USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 62 LYS NZ :NH3+ 180:sc= -0.152! (180deg=-0.075) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.873! C(o=-1!,f=-17!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -112:sc= 1.08 (180deg=1) USER MOD Set 2.2: A 60 SER OG : rot -37:sc= -3.95! USER MOD Set 3.1: A 48 ASN : amide:sc= -2.15! C(o=-0.23!,f=-9.7!) USER MOD Set 3.2: A 52 SER OG : rot -82:sc= 1.92 USER MOD Set 4.1: A 28 THR OG1 : rot -47:sc= 0.7 USER MOD Set 4.2: A 75 THR OG1 : rot 20:sc= 0.866 USER MOD Set 5.1: A 22 THR OG1 : rot 180:sc= 0.626 USER MOD Set 5.2: A 102 THR OG1 : rot 145:sc= 0.612 USER MOD Set 6.1: A 6 LYS NZ :NH3+ -118:sc= -2.01! (180deg=-3.87!) USER MOD Set 6.2: A 9 SER OG : rot -100:sc= 1.78 USER MOD Set 7.1: A 1 GLU N :NH3+ -154:sc= -3.81! (180deg=-6.29!) USER MOD Set 7.2: A 3 TYR OH : rot 33:sc= 1.54 USER MOD Set 7.3: A 24 LYS NZ :NH3+ -118:sc= -1.46! (180deg=-4.38!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 4 THR OG1 : rot 62:sc= 0.404 USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 0.614 (180deg=-2.19!) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.253) USER MOD Single : A 33 ASN : amide:sc= -1.33! C(o=-1.3!,f=-8.5!) USER MOD Single : A 34 ASN : amide:sc= -1.16! C(o=-1.2!,f=-7!) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0.638! (180deg=0.448!) USER MOD Single : A 40 ASN : amide:sc= -6.57! C(o=-6.6!,f=-9!) USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= 2.28 (180deg=-0.691) USER MOD Single : A 58 SER OG : rot 107:sc= 1.12 USER MOD Single : A 61 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-0.45) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 70 GLN : amide:sc= 0.719 K(o=0.72,f=-0.038) USER MOD Single : A 71 SER OG : rot -85:sc= 0.836 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.207 USER MOD Single : A 85 TYR OH : rot 84:sc= 0.0796 USER MOD Single : A 86 THR OG1 : rot -119:sc= -4.45! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -150:sc= -1.81 (180deg=-3.23!) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= -0.926 (180deg=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.064 -5.887 -15.190 1.00 0.00 N ATOM 2 CA GLU A 1 -4.345 -5.269 -16.327 1.00 0.00 C ATOM 3 C GLU A 1 -3.760 -3.934 -15.814 1.00 0.00 C ATOM 4 O GLU A 1 -3.930 -3.622 -14.657 1.00 0.00 O ATOM 5 CB GLU A 1 -5.344 -5.030 -17.509 1.00 0.00 C ATOM 6 CG GLU A 1 -5.933 -6.393 -18.062 1.00 0.00 C ATOM 7 CD GLU A 1 -6.666 -7.192 -17.025 1.00 0.00 C ATOM 8 OE1 GLU A 1 -6.005 -7.903 -16.299 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.865 -7.064 -16.956 1.00 0.00 O ATOM 0 H1 GLU A 1 -5.091 -6.919 -15.316 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.571 -5.660 -14.303 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.035 -5.517 -15.151 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.546 -5.911 -16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -6.160 -4.391 -17.172 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -4.835 -4.500 -18.314 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.610 -6.178 -18.889 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.118 -6.995 -18.464 1.00 0.00 H new ATOM 18 N THR A 2 -3.096 -3.182 -16.644 1.00 0.00 N ATOM 19 CA THR A 2 -2.474 -1.834 -16.298 1.00 0.00 C ATOM 20 C THR A 2 -3.412 -0.834 -15.592 1.00 0.00 C ATOM 21 O THR A 2 -3.811 0.186 -16.119 1.00 0.00 O ATOM 22 CB THR A 2 -1.963 -1.170 -17.577 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.082 -1.316 -18.435 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.948 -1.993 -18.319 1.00 0.00 C ATOM 0 H THR A 2 -2.940 -3.451 -17.616 1.00 0.00 H new ATOM 0 HA THR A 2 -1.678 -2.066 -15.591 1.00 0.00 H new ATOM 0 HB THR A 2 -1.557 -0.187 -17.339 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.879 -0.920 -19.308 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.631 -1.459 -19.215 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.085 -2.170 -17.678 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.391 -2.947 -18.603 1.00 0.00 H new ATOM 32 N TYR A 3 -3.749 -1.158 -14.383 1.00 0.00 N ATOM 33 CA TYR A 3 -4.652 -0.288 -13.563 1.00 0.00 C ATOM 34 C TYR A 3 -3.813 0.831 -12.899 1.00 0.00 C ATOM 35 O TYR A 3 -3.066 0.600 -11.971 1.00 0.00 O ATOM 36 CB TYR A 3 -5.354 -1.191 -12.489 1.00 0.00 C ATOM 37 CG TYR A 3 -6.079 -2.398 -13.118 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.797 -2.263 -14.289 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.031 -3.642 -12.514 1.00 0.00 C ATOM 40 CE1 TYR A 3 -7.455 -3.340 -14.848 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.692 -4.714 -13.078 1.00 0.00 C ATOM 42 CZ TYR A 3 -7.400 -4.562 -14.242 1.00 0.00 C ATOM 43 OH TYR A 3 -8.033 -5.650 -14.790 1.00 0.00 O ATOM 0 H TYR A 3 -3.435 -2.005 -13.910 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.414 0.186 -14.182 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.610 -1.548 -11.777 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.071 -0.592 -11.928 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.845 -1.300 -14.775 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.474 -3.774 -11.598 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.013 -3.216 -15.764 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.651 -5.681 -12.598 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.019 -5.579 -15.767 1.00 0.00 H new ATOM 53 N THR A 4 -3.962 2.019 -13.405 1.00 0.00 N ATOM 54 CA THR A 4 -3.224 3.232 -12.891 1.00 0.00 C ATOM 55 C THR A 4 -3.674 3.723 -11.515 1.00 0.00 C ATOM 56 O THR A 4 -4.383 4.703 -11.384 1.00 0.00 O ATOM 57 CB THR A 4 -3.392 4.369 -13.906 1.00 0.00 C ATOM 58 OG1 THR A 4 -4.797 4.442 -14.068 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.982 3.959 -15.300 1.00 0.00 C ATOM 0 H THR A 4 -4.587 2.219 -14.185 1.00 0.00 H new ATOM 0 HA THR A 4 -2.184 2.930 -12.772 1.00 0.00 H new ATOM 0 HB THR A 4 -2.837 5.243 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.214 4.672 -13.211 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.120 4.799 -15.981 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.933 3.661 -15.298 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.597 3.121 -15.628 1.00 0.00 H new ATOM 67 N VAL A 5 -3.249 3.004 -10.518 1.00 0.00 N ATOM 68 CA VAL A 5 -3.595 3.349 -9.098 1.00 0.00 C ATOM 69 C VAL A 5 -3.203 4.814 -8.777 1.00 0.00 C ATOM 70 O VAL A 5 -2.130 5.275 -9.135 1.00 0.00 O ATOM 71 CB VAL A 5 -2.842 2.352 -8.170 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.139 2.656 -6.688 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.286 0.908 -8.462 1.00 0.00 C ATOM 0 H VAL A 5 -2.665 2.174 -10.621 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.670 3.266 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.775 2.463 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.603 1.947 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.815 3.670 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.210 2.566 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.750 0.223 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.358 0.815 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.065 0.662 -9.501 1.00 0.00 H new ATOM 83 N LYS A 6 -4.082 5.488 -8.088 1.00 0.00 N ATOM 84 CA LYS A 6 -3.861 6.915 -7.703 1.00 0.00 C ATOM 85 C LYS A 6 -3.760 6.957 -6.152 1.00 0.00 C ATOM 86 O LYS A 6 -4.676 6.826 -5.364 1.00 0.00 O ATOM 87 CB LYS A 6 -5.060 7.704 -8.372 1.00 0.00 C ATOM 88 CG LYS A 6 -6.461 7.572 -7.716 1.00 0.00 C ATOM 89 CD LYS A 6 -6.609 8.684 -6.630 1.00 0.00 C ATOM 90 CE LYS A 6 -8.026 9.229 -6.524 1.00 0.00 C ATOM 91 NZ LYS A 6 -7.987 10.171 -5.376 1.00 0.00 N ATOM 0 H LYS A 6 -4.969 5.100 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.941 7.385 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.797 8.762 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.142 7.376 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.242 7.672 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.577 6.586 -7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.307 8.282 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.927 9.503 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.324 9.736 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.746 8.428 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.633 9.838 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.019 10.219 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.282 11.117 -5.693 1.00 0.00 H new ATOM 105 N LEU A 7 -2.544 7.140 -5.761 1.00 0.00 N ATOM 106 CA