459 2.401 -6.803 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.171 3.414 -3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.017 0.521 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.602 1.524 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.024 1.878 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.499 3.130 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.145 1.477 -5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.492 0.374 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.597 2.135 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.034 1.116 -2.352 1.00 0.00 H new ATOM 1484 N GLN A 98 -4.046 4.254 -7.117 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.935 5.347 -7.437 1.00 0.00 C ATOM 1486 C GLN A 98 -6.368 4.999 -7.065 1.00 0.00 C ATOM 1487 O GLN A 98 -6.682 3.847 -6.763 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.836 5.703 -8.918 1.00 0.00 C ATOM 1489 CG GLN A 98 -4.758 4.508 -9.851 1.00 0.00 C ATOM 1490 CD GLN A 98 -4.740 4.918 -11.309 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -5.322 5.937 -11.688 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -4.053 4.148 -12.135 1.00 0.00 N ATOM 0 H GLN A 98 -4.292 3.370 -7.562 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.632 6.217 -6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.702 6.306 -9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.954 6.325 -9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.860 3.932 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.610 3.853 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.585 3.313 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.991 4.389 -13.124 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.222 6.008 -7.081 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.625 5.842 -6.733 1.00 0.00 C ATOM 1503 C ASN A 99 -9.523 6.044 -7.945 1.00 0.00 C ATOM 1504 O ASN A 99 -9.497 7.097 -8.583 1.00 0.00 O ATOM 1505 CB ASN A 99 -9.009 6.824 -5.623 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.506 7.058 -5.537 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -11.235 6.270 -4.947 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -10.971 8.154 -6.121 1.00 0.00 N ATOM 0 H ASN A 99 -6.965 6.962 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.767 4.822 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.650 6.443 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.506 7.776 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.968 8.365 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.331 8.786 -6.603 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.307 5.027 -8.262 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.225 5.093 -9.386 1.00 0.00 C ATOM 1517 C VAL A 100 -12.665 5.068 -8.895 1.00 0.00 C ATOM 1518 O VAL A 100 -13.225 4.003 -8.647 1.00 0.00 O ATOM 1519 CB VAL A 100 -11.004 3.934 -10.381 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.909 4.085 -11.598 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.545 3.861 -10.800 1.00 0.00 C ATOM 0 H VAL A 100 -10.326 4.143 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.028 6.030 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.264 3.001 -9.881 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.736 3.257 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.951 4.080 -11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.688 5.026 -12.101 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.409 3.038 -11.501 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.257 4.797 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.922 3.696 -9.921 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.237 6.254 -8.722 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.620 6.411 -8.267 1.00 0.00 C ATOM 1533 C ASN A 101 -14.864 5.728 -6.916 1.00 0.00 C ATOM 1534 O ASN A 101 -15.983 5.328 -6.600 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.598 5.872 -9.315 1.00 0.00 C ATOM 1536 CG ASN A 101 -17.023 6.348 -9.077 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.242 7.440 -8.545 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.995 5.540 -9.464 1.00 0.00 N ATOM 0 H ASN A 101 -12.757 7.138 -8.893 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.793 7.479 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.273 6.187 -10.307 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.575 4.782 -9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.969 5.811 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.771 4.645 -9.900 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.816 5.592 -6.122 1.00 0.00 N ATOM 1546 CA GLY A 102 -13.965 4.992 -4.804 1.00 0.00 C ATOM 1547 C GLY A 102 -13.335 3.618 -4.680 1.00 0.00 C ATOM 1548 O GLY A 102 -13.690 2.850 -3.785 1.00 0.00 O ATOM 0 H GLY A 102 -12.868 5.883 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.519 5.654 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.026 4.917 -4.567 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.417 3.288 -5.579 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.752 1.993 -5.522 1.00 0.00 C ATOM 1554 C ARG A 103 -10.236 2.155 -5.621 1.00 0.00 C ATOM 1555 O ARG A 103 -9.735 2.937 -6.435 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.275 1.070 -6.630 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.751 1.391 -8.020 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.414 0.528 -9.079 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.865 0.706 -9.084 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.698 0.069 -9.906 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -14.227 -0.757 -10.834 