LEU A 7 -2.127 7.212 -4.330 1.00 0.00 C ATOM 107 C LEU A 7 -2.432 8.569 -3.612 1.00 0.00 C ATOM 108 O LEU A 7 -1.588 9.281 -3.101 1.00 0.00 O ATOM 109 CB LEU A 7 -0.640 6.792 -4.483 1.00 0.00 C ATOM 110 CG LEU A 7 0.284 7.909 -4.981 1.00 0.00 C ATOM 111 CD1 LEU A 7 1.493 7.259 -5.650 1.00 0.00 C ATOM 112 CD2 LEU A 7 -0.348 8.886 -5.966 1.00 0.00 C ATOM 0 H LEU A 7 -1.767 7.251 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.685 6.580 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.274 6.437 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.581 5.952 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 7 0.545 8.502 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.168 8.034 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.016 6.633 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.160 6.646 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.387 9.636 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.684 8.345 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.200 9.376 -5.496 1.00 0.00 H new ATOM 124 N GLY A 8 -3.700 8.871 -3.609 1.00 0.00 N ATOM 125 CA GLY A 8 -4.233 10.136 -2.975 1.00 0.00 C ATOM 126 C GLY A 8 -5.047 10.966 -3.949 1.00 0.00 C ATOM 127 O GLY A 8 -5.109 10.683 -5.129 1.00 0.00 O ATOM 0 H GLY A 8 -4.420 8.283 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.852 9.877 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.400 10.731 -2.600 1.00 0.00 H new ATOM 131 N SER A 9 -5.677 12.001 -3.486 1.00 0.00 N ATOM 132 CA SER A 9 -6.492 12.822 -4.455 1.00 0.00 C ATOM 133 C SER A 9 -6.053 14.254 -4.719 1.00 0.00 C ATOM 134 O SER A 9 -5.415 14.924 -3.929 1.00 0.00 O ATOM 135 CB SER A 9 -7.953 12.888 -4.003 1.00 0.00 C ATOM 136 OG SER A 9 -8.589 12.885 -5.286 1.00 0.00 O ATOM 0 H SER A 9 -5.675 12.318 -2.517 1.00 0.00 H new ATOM 0 HA SER A 9 -6.338 12.283 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.242 12.035 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.174 13.786 -3.426 1.00 0.00 H new ATOM 0 HG SER A 9 -8.840 13.801 -5.529 1.00 0.00 H new ATOM 142 N ASP A 10 -6.477 14.626 -5.886 1.00 0.00 N ATOM 143 CA ASP A 10 -6.243 15.953 -6.497 1.00 0.00 C ATOM 144 C ASP A 10 -6.144 17.133 -5.487 1.00 0.00 C ATOM 145 O ASP A 10 -5.250 17.958 -5.541 1.00 0.00 O ATOM 146 CB ASP A 10 -7.394 16.082 -7.519 1.00 0.00 C ATOM 147 CG ASP A 10 -8.700 16.347 -6.844 1.00 0.00 C ATOM 148 OD1 ASP A 10 -9.113 15.561 -6.011 1.00 0.00 O ATOM 149 OD2 ASP A 10 -9.260 17.358 -7.183 1.00 0.00 O ATOM 0 H ASP A 10 -7.022 14.007 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.261 16.018 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.173 16.890 -8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.466 15.166 -8.105 1.00 0.00 H new ATOM 154 N LYS A 11 -7.076 17.159 -4.590 1.00 0.00 N ATOM 155 CA LYS A 11 -7.159 18.221 -3.526 1.00 0.00 C ATOM 156 C LYS A 11 -6.064 18.169 -2.420 1.00 0.00 C ATOM 157 O LYS A 11 -6.249 18.703 -1.349 1.00 0.00 O ATOM 158 CB LYS A 11 -8.561 18.081 -2.938 1.00 0.00 C ATOM 159 CG LYS A 11 -9.498 18.500 -4.058 1.00 0.00 C ATOM 160 CD LYS A 11 -10.899 18.027 -3.736 1.00 0.00 C ATOM 161 CE LYS A 11 -11.752 18.271 -4.953 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.445 17.205 -5.948 1.00 0.00 N ATOM 0 H LYS A 11 -7.821 16.465 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.972 19.194 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.756 17.056 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.686 18.715 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.485 19.584 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.166 18.074 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.896 16.968 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.297 18.565 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.809 18.253 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.546 19.256 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.314 16.945 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.738 17.556 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.069 16.369 -5.456 1.00 0.00 H new ATOM 176 N GLY A 12 -4.953 17.537 -2.700 1.00 0.00 N ATOM 177 CA GLY A 12 -3.841 17.445 -1.665 1.00 0.00 C ATOM 178 C GLY A 12 -4.314 16.533 -0.535 1.00 0.00 C ATOM 179 O GLY A 12 -4.046 16.730 0.632 1.00 0.00 O ATOM 0 H GLY A 12 -4.754 17.079 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.932 17.049 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.599 18.435 -1.278 1.00 0.00 H new ATOM 183 N LEU A 13 -5.008 15.519 -0.956 1.00 0.00 N ATOM 184 CA LEU A 13 -5.579 14.509 -0.006 1.00 0.00 C ATOM 185 C LEU A 13 -4.825 13.162 0.066 1.00 0.00 C ATOM 186 O LEU A 13 -4.883 12.372 -0.857 1.00 0.00 O ATOM 187 CB LEU A 13 -7.062 14.282 -0.434 1.00 0.00 C ATOM 188 CG LEU A 13 -7.919 15.548 -0.275 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.307 15.250 -0.850 1.00 0.00 C ATOM 190 CD2 LEU A 13 -8.127 15.837 1.210 1.00 0.00 C ATOM 0 H LEU A 13 -5.212 15.337 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.483 14.911 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.091 13.955 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.491 13.479 0.165 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.430 16.385 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.939 16.132 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.215 14.986 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.756 14.419 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.735 16.735 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.635 14.993 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.160 15.990 1.690 1.00 0.00 H new ATOM 202 N LEU A 14 -4.143 12.924 1.151 1.00 0.00 N ATOM 203 CA LEU A 14 -3.376 11.637 1.321 1.00 0.00 C ATOM 204 C LEU A 14 -4.278 10.383 1.544 1.00 0.00 C ATOM 205 O LEU A 14 -4.433 9.845 2.631 1.00 0.00 O ATOM 206 CB LEU A 14 -2.390 11.851 2.509 1.00 0.00 C ATOM 207 CG LEU A 14 -1.254 12.800 2.093 1.00 0.00 C ATOM 208 CD1 LEU A 14 -0.429 13.153 3.322 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.314 12.076 1.114 1.00 0.00 C ATOM 0 H LEU A 14 -4.078 13.566 1.941 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.845 11.418 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.924 12.265 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.976 10.893 2.825 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.685 13.690 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.379 13.826 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.065 13.643 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.009 12.244 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.492 12.748 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.108 11.195 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.874 11.771 0.230 1.00 0.00 H new ATOM 221 N VAL A 15 -4.854 9.998 0.445 1.00 0.00 N ATOM 222 CA VAL A 15 -5.781 8.815 0.326 1.00 0.00 C ATOM 223 C VAL A 15 -5.055 7.738 -0.540 1.00 0.00 C ATOM 224 O VAL A 15 -3.940 7.957 -0.969 1.00 0.00 O ATOM 225 CB VAL A 15 -7.097 9.309 -0.360 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.243 8.295 -0.227 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.595 10.638 0.219 1.00 0.00 C ATOM 0 H VAL A 15 -4.716 10.483 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.033 8.381 1.293 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.830 9.436 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.133 8.686 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.953 7.354 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.457 8.125 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.511 10.937 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.795 10.519 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.834 11.405 0.077 1.00 0.00 H new ATOM 237 N PHE A 16 -5.651 6.608 -0.781 1.00 0.00 N ATOM 238 CA PHE A 16 -4.980 5.554 -1.624 1.00 0.00 C ATOM 239 C PHE A 16 -6.078 4.827 -2.438 1.00 0.00 C ATOM 240 O PHE A 16 -6.737 3.944 -1.922 1.00 0.00 O ATOM 241 CB PHE A 16 -4.209 4.598 -0.659 1.00 0.00 C ATOM 242 CG PHE A 16 -2.941 4.019 -1.324 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.726 4.009 -2.693 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.963 3.499 -0.505 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.556 3.495 -3.222 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.795 2.983 -1.027 1.00 0.00 C ATOM 247 CZ PHE A 16 -0.590 2.982 -2.385 1.00 0.00 C ATOM 0 H PHE A 16 -6.577 6.357 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.262 5.969 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.931 5.140 0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.865 3.783 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.481 4.407 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.113 3.495 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.400 3.496 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.041 2.579 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.325 2.581 -2.795 1.00 0.00 H new ATOM 257 N GLU A 17 -6.269 5.186 -3.675 1.00 0.00 N ATOM 258 CA GLU A 17 -7.328 4.526 -4.515 1.00 0.00 C ATOM 259 C GLU A 17 -6.808 3.683 -5.733 1.00 0.00 C ATOM 260 O GLU A 17 -6.097 4.193 -6.579 1.00 0.00 O ATOM 261 CB GLU A 17 -8.241 5.700 -4.926 1.00 0.00 C ATOM 262 CG GLU A 17 -8.754 6.416 -3.602 1.00 0.00 C ATOM 263 CD GLU A 17 -8.744 7.914 -3.748 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.743 8.435 -4.192 1.00 0.00 O ATOM 265 OE2 GLU A 17 -7.740 8.534 -3.438 1.00 0.00 O ATOM 0 H GLU A 17 -5.737 5.914 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.846 3.752 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.695 6.405 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.084 5.338 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.765 6.078 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.122 6.127 -2.762 1.00 0.00 H new ATOM 272 N PRO A 18 -7.160 2.415 -5.822 1.00 0.00 N ATOM 273 CA PRO A 18 -8.091 1.646 -4.936 1.00 0.00 C ATOM 274 C PRO A 18 -7.416 0.786 -3.807 1.00 0.00 C ATOM 275 O PRO A 18 -7.185 -0.386 -4.003 1.00 0.00 O ATOM 276 CB PRO A 18 -8.853 0.855 -5.988 1.00 0.00 C ATOM 277 CG PRO A 18 -7.702 0.383 -6.930 1.00 0.00 C ATOM 278 CD PRO A 18 -6.663 1.537 -6.919 1.00 0.00 C ATOM 0 HA PRO A 18 -8.713 2.273 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.396 0.015 -5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.584 1.471 -6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.260 -0.548 -6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.071 0.196 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.655 1.172 -6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.630 2.061 -7.874 1.00 0.00 H new ATOM 286 N ALA A 19 -7.112 1.377 -2.679 1.00 0.00 N ATOM 287 CA ALA A 19 -6.464 0.693 -1.490 1.00 0.00 C ATOM 288 C ALA A 19 -6.375 -0.873 -1.474 1.00 0.00 C ATOM 289 O ALA A 19 -5.341 -1.443 -1.197 1.00 0.00 O ATOM 290 CB ALA A 19 -7.233 1.229 -0.256 1.00 0.00 C ATOM 0 H ALA A 19 -7.295 2.367 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.403 0.940 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.824 0.781 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.128 2.313 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.288 0.970 -0.344 1.00 0.00 H new ATOM 296 N LYS A 20 -7.486 -1.484 -1.764 1.00 0.00 N ATOM 297 CA LYS A 20 -7.667 -2.977 -1.823 1.00 0.00 C ATOM 298 C LYS A 20 -7.829 -3.398 -3.316 1.00 0.00 C ATOM 299 O LYS A 20 -8.923 -3.397 -3.848 1.00 0.00 O ATOM 300 CB LYS A 20 -8.932 -3.289 -0.957 1.00 0.00 C ATOM 301 CG LYS A 20 -8.512 -3.812 0.430 1.00 0.00 C ATOM 302 CD LYS A 20 -8.284 -5.354 0.253 1.00 0.00 C ATOM 303 CE LYS A 20 -7.461 -5.974 1.362 1.00 0.00 C ATOM 304 NZ LYS A 20 -8.048 -5.586 2.679 1.00 0.00 N ATOM 0 H LYS A 20 -8.343 -0.975 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.818 -3.537 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.537 -2.389 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.553 -4.030 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.603 -3.319 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.284 -3.613 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.252 -5.853 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.787 -5.533 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.449 -7.059 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.427 -5.636 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.672 -6.208 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.798 -4.600 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.083 -5.680 2.639 1.00 0.00 H new ATOM 318 N LEU A 21 -6.747 -3.756 -3.953 1.00 0.00 N ATOM 319 CA LEU A 21 -6.804 -4.165 -5.399 1.00 0.00 C ATOM 320 C LEU A 21 -6.605 -5.652 -5.781 1.00 0.00 C ATOM 321 O LEU A 21 -5.489 -6.128 -5.899 1.00 0.00 O ATOM 322 CB LEU A 21 -5.743 -3.344 -6.171 1.00 0.00 C ATOM 323 CG LEU A 21 -6.034 -3.274 -7.732 1.00 0.00 C ATOM 324 CD1 LEU A 21 -4.701 -3.138 -8.452 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.762 -4.502 -8.360 1.00 0.00 C ATOM 0 H LEU A 21 -5.816 -3.785 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.844 -3.972 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.708 -2.332 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.760 -3.786 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.710 -2.428 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.872 -3.088 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.200 -2.228 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.075 -4.000 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.903 -4.334 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.160 -5.398 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.733 -4.633 -7.882 1.00 0.00 H new ATOM 337 N THR A 22 -7.668 -6.375 -5.976 1.00 0.00 N ATOM 338 CA THR A 22 -7.478 -7.818 -6.374 1.00 0.00 C ATOM 339 C THR A 22 -7.250 -7.745 -7.886 1.00 0.00 C ATOM 340 O THR A 22 -8.120 -7.417 -8.670 1.00 0.00 O ATOM 341 CB THR A 22 -8.726 -8.673 -6.124 1.00 0.00 C ATOM 342 OG1 THR A 22 -8.806 -8.850 -4.720 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.518 -10.115 -6.573 1.00 0.00 C ATOM 0 H THR A 22 -8.633 -6.056 -5.885 1.00 0.00 H new ATOM 0 HA THR A 22 -6.670 -8.274 -5.801 1.00 0.00 H new ATOM 0 HB THR A 22 -9.566 -8.191 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.593 -9.392 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.423 -10.690 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.296 -10.135 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.686 -10.552 -6.021 1.00 0.00 H new ATOM 351 N ILE A 23 -6.047 -8.055 -8.240 1.00 0.00 N ATOM 352 CA ILE A 23 -5.583 -8.045 -9.655 1.00 0.00 C ATOM 353 C ILE A 23 -5.731 -9.433 -10.264 1.00 0.00 C ATOM 354 O ILE A 23 -6.551 -10.227 -9.844 1.00 0.00 O ATOM 355 CB ILE A 23 -4.098 -7.600 -9.673 1.00 0.00 C ATOM 356 CG1 ILE A 23 -3.289 -8.530 -8.764 1.00 0.00 C ATOM 357 CG2 ILE A 23 -4.007 -6.188 -9.162 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.905 -8.717 -9.392 1.00 0.00 C ATOM 0 H ILE A 23 -5.324 -8.330 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.185 -7.354 -10.245 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.702 -7.648 -10.687 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.200 -8.104 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.792 -9.491 -8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.966 -5.864 -9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.596 -5.531 -9.802 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.392 -6.144 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.306 -9.377 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.012 -9.158 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.410 -7.749 -9.477 1.00 0.00 H new ATOM 370 N LYS A 24 -4.942 -9.705 -11.256 1.00 0.00 N ATOM 371 CA LYS A 24 -5.017 -11.046 -11.897 1.00 0.00 C ATOM 372 C LYS A 24 -3.833 -11.956 -11.448 1.00 0.00 C ATOM 373 O LYS A 24 -3.125 -11.614 -10.518 1.00 0.00 O ATOM 374 CB LYS A 24 -5.046 -10.792 -13.434 1.00 0.00 C ATOM 375 CG LYS A 24 -6.505 -10.699 -13.955 1.00 0.00 C ATOM 376 CD LYS A 24 -7.348 -9.748 -13.025 1.00 0.00 C ATOM 377 CE LYS A 24 -8.573 -9.235 -13.735 1.00 0.00 C ATOM 378 NZ LYS A 24 -7.996 -8.402 -14.802 1.00 0.00 N ATOM 0 H LYS A 24 -4.252 -9.066 -11.651 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.912 -11.590 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.515 -9.868 -13.664 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.523 -11.597 -13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.512 -10.321 -14.977 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.956 -11.691 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.645 -10.286 -12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.731 -8.908 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.179 -10.047 -14.137 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.215 -8.657 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.301 -7.416 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.958 -8.452 -14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.321 -8.749 -15.727 1.00 0.00 H new ATOM 392 N PRO A 25 -3.645 -13.092 -12.077 1.00 0.00 N ATOM 393 CA PRO A 25 -2.299 -13.736 -12.251 1.00 0.00 C ATOM 394 C PRO A 25 -1.066 -12.809 -12.454 1.00 0.00 C ATOM 395 O PRO A 25 -0.451 -12.792 -13.503 1.00 0.00 O ATOM 396 CB PRO A 25 -2.560 -14.732 -13.427 1.00 0.00 C ATOM 397 CG PRO A 25 -3.956 -14.327 -13.979 1.00 0.00 C ATOM 398 CD PRO A 25 -4.705 -13.916 -12.722 1.00 0.00 C ATOM 0 HA PRO A 25 -1.972 -14.205 -11.323 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.791 -14.650 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.555 -15.765 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.886 -13.508 -14.695 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.446 -15.156 -14.490 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.608 -13.346 -12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.004 -14.769 -12.113 1.00 0.00 H new ATOM 406 N GLY A 26 -0.725 -12.022 -11.470 1.00 0.00 N ATOM 407 CA GLY A 26 0.467 -11.103 -11.595 1.00 0.00 C ATOM 408 C GLY A 26 0.053 -9.697 -11.992 1.00 0.00 C ATOM 409 O GLY A 26 0.327 -8.742 -11.302 1.00 0.00 O ATOM 0 H GLY A 26 -1.216 -11.968 -10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.002 -11.070 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.158 -11.502 -12.337 1.00 0.00 H new ATOM 413 N ASP A 27 -0.607 -9.669 -13.112 1.00 0.00 N ATOM 414 CA ASP A 27 -1.136 -8.416 -13.736 1.00 0.00 C ATOM 415 C ASP A 27 -0.040 -7.307 -14.029 1.00 0.00 C ATOM 416 O ASP A 27 1.095 -7.373 -13.597 1.00 0.00 O ATOM 417 CB ASP A 27 -2.269 -7.997 -12.738 1.00 0.00 C ATOM 418 CG ASP A 27 -3.323 -7.154 -13.366 1.00 0.00 C ATOM 419 OD1 ASP A 27 -2.950 -6.173 -13.966 1.00 0.00 O ATOM 420 OD2 ASP A 27 -4.483 -7.495 -13.245 1.00 0.00 O ATOM 0 H ASP A 27 -0.814 -10.509 -13.653 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.510 -8.566 -14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.729 -8.894 -12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.826 -7.452 -11.904 1.00 0.00 H new ATOM 425 N THR A 28 -0.442 -6.314 -14.780 1.00 0.00 N ATOM 426 CA THR A 28 0.435 -5.156 -15.189 1.00 0.00 C ATOM 427 C THR A 28 0.063 -3.776 -14.668 1.00 0.00 C ATOM 428 O THR A 28 0.296 -2.746 -15.258 1.00 0.00 O ATOM 429 CB THR A 28 0.452 -5.085 -16.687 1.00 0.00 C ATOM 430 OG1 THR A 28 0.904 -6.376 -17.041 1.00 0.00 O ATOM 431 CG2 THR A 28 1.626 -4.307 -17.223 1.00 0.00 C ATOM 0 H THR A 28 -1.391 -6.250 -15.148 1.00 0.00 H new ATOM 0 HA THR A 28 1.400 -5.378 -14.733 1.00 0.00 H new ATOM 0 HB THR A 28 -0.505 -4.694 -17.032 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.685 -6.610 -16.497 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.585 -4.290 -18.312 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.590 -3.286 -16.843 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.554 -4.781 -16.903 1.00 0.00 H new ATOM 439 N VAL A 29 -0.530 -3.800 -13.539 1.00 0.00 N ATOM 440 CA VAL A 29 -0.988 -2.559 -12.816 1.00 0.00 C ATOM 441 C VAL A 29 0.057 -1.406 -12.727 1.00 0.00 C ATOM 442 O VAL A 29 1.259 -1.590 -12.668 1.00 0.00 O ATOM 443 CB VAL A 29 -1.441 -2.983 -11.409 1.00 0.00 C ATOM 444 CG1 VAL A 29 -2.657 -3.887 -11.530 1.00 0.00 C ATOM 445 CG2 VAL A 29 -0.348 -3.818 -10.739 1.00 0.00 C ATOM 0 H VAL A 29 -0.739 -4.664 -13.039 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.799 -2.130 -13.404 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.658 -2.085 -10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.984 -4.192 -10.536 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.463 -3.348 -12.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.397 -4.770 -12.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.676 -4.115 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.152 -4.708 -11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.564 -3.227 -10.660 1.00 0.00 H new ATOM 455 N GLU A 30 -0.490 -0.228 -12.694 1.00 0.00 N ATOM 456 CA GLU A 30 0.280 1.048 -12.627 1.00 0.00 C ATOM 457 C GLU A 30 0.202 1.898 -11.330 1.00 0.00 C ATOM 458 O GLU A 30 -0.821 2.009 -10.684 1.00 0.00 O ATOM 459 CB GLU A 30 -0.202 1.846 -13.859 1.00 0.00 C ATOM 460 CG GLU A 30 0.595 1.402 -15.132 1.00 0.00 C ATOM 461 CD GLU A 30 1.958 2.079 -15.262 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.120 3.136 -14.684 1.00 0.00 O ATOM 463 OE2 GLU A 30 2.744 1.479 -15.960 1.00 0.00 O ATOM 0 H GLU A 30 -1.500 -0.089 -12.712 1.00 0.00 H new ATOM 0 HA GLU A 30 1.340 0.796 -12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.269 1.683 -14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.064 2.914 -13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.736 0.321 -15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.001 1.624 -16.019 1.00 0.00 H new ATOM 470 N PHE A 31 1.316 2.471 -10.992 1.00 0.00 N ATOM 471 CA PHE A 31 1.480 3.350 -9.784 1.00 0.00 C ATOM 472 C PHE A 31 1.767 4.797 -10.263 1.00 0.00 C ATOM 473 O PHE A 31 2.883 5.079 -10.660 1.00 0.00 O ATOM 474 CB PHE A 31 2.663 2.798 -8.945 1.00 0.00 C ATOM 475 CG PHE A 31 2.301 1.640 -7.994 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.066 1.018 -7.970 1.00 0.00 C ATOM 477 CD2 PHE A 31 3.268 1.214 -7.107 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.811 -0.004 -7.076 1.00 0.00 C ATOM 479 CE2 PHE A 31 3.017 0.193 -6.212 1.00 0.00 C ATOM 480 CZ PHE A 31 1.784 -0.417 -6.196 1.00 0.00 C ATOM 0 H PHE A 31 2.175 2.364 -11.531 1.00 0.00 H new ATOM 0 HA PHE A 31 0.580 3.358 -9.170 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.445 2.459 -9.625 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.084 3.614 -8.357 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.294 1.334 -8.656 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.239 1.688 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.158 -0.481 -7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.787 -0.126 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.581 -1.215 -5.497 1.00 0.00 H new ATOM 490 N LEU A 32 0.806 5.680 -10.225 1.00 0.00 N ATOM 491 CA LEU A 32 1.058 7.077 -10.689 1.00 0.00 C ATOM 492 C LEU A 32 1.133 8.136 -9.566 1.00 0.00 C ATOM 493 O LEU A 32 0.233 8.268 -8.765 1.00 0.00 O ATOM 494 CB LEU A 32 -0.075 7.346 -11.722 1.00 0.00 C ATOM 495 CG LEU A 32 0.215 8.565 -12.624 1.00 0.00 C ATOM 496 CD1 LEU A 32 -0.728 8.478 -13.822 1.00 0.00 C ATOM 497 CD2 LEU A 32 -0.142 9.864 -11.927 1.00 0.00 C ATOM 0 H LEU A 32 -0.141 5.496 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 32 2.052 7.168 -11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.209 6.462 -12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.013 7.507 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 32 1.273 8.555 -12.887 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.553 9.325 -14.485 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.544 7.550 -14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.761 8.497 -13.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.074 10.703 -12.588 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.203 9.863 -11.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.446 9.961 -11.014 1.00 0.00 H new ATOM 509 N ASN A 33 2.206 8.881 -9.532 1.00 0.00 N ATOM 510 CA ASN A 33 2.409 9.959 -8.486 1.00 0.00 C ATOM 511 C ASN A 33 1.531 11.141 -8.992 1.00 0.00 C ATOM 512 O ASN A 33 2.009 12.134 -9.502 1.00 0.00 O ATOM 513 CB ASN A 33 3.953 10.222 -8.482 1.00 0.00 C ATOM 514 CG ASN A 33 4.432 11.207 -7.429 1.00 0.00 C ATOM 515 OD1 ASN A 33 4.155 11.127 -6.255 1.00 0.00 O ATOM 516 ND2 ASN A 33 5.187 12.185 -7.762 1.00 0.00 N ATOM 0 H ASN A 33 2.975 8.794 -10.196 1.00 0.00 H new ATOM 0 HA ASN A 33 2.117 9.740 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.468 9.273 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.246 10.592 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.517 12.839 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.459 12.310 -8.737 1.00 0.00 H new ATOM 523 N ASN A 34 0.239 11.001 -8.825 1.00 0.00 N ATOM 524 CA ASN A 34 -0.702 12.080 -9.307 1.00 0.00 C ATOM 525 C ASN A 34 -0.842 13.473 -8.623 1.00 0.00 C ATOM 526 O ASN A 34 -0.443 14.447 -9.226 1.00 0.00 O ATOM 527 CB ASN A 34 -2.115 11.380 -9.410 1.00 0.00 C ATOM 528 CG ASN A 34 -2.771 11.208 -8.061 1.00 0.00 C ATOM 529 OD1 ASN A 34 -2.142 10.893 -7.088 1.00 0.00 O ATOM 530 ND2 ASN A 34 -4.031 11.392 -7.893 1.00 0.00 N ATOM 0 H ASN A 34 -0.209 10.199 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.225 12.428 -10.223 