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -16.005 0.267 -9.793 1.00 0.00 N ATOM 0 H ARG A 103 -12.119 3.890 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.979 1.535 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -12.009 0.042 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.364 1.123 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.929 2.443 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.672 1.238 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.012 0.781 -10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.176 -0.520 -8.897 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.266 1.362 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.222 -0.907 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.871 -1.241 -11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.365 0.903 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.650 -0.216 -10.418 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.520 1.443 -4.765 1.00 0.00 N ATOM 1577 CA LEU A 104 -8.064 1.477 -4.749 1.00 0.00 C ATOM 1578 C LEU A 104 -7.481 0.479 -5.740 1.00 0.00 C ATOM 1579 O LEU A 104 -7.797 -0.709 -5.693 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.552 1.162 -3.342 1.00 0.00 C ATOM 1581 CG LEU A 104 -7.002 2.353 -2.558 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -7.972 3.519 -2.600 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -6.719 1.949 -1.118 1.00 0.00 C ATOM 0 H LEU A 104 -9.929 0.826 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.745 2.478 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.366 0.718 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.769 0.408 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.069 2.670 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.560 4.356 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.131 3.823 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.923 3.218 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.328 2.806 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.641 1.608 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.985 1.143 -1.104 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.641 0.962 -6.641 1.00 0.00 N ATOM 1596 CA VAL A 105 -6.006 0.098 -7.622 1.00 0.00 C ATOM 1597 C VAL A 105 -4.521 0.440 -7.723 1.00 0.00 C ATOM 1598 O VAL A 105 -4.151 1.609 -7.811 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.694 0.201 -9.008 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.730 1.634 -9.507 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -6.010 -0.701 -10.024 1.00 0.00 C ATOM 0 H VAL A 105 -6.383 1.946 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.113 -0.935 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.723 -0.136 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.219 1.668 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.285 2.251 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.712 2.013 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.512 -0.610 -10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.966 -0.405 -10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.061 -1.736 -9.685 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.675 -0.581 -7.684 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.234 -0.374 -7.745 1.00 0.00 C ATOM 1613 C PHE A 106 -1.787 -0.116 -9.185 1.00 0.00 C ATOM 1614 O PHE A 106 -2.278 -0.761 -10.113 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.493 -1.580 -7.145 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.427 -2.786 -8.045 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.581 -3.411 -8.489 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.201 -3.294 -8.445 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.513 -4.514 -9.318 1.00 0.00 C ATOM 1620 CE2 PHE A 106 -0.129 -4.398 -9.272 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.286 -5.008 -9.709 1.00 0.00 C ATOM 0 H PHE A 106 -3.960 -1.558 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.984 0.507 -7.153 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.477 -1.276 -6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.983 -1.864 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.545 -3.032 -8.183 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.709 -2.821 -8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.420 -4.989 -9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.833 -4.783 -9.576 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.231 -5.871 -10.356 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.848 0.825 -9.334 1.00 0.00 N ATOM 1632 CA GLN A 107 -0.296 1.251 -10.630 1.00 0.00 C ATOM 1633 C GLN A 107 -1.334 1.219 -11.762 1.00 0.00 C ATOM 1634 O GLN A 107 -2.161 2.154 -11.830 1.00 0.00 O ATOM 1635 CB GLN A 107 0.967 0.453 -11.000 1.00 0.00 C ATOM 1636 CG GLN A 107 0.784 -1.055 -11.083 1.00 0.00 C ATOM 1637 CD GLN A 107 2.045 -1.760 -11.529 1.00 0.00 C ATOM 1638 OE1 GLN A 107 2.865 -1.193 -12.253 1.00 0.00 O ATOM 1639 NE2 GLN A 107 2.208 -3.006 -11.116 1.00 0.00 N ATOM 1640 OXT GLN A 107 -1.313 0.282 -12.589 1.00 0.00 O ATOM 0 H GLN A 107 -0.441 1.323 -8.543 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.006 2.295 -10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.334 0.811 -11.962 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.741 0.668 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.482 -1.437 -10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.023 -1.284 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.506 -3.441 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.036 -3.532 -11.396 1.00 0.00 H new TER 1649 GLN A 107