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.765 11.972 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.001 10.404 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.446 11.269 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.617 11.661 -8.683 1.00 0.00 H new ATOM 537 N LYS A 35 -1.377 13.596 -7.434 1.00 0.00 N ATOM 538 CA LYS A 35 -1.494 14.984 -6.834 1.00 0.00 C ATOM 539 C LYS A 35 -1.161 15.283 -5.369 1.00 0.00 C ATOM 540 O LYS A 35 -1.491 16.344 -4.870 1.00 0.00 O ATOM 541 CB LYS A 35 -2.948 15.445 -7.156 1.00 0.00 C ATOM 542 CG LYS A 35 -3.013 16.127 -8.564 1.00 0.00 C ATOM 543 CD LYS A 35 -3.635 17.552 -8.427 1.00 0.00 C ATOM 544 CE LYS A 35 -2.813 18.430 -7.465 1.00 0.00 C ATOM 545 NZ LYS A 35 -3.773 19.343 -6.771 1.00 0.00 N ATOM 0 H LYS A 35 -1.730 12.831 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.670 15.532 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.621 14.588 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.291 16.143 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.013 16.195 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.611 15.522 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.681 18.027 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.659 17.471 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.278 17.813 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.064 19.003 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.264 19.908 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.214 19.978 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.510 18.779 -6.301 1.00 0.00 H new ATOM 559 N VAL A 36 -0.516 14.359 -4.742 1.00 0.00 N ATOM 560 CA VAL A 36 -0.135 14.548 -3.289 1.00 0.00 C ATOM 561 C VAL A 36 1.330 14.092 -2.984 1.00 0.00 C ATOM 562 O VAL A 36 1.552 13.197 -2.193 1.00 0.00 O ATOM 563 CB VAL A 36 -1.184 13.757 -2.422 1.00 0.00 C ATOM 564 CG1 VAL A 36 -1.178 14.343 -1.011 1.00 0.00 C ATOM 565 CG2 VAL A 36 -2.622 13.910 -2.958 1.00 0.00 C ATOM 0 H VAL A 36 -0.226 13.472 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.156 15.609 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.904 12.704 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.899 13.809 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.183 14.241 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.448 15.398 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.308 13.346 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.903 14.963 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.673 13.529 -3.978 1.00 0.00 H new ATOM 575 N PRO A 37 2.298 14.708 -3.627 1.00 0.00 N ATOM 576 CA PRO A 37 3.733 14.255 -3.559 1.00 0.00 C ATOM 577 C PRO A 37 4.413 14.349 -2.145 1.00 0.00 C ATOM 578 O PRO A 37 3.862 14.899 -1.211 1.00 0.00 O ATOM 579 CB PRO A 37 4.398 15.133 -4.640 1.00 0.00 C ATOM 580 CG PRO A 37 3.574 16.443 -4.519 1.00 0.00 C ATOM 581 CD PRO A 37 2.133 15.921 -4.482 1.00 0.00 C ATOM 0 HA PRO A 37 3.836 13.184 -3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.458 15.295 -4.443 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.322 14.690 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.828 17.001 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.743 17.109 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.443 16.643 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.755 15.678 -5.475 1.00 0.00 H new ATOM 589 N PRO A 38 5.599 13.796 -2.004 1.00 0.00 N ATOM 590 CA PRO A 38 6.280 12.882 -2.979 1.00 0.00 C ATOM 591 C PRO A 38 5.934 11.401 -2.659 1.00 0.00 C ATOM 592 O PRO A 38 6.150 10.896 -1.573 1.00 0.00 O ATOM 593 CB PRO A 38 7.728 13.272 -2.788 1.00 0.00 C ATOM 594 CG PRO A 38 7.825 13.452 -1.239 1.00 0.00 C ATOM 595 CD PRO A 38 6.450 14.046 -0.805 1.00 0.00 C ATOM 0 HA PRO A 38 5.981 12.973 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.408 12.501 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.975 14.191 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.016 12.500 -0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.644 14.120 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.056 13.551 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.522 15.108 -0.572 1.00 0.00 H new ATOM 603 N HIS A 39 5.404 10.696 -3.614 1.00 0.00 N ATOM 604 CA HIS A 39 5.040 9.263 -3.342 1.00 0.00 C ATOM 605 C HIS A 39 6.044 8.136 -3.652 1.00 0.00 C ATOM 606 O HIS A 39 5.996 7.518 -4.697 1.00 0.00 O ATOM 607 CB HIS A 39 3.755 8.948 -4.097 1.00 0.00 C ATOM 608 CG HIS A 39 2.543 9.709 -3.596 1.00 0.00 C ATOM 609 ND1 HIS A 39 1.962 9.452 -2.430 1.00 0.00 N ATOM 610 CD2 HIS A 39 1.872 10.714 -4.261 1.00 0.00 C ATOM 611 CE1 HIS A 39 0.947 10.294 -2.405 1.00 0.00 C ATOM 612 NE2 HIS A 39 0.906 11.015 -3.465 1.00 0.00 N ATOM 0 H HIS A 39 5.206 11.032 -4.556 1.00 0.00 H new ATOM 0 HA HIS A 39 4.978 9.244 -2.254 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.902 9.174 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.556 7.879 -4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.103 11.147 -5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.239 10.367 -1.593 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.203 11.730 -3.652 1.00 0.00 H new ATOM 620 N ASN A 40 6.943 7.874 -2.748 1.00 0.00 N ATOM 621 CA ASN A 40 7.922 6.771 -3.012 1.00 0.00 C ATOM 622 C ASN A 40 7.344 5.535 -2.272 1.00 0.00 C ATOM 623 O ASN A 40 7.039 5.656 -1.102 1.00 0.00 O ATOM 624 CB ASN A 40 9.314 7.183 -2.445 1.00 0.00 C ATOM 625 CG ASN A 40 10.097 5.910 -2.231 1.00 0.00 C ATOM 626 OD1 ASN A 40 10.127 5.039 -3.066 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.752 5.700 -1.155 1.00 0.00 N ATOM 0 H ASN A 40 7.047 8.359 -1.857 1.00 0.00 H new ATOM 0 HA ASN A 40 8.060 6.558 -4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.833 7.843 -3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.203 7.730 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.267 4.828 -1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.760 6.404 -0.417 1.00 0.00 H new ATOM 634 N VAL A 41 7.210 4.417 -2.932 1.00 0.00 N ATOM 635 CA VAL A 41 6.653 3.197 -2.245 1.00 0.00 C ATOM 636 C VAL A 41 7.773 2.207 -1.921 1.00 0.00 C ATOM 637 O VAL A 41 8.626 1.882 -2.726 1.00 0.00 O ATOM 638 CB VAL A 41 5.596 2.503 -3.149 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.408 3.452 -3.354 1.00 0.00 C ATOM 640 CG2 VAL A 41 6.161 2.172 -4.546 1.00 0.00 C ATOM 0 H VAL A 41 7.458 4.287 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 41 6.179 3.516 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 41 5.301 1.579 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.663 2.971 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.963 3.692 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.753 4.369 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.390 1.688 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.478 3.092 -5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.015 1.502 -4.444 1.00 0.00 H new ATOM 650 N VAL A 42 7.737 1.721 -0.722 1.00 0.00 N ATOM 651 CA VAL A 42 8.776 0.756 -0.261 1.00 0.00 C ATOM 652 C VAL A 42 8.238 -0.674 0.031 1.00 0.00 C ATOM 653 O VAL A 42 8.111 -1.087 1.159 1.00 0.00 O ATOM 654 CB VAL A 42 9.432 1.435 0.977 1.00 0.00 C ATOM 655 CG1 VAL A 42 10.702 0.684 1.383 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.864 2.887 0.636 1.00 0.00 C ATOM 0 H VAL A 42 7.026 1.950 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 42 9.503 0.564 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 42 8.696 1.426 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.150 1.170 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.451 -0.347 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.411 0.693 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.320 3.346 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.585 2.870 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.990 3.466 0.337 1.00 0.00 H new ATOM 666 N PHE A 43 7.942 -1.400 -1.019 1.00 0.00 N ATOM 667 CA PHE A 43 7.394 -2.825 -0.915 1.00 0.00 C ATOM 668 C PHE A 43 8.043 -3.726 0.180 1.00 0.00 C ATOM 669 O PHE A 43 9.256 -3.774 0.278 1.00 0.00 O ATOM 670 CB PHE A 43 7.544 -3.485 -2.307 1.00 0.00 C ATOM 671 CG PHE A 43 6.194 -3.549 -3.015 1.00 0.00 C ATOM 672 CD1 PHE A 43 5.214 -4.391 -2.533 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.935 -2.797 -4.142 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.997 -4.482 -3.168 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.716 -2.886 -4.780 1.00 0.00 C ATOM 676 CZ PHE A 43 3.746 -3.730 -4.292 1.00 0.00 C ATOM 0 H PHE A 43 8.054 -1.071 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 43 6.355 -2.738 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.252 -2.917 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.952 -4.490 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.403 -4.984 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.694 -2.133 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.237 -5.146 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.523 -2.294 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.790 -3.802 -4.790 1.00 0.00 H new ATOM 686 N ASP A 44 7.217 -4.409 0.942 1.00 0.00 N ATOM 687 CA ASP A 44 7.762 -5.304 2.037 1.00 0.00 C ATOM 688 C ASP A 44 7.755 -6.886 1.908 1.00 0.00 C ATOM 689 O ASP A 44 7.442 -7.503 0.904 1.00 0.00 O ATOM 690 CB ASP A 44 6.995 -4.802 3.319 1.00 0.00 C ATOM 691 CG ASP A 44 5.719 -5.568 3.571 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.854 -6.616 4.165 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.683 -5.087 3.170 1.00 0.00 O ATOM 0 H ASP A 44 6.200 -4.391 0.861 1.00 0.00 H new ATOM 0 HA ASP A 44 8.846 -5.192 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.647 -4.895 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.762 -3.743 3.207 1.00 0.00 H new ATOM 698 N ALA A 45 8.144 -7.465 3.013 1.00 0.00 N ATOM 699 CA ALA A 45 8.258 -8.938 3.237 1.00 0.00 C ATOM 700 C ALA A 45 7.233 -9.527 4.266 1.00 0.00 C ATOM 701 O ALA A 45 6.719 -10.629 4.132 1.00 0.00 O ATOM 702 CB ALA A 45 9.718 -9.177 3.680 1.00 0.00 C ATOM 0 H ALA A 45 8.409 -6.925 3.837 1.00 0.00 H new ATOM 0 HA ALA A 45 8.009 -9.466 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.873 -10.240 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.396 -8.840 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.917 -8.619 4.595 1.00 0.00 H new ATOM 708 N ALA A 46 6.951 -8.774 5.289 1.00 0.00 N ATOM 709 CA ALA A 46 5.990 -9.199 6.360 1.00 0.00 C ATOM 710 C ALA A 46 4.661 -9.664 5.703 1.00 0.00 C ATOM 711 O ALA A 46 4.093 -10.697 6.026 1.00 0.00 O ATOM 712 CB ALA A 46 5.823 -7.971 7.286 1.00 0.00 C ATOM 0 H ALA A 46 7.357 -7.850 5.438 1.00 0.00 H new ATOM 0 HA ALA A 46 6.342 -10.047 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.131 -8.215 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.791 -7.699 7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.429 -7.133 6.711 1.00 0.00 H new ATOM 718 N LEU A 47 4.214 -8.883 4.770 1.00 0.00 N ATOM 719 CA LEU A 47 2.948 -9.182 4.034 1.00 0.00 C ATOM 720 C LEU A 47 3.175 -9.796 2.625 1.00 0.00 C ATOM 721 O LEU A 47 2.406 -9.602 1.706 1.00 0.00 O ATOM 722 CB LEU A 47 2.163 -7.842 3.967 1.00 0.00 C ATOM 723 CG LEU A 47 1.855 -7.341 5.404 1.00 0.00 C ATOM 724 CD1 LEU A 47 2.682 -6.083 5.671 1.00 0.00 C ATOM 725 CD2 LEU A 47 0.378 -6.976 5.552 1.00 0.00 C ATOM 0 H LEU A 47 4.680 -8.026 4.474 1.00 0.00 H new ATOM 0 HA LEU A 47 2.385 -9.951 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.746 -7.095 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.234 -7.981 3.414 1.00 0.00 H new ATOM 0 HG LEU A 47 2.099 -8.136 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.476 -5.719 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.742 -6.319 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.418 -5.313 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.189 -6.628 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.126 -6.186 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.236 -7.854 5.349 1.00 0.00 H new ATOM 737 N ASN A 48 4.231 -10.553 2.500 1.00 0.00 N ATOM 738 CA ASN A 48 4.571 -11.225 1.201 1.00 0.00 C ATOM 739 C ASN A 48 4.202 -12.735 1.359 1.00 0.00 C ATOM 740 O ASN A 48 4.294 -13.249 2.463 1.00 0.00 O ATOM 741 CB ASN A 48 6.077 -10.901 1.026 1.00 0.00 C ATOM 742 CG ASN A 48 6.899 -11.831 0.174 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.489 -12.838 -0.350 1.00 0.00 O ATOM 744 ND2 ASN A 48 8.128 -11.509 0.023 1.00 0.00 N ATOM 0 H ASN A 48 4.889 -10.741 3.256 1.00 0.00 H new ATOM 0 HA ASN A 48 4.038 -10.900 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.158 -9.900 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.530 -10.866 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.745 -12.100 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.490 -10.661 0.459 1.00 0.00 H new ATOM 751 N PRO A 49 3.789 -13.406 0.312 1.00 0.00 N ATOM 752 CA PRO A 49 3.431 -14.859 0.387 1.00 0.00 C ATOM 753 C PRO A 49 4.628 -15.715 0.851 1.00 0.00 C ATOM 754 O PRO A 49 4.538 -16.532 1.745 1.00 0.00 O ATOM 755 CB PRO A 49 2.925 -15.160 -1.043 1.00 0.00 C ATOM 756 CG PRO A 49 3.721 -14.145 -1.907 1.00 0.00 C ATOM 757 CD PRO A 49 3.629 -12.862 -1.068 1.00 0.00 C ATOM 0 HA PRO A 49 2.672 -15.102 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.129 -16.190 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.849 -15.011 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.754 -14.460 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.280 -14.018 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.412 -12.147 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.675 -12.351 -1.201 1.00 0.00 H new ATOM 765 N ALA A 50 5.736 -15.469 0.221 1.00 0.00 N ATOM 766 CA ALA A 50 7.003 -16.196 0.515 1.00 0.00 C ATOM 767 C ALA A 50 8.061 -15.293 1.206 1.00 0.00 C ATOM 768 O ALA A 50 9.147 -15.137 0.691 1.00 0.00 O ATOM 769 CB ALA A 50 7.480 -16.739 -0.849 1.00 0.00 C ATOM 0 H ALA A 50 5.822 -14.767 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 50 6.846 -17.003 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.412 -17.289 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.722 -17.405 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.644 -15.907 -1.534 1.00 0.00 H new ATOM 775 N LYS A 51 7.680 -14.735 2.329 1.00 0.00 N ATOM 776 CA LYS A 51 8.539 -13.821 3.188 1.00 0.00 C ATOM 777 C LYS A 51 10.003 -13.541 2.726 1.00 0.00 C ATOM 778 O LYS A 51 10.976 -13.788 3.411 1.00 0.00 O ATOM 779 CB LYS A 51 8.509 -14.441 4.617 1.00 0.00 C ATOM 780 CG LYS A 51 7.461 -13.810 5.550 1.00 0.00 C ATOM 781 CD LYS A 51 6.061 -13.889 4.914 1.00 0.00 C ATOM 782 CE LYS A 51 5.033 -13.508 5.946 1.00 0.00 C ATOM 783 NZ LYS A 51 3.773 -13.261 5.204 1.00 0.00 N ATOM 0 H LYS A 51 6.748 -14.880 2.718 1.00 0.00 H new ATOM 0 HA LYS A 51 8.108 -12.822 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.311 -15.510 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.495 -14.334 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.461 -14.326 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.720 -12.770 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.999 -13.220 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.870 -14.897 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.903 -14.304 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.343 -12.618 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.500 -12.263 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.915 -13.479 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.020 -13.867 5.587 1.00 0.00 H new ATOM 797 N SER A 52 10.095 -13.013 1.549 1.00 0.00 N ATOM 798 CA SER A 52 11.419 -12.666 0.914 1.00 0.00 C ATOM 799 C SER A 52 11.712 -11.163 0.797 1.00 0.00 C ATOM 800 O SER A 52 10.854 -10.319 0.975 1.00 0.00 O ATOM 801 CB SER A 52 11.464 -13.318 -0.501 1.00 0.00 C ATOM 802 OG SER A 52 10.127 -13.199 -0.994 1.00 0.00 O ATOM 0 H SER A 52 9.287 -12.793 0.967 1.00 0.00 H new ATOM 0 HA SER A 52 12.193 -13.055 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.174 -12.806 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.776 -14.361 -0.447 1.00 0.00 H new ATOM 0 HG SER A 52 9.577 -13.923 -0.627 1.00 0.00 H new ATOM 808 N ALA A 53 12.941 -10.877 0.485 1.00 0.00 N ATOM 809 CA ALA A 53 13.452 -9.470 0.317 1.00 0.00 C ATOM 810 C ALA A 53 13.637 -9.302 -1.212 1.00 0.00 C ATOM 811 O ALA A 53 13.263 -8.323 -1.827 1.00 0.00 O ATOM 812 CB ALA A 53 14.773 -9.391 1.116 1.00 0.00 C ATOM 0 H ALA A 53 13.654 -11.590 0.330 1.00 0.00 H new ATOM 0 HA ALA A 53 12.802 -8.676 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.191 -8.388 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.578 -9.614 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.483 -10.115 0.717 1.00 0.00 H new ATOM 818 N ASP A 54 14.247 -10.332 -1.701 1.00 0.00 N ATOM 819 CA ASP A 54 14.621 -10.619 -3.115 1.00 0.00 C ATOM 820 C ASP A 54 13.697 -9.825 -4.096 1.00 0.00 C ATOM 821 O ASP A 54 14.092 -8.999 -4.899 1.00 0.00 O ATOM 822 CB ASP A 54 14.505 -12.194 -3.190 1.00 0.00 C ATOM 823 CG ASP A 54 15.100 -12.911 -1.975 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.442 -12.860 -0.947 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.165 -13.451 -2.142 1.00 0.00 O ATOM 0 H ASP A 54 14.541 -11.091 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 54 15.618 -10.296 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.454 -12.468 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.009 -12.545 -4.091 1.00 0.00 H new ATOM 830 N LEU A 55 12.435 -10.120 -3.963 1.00 0.00 N ATOM 831 CA LEU A 55 11.372 -9.470 -4.801 1.00 0.00 C ATOM 832 C LEU A 55 11.025 -8.104 -4.144 1.00 0.00 C ATOM 833 O LEU A 55 11.158 -7.062 -4.759 1.00 0.00 O ATOM 834 CB LEU A 55 10.179 -10.479 -4.829 1.00 0.00 C ATOM 835 CG LEU A 55 9.036 -10.144 -5.830 1.00 0.00 C ATOM 836 CD1 LEU A 55 8.369 -8.804 -5.536 1.00 0.00 C ATOM 837 CD2 LEU A 55 9.600 -10.074 -7.242 1.00 0.00 C ATOM 0 H LEU A 55 12.080 -10.802 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 55 11.669 -9.257 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.569 -11.468 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.754 -10.539 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 55 8.292 -10.934 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.580 -8.623 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.940 -8.823 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.110 -8.007 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.799 -9.839 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.364 -9.298 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.042 -11.035 -7.505 1.00 0.00 H new ATOM 849 N ALA A 56 10.585 -8.148 -2.912 1.00 0.00 N ATOM 850 CA ALA A 56 10.212 -6.910 -2.134 1.00 0.00 C ATOM 851 C ALA A 56 11.028 -5.644 -2.543 1.00 0.00 C ATOM 852 O ALA A 56 10.478 -4.614 -2.882 1.00 0.00 O ATOM 853 CB ALA A 56 10.407 -7.268 -0.644 1.00 0.00 C ATOM 0 H ALA A 56 10.463 -9.016 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 56 9.180 -6.633 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.151 -6.407 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.760 -8.106 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.447 -7.544 -0.469 1.00 0.00 H new ATOM 859 N LYS A 57 12.332 -5.736 -2.528 1.00 0.00 N ATOM 860 CA LYS A 57 13.157 -4.539 -2.919 1.00 0.00 C ATOM 861 C LYS A 57 13.082 -4.304 -4.429 1.00 0.00 C ATOM 862 O LYS A 57 12.864 -3.175 -4.824 1.00 0.00 O ATOM 863 CB LYS A 57 14.650 -4.751 -2.486 1.00 0.00 C ATOM 864 CG LYS A 57 15.658 -3.741 -3.209 1.00 0.00 C ATOM 865 CD LYS A 57 15.804 -2.304 -2.552 1.00 0.00 C ATOM 866 CE LYS A 57 14.552 -1.414 -2.497 1.00 0.00 C ATOM 867 NZ LYS A 57 14.109 -1.031 -3.876 1.00 0.00 N ATOM 0 H LYS A 57 12.860 -6.569 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 57 12.757 -3.662 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.731 -4.626 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.946 -5.775 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.644 -4.205 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.333 -3.614 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.167 -2.436 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 57 16.577 -1.763 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.747 -1.942 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.764 -0.516 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.255 -0.011 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.664 -1.560 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.100 -1.255 -3.991 1.00 0.00 H new ATOM 881 N SER A 58 13.273 -5.336 -5.203 1.00 0.00 N ATOM 882 CA SER A 58 13.211 -5.229 -6.715 1.00 0.00 C ATOM 883 C SER A 58 11.966 -4.437 -7.135 1.00 0.00 C ATOM 884 O SER A 58 11.942 -3.735 -8.122 1.00 0.00 O ATOM 885 CB SER A 58 13.159 -6.631 -7.311 1.00 0.00 C ATOM 886 OG SER A 58 14.442 -7.134 -6.946 1.00 0.00 O ATOM 0 H SER A 58 13.474 -6.274 -4.857 1.00 0.00 H new ATOM 0 HA SER A 58 14.096 -4.708 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.349 -7.227 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.016 -6.614 -8.391 1.00 0.00 H new ATOM 0 HG SER A 58 14.343 -7.791 -6.226 1.00 0.00 H new ATOM 892 N LEU A 59 10.958 -4.617 -6.329 1.00 0.00 N ATOM 893 CA LEU A 59 9.632 -3.947 -6.515 1.00 0.00 C ATOM 894 C LEU A 59 9.656 -2.546 -5.809 1.00 0.00 C ATOM 895 O LEU A 59 9.370 -1.543 -6.427 1.00 0.00 O ATOM 896 CB LEU A 59 8.632 -4.953 -5.925 1.00 0.00 C ATOM 897 CG LEU A 59 7.209 -4.690 -6.395 1.00 0.00 C ATOM 898 CD1 LEU A 59 7.080 -5.016 -7.882 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.317 -5.669 -5.652 1.00 0.00 C ATOM 0 H LEU A 59 10.998 -5.227 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 59 9.363 -3.722 -7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.926 -5.964 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.669 -4.904 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 59 6.943 -3.648 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.058 -4.825 -8.209 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.767 -4.391 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.323 -6.066 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.281 -5.520 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.621 -6.689 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.408 -5.502 -4.579 1.00 0.00 H new ATOM 911 N SER A 60 9.969 -2.456 -4.535 1.00 0.00 N ATOM 912 CA SER A 60 10.015 -1.098 -3.854 1.00 0.00 C ATOM 913 C SER A 60 10.950 -0.101 -4.605 1.00 0.00 C ATOM 914 O SER A 60 11.934 -0.500 -5.199 1.00 0.00 O ATOM 915 CB SER A 60 10.568 -1.265 -2.461 1.00 0.00 C ATOM 916 OG SER A 60 11.833 -1.805 -2.793 1.00 0.00 O ATOM 0 H SER A 60 10.194 -3.249 -3.935 1.00 0.00 H new ATOM 0 HA SER A 60 8.999 -0.702 -3.848 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.641 -0.321 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.970 -1.939 -1.848 1.00 0.00 H new ATOM 0 HG SER A 60 11.740 -2.409 -3.559 1.00 0.00 H new ATOM 922 N HIS A 61 10.667 1.164 -4.531 1.00 0.00 N ATOM 923 CA HIS A 61 11.533 2.164 -5.241 1.00 0.00 C ATOM 924 C HIS A 61 12.659 2.703 -4.287 1.00 0.00 C ATOM 925 O HIS A 61 13.647 2.011 -4.076 1.00 0.00 O ATOM 926 CB HIS A 61 10.555 3.286 -5.743 1.00 0.00 C ATOM 927 CG HIS A 61 9.390 2.750 -6.566 1.00 0.00 C ATOM 928 ND1 HIS A 61 8.375 3.475 -6.880 1.00 0.00 N ATOM 929 CD2 HIS A 61 9.109 1.521 -7.126 1.00 0.00 C ATOM 930 CE1 HIS A 61 7.526 2.777 -7.572 1.00 0.00 C ATOM 931 NE2 HIS A 61 7.948 1.553 -7.748 1.00 0.00 N ATOM 0 H HIS A 61 9.880 1.557 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 61 12.069 1.730 -6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.163 3.828 -4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.115 4.003 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.751 0.654 -7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.591 3.159 -7.953 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.485 0.796 -8.251 1.00 0.00 H new ATOM 939 N LYS A 62 12.411 3.882 -3.764 1.00 0.00 N ATOM 940 CA LYS A 62 13.229 4.732 -2.815 1.00 0.00 C ATOM 941 C LYS A 62 13.235 6.241 -3.205 1.00 0.00 C ATOM 942 O LYS A 62 12.647 6.670 -4.176 1.00 0.00 O ATOM 943 CB LYS A 62 14.738 4.266 -2.749 1.00 0.00 C ATOM 944 CG LYS A 62 15.468 4.386 -4.117 1.00 0.00 C ATOM 945 CD LYS A 62 16.839 3.653 -3.971 1.00 0.00 C ATOM 946 CE LYS A 62 17.655 3.703 -5.261 1.00 0.00 C ATOM 947 NZ LYS A 62 18.148 5.102 -5.417 1.00 0.00 N ATOM 0 H LYS A 62 11.539 4.357 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 62 12.744 4.602 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.266 4.865 -2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.779 3.231 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.873 3.936 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.617 5.432 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.410 4.110 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.666 2.614 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.490 3.004 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.043 3.413 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.711 5.177 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.338 5.752 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.740 5.355 -4.600 1.00 0.00 H new ATOM 961 N GLN A 63 13.937 6.947 -2.375 1.00 0.00 N ATOM 962 CA GLN A 63 14.193 8.423 -2.412 1.00 0.00 C ATOM 963 C GLN A 63 13.138 9.521 -2.832 1.00 0.00 C ATOM 964 O GLN A 63 13.157 10.038 -3.931 1.00 0.00 O ATOM 965 CB GLN A 63 15.504 8.579 -3.277 1.00 0.00 C ATOM 966 CG GLN A 63 15.236 8.250 -4.801 1.00 0.00 C ATOM 967 CD GLN A 63 16.508 8.250 -5.614 1.00 0.00 C ATOM 968 OE1 GLN A 63 17.307 7.339 -5.560 1.00 0.00 O ATOM 969 NE2 GLN A 63 16.773 9.234 -6.390 1.00 0.00 N ATOM 0 H GLN A 63 14.398 6.508 -1.578 1.00 0.00 H new ATOM 0 HA GLN A 63 14.204 8.679 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.883 9.597 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.277 7.915 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.755 7.275 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.543 8.983 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.123 10.017 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.634 9.234 -6.938 1.00 0.00 H new ATOM 978 N LEU A 64 12.250 9.855 -1.937 1.00 0.00 N ATOM 979 CA LEU A 64 11.175 10.902 -2.168 1.00 0.00 C ATOM 980 C LEU A 64 10.725 11.275 -3.614 1.00 0.00 C ATOM 981 O LEU A 64 11.200 12.216 -4.216 1.00 0.00 O ATOM 982 CB LEU A 64 11.638 12.213 -1.437 1.00 0.00 C ATOM 983 CG LEU A 64 11.589 12.122 0.107 1.00 0.00 C ATOM 984 CD1 LEU A 64 12.799 11.370 0.659 1.00 0.00 C ATOM 985 CD2 LEU A 64 11.642 13.542 0.667 1.00 0.00 C ATOM 0 H LEU A 64 12.213 9.433 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 64 10.278 10.420 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.657 12.448 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.008 13.040 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 64 10.679 11.596 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.734 11.324 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.815 10.358 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.713 11.890 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.609 13.505 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.566 14.025 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.789 14.111 0.297 1.00 0.00 H new ATOM 997 N LEU A 65 9.800 10.529 -4.149 1.00 0.00 N ATOM 998 CA LEU A 65 9.263 10.781 -5.546 1.00 0.00 C ATOM 999 C LEU A 65 8.710 12.252 -5.770 1.00 0.00 C ATOM 1000 O LEU A 65 7.516 12.491 -5.796 1.00 0.00 O ATOM 1001 CB LEU A 65 8.154 9.706 -5.788 1.00 0.00 C ATOM 1002 CG LEU A 65 8.021 9.274 -7.270 1.00 0.00 C ATOM 1003 CD1 LEU A 65 8.036 10.472 -8.224 1.00 0.00 C ATOM 1004 CD2 LEU A 65 9.196 8.367 -7.628 1.00 0.00 C ATOM 0 H LEU A 65 9.374 9.732 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 65 10.076 10.697 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.373 8.828 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.197 10.100 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 65 7.067 8.759 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.940 10.120 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.204 11.135 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.975 11.014 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.112 8.057 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.131 8.909 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.185 7.487 -6.985 1.00 0.00 H new ATOM 1016 N MET A 66 9.603 13.197 -5.910 1.00 0.00 N ATOM 1017 CA MET A 66 9.262 14.657 -6.133 1.00 0.00 C ATOM 1018 C MET A 66 8.354 15.008 -7.348 1.00 0.00 C ATOM 1019 O MET A 66 7.265 15.526 -7.206 1.00 0.00 O ATOM 1020 CB MET A 66 10.605 15.440 -6.261 1.00 0.00 C ATOM 1021 CG MET A 66 11.450 15.369 -4.976 1.00 0.00 C ATOM 1022 SD MET A 66 13.034 16.244 -5.034 1.00 0.00 S ATOM 1023 CE MET A 66 12.469 17.848 -4.416 1.00 0.00 C ATOM 0 H MET A 66 10.607 13.017 -5.879 1.00 0.00 H new ATOM 0 HA MET A 66 8.657 14.941 -5.272 1.00 0.00 H new ATOM 0 HB2 MET A 66 11.180 15.036 -7.094 1.00 0.00 H new ATOM 0 HB3 MET A 66 10.393 16.483 -6.496 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.862 15.773 -4.152 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.642 14.321 -4.746 1.00 0.00 H new ATOM 0 HE1 MET A 66 13.311 18.540 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.704 18.246 -5.083 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.052 17.726 -3.416 1.00 0.00 H new ATOM 1033 N SER A 67 8.849 14.720 -8.516 1.00 0.00 N ATOM 1034 CA SER A 67 8.113 14.991 -9.811 1.00 0.00 C ATOM 1035 C SER A 67 6.689 14.380 -9.858 1.00 0.00 C ATOM 1036 O SER A 67 6.580 13.172 -9.909 1.00 0.00 O ATOM 1037 CB SER A 67 8.941 14.413 -10.974 1.00 0.00 C ATOM 1038 OG SER A 67 10.238 14.977 -10.766 1.00 0.00 O ATOM 0 H SER A 67 9.766 14.292 -8.645 1.00 0.00 H new ATOM 0 HA SER A 67 7.993 16.071 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.967 13.324 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.529 14.698 -11.942 1.00 0.00 H new ATOM 0 HG SER A 67 10.848 14.662 -11.466 1.00 0.00 H new ATOM 1044 N PRO A 68 5.626 15.156 -9.841 1.00 0.00 N ATOM 1045 CA PRO A 68 4.257 14.594 -10.087 1.00 0.00 C ATOM 1046 C PRO A 68 4.024 14.098 -11.545 1.00 0.00 C ATOM 1047 O PRO A 68 4.829 14.282 -12.443 1.00 0.00 O ATOM 1048 CB PRO A 68 3.339 15.750 -9.665 1.00 0.00 C ATOM 1049 CG PRO A 68 4.175 16.983 -10.104 1.00 0.00 C ATOM 1050 CD PRO A 68 5.588 16.629 -9.587 1.00 0.00 C ATOM 0 HA PRO A 68 4.070 13.679 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.372 15.710 -10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.143 15.748 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.161 17.119 -11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.800 17.906 -9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.370 17.161 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.712 16.868 -8.531 1.00 0.00 H new ATOM 1058 N GLY A 69 2.917 13.440 -11.754 1.00 0.00 N ATOM 1059 CA GLY A 69 2.558 12.906 -13.128 1.00 0.00 C ATOM 1060 C GLY A 69 3.118 11.507 -13.335 1.00 0.00 C ATOM 1061 O GLY A 69 2.434 10.578 -13.697 1.00 0.00 O ATOM 0 H GLY A 69 2.227 13.240 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.474 12.888 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.949 13.575 -13.895 1.00 0.00 H new ATOM 1065 N GLN A 70 4.393 11.440 -13.101 1.00 0.00 N ATOM 1066 CA GLN A 70 5.203 10.178 -13.222 1.00 0.00 C ATOM 1067 C GLN A 70 4.428 8.855 -12.913 1.00 0.00 C ATOM 1068 O GLN A 70 4.072 8.589 -11.778 1.00 0.00 O ATOM 1069 CB GLN A 70 6.424 10.322 -12.273 1.00 0.00 C ATOM 1070 CG GLN A 70 7.097 11.733 -12.415 1.00 0.00 C ATOM 1071 CD GLN A 70 7.378 12.162 -13.843 1.00 0.00 C ATOM 1072 OE1 GLN A 70 8.126 11.568 -14.574 1.00 0.00 O ATOM 1073 NE2 GLN A 70 6.797 13.209 -14.308 1.00 0.00 N ATOM 0 H GLN A 70 4.945 12.248 -12.814 1.00 0.00 H new ATOM 0 HA GLN A 70 5.494 10.077 -14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.105 10.172 -11.242 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.154 9.545 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.452 12.477 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.035 11.730 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.155 13.740 -13.719 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.977 13.509 -15.266 1.00 0.00 H new ATOM 1082 N SER A 71 4.185 8.080 -13.934 1.00 0.00 N ATOM 1083 CA SER A 71 3.448 6.771 -13.762 1.00 0.00 C ATOM 1084 C SER A 71 4.365 5.571 -14.028 1.00 0.00 C ATOM 1085 O SER A 71 4.967 5.488 -15.081 1.00 0.00 O ATOM 1086 CB SER A 71 2.278 6.694 -14.740 1.00 0.00 C ATOM 1087 OG SER A 71 1.392 5.805 -14.068 1.00 0.00 O ATOM 0 H SER A 71 4.463 8.289 -14.893 1.00 0.00 H new ATOM 0 HA SER A 71 3.094 6.735 -12.732 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.824 7.670 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.583 6.309 -15.713 1.00 0.00 H new ATOM 0 HG SER A 71 1.636 4.879 -14.277 1.00 0.00 H new ATOM 1093 N THR A 72 4.476 4.697 -13.069 1.00 0.00 N ATOM 1094 CA THR A 72 5.354 3.475 -13.239 1.00 0.00 C ATOM 1095 C THR A 72 4.610 2.137 -13.162 1.00 0.00 C ATOM 1096 O THR A 72 3.700 1.979 -12.368 1.00 0.00 O ATOM 1097 CB THR A 72 6.453 3.499 -12.156 1.00 0.00 C ATOM 1098 OG1 THR A 72 7.174 2.290 -12.322 1.00 0.00 O ATOM 1099 CG2 THR A 72 5.926 3.331 -10.746 1.00 0.00 C ATOM 0 H THR A 72 4.002 4.764 -12.168 1.00 0.00 H new ATOM 0 HA THR A 72 5.766 3.534 -14.247 1.00 0.00 H new ATOM 0 HB THR A 72 6.985 4.444 -12.264 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.894 2.245 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.757 3.358 -10.041 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.231 4.139 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.410 2.374 -10.662 1.00 0.00 H new ATOM 1107 N SER A 73 5.018 1.189 -13.953 1.00 0.00 N ATOM 1108 CA SER A 73 4.320 -0.143 -13.922 1.00 0.00 C ATOM 1109 C SER A 73 4.898 -1.089 -12.864 1.00 0.00 C ATOM 1110 O SER A 73 6.095 -1.254 -12.729 1.00 0.00 O ATOM 1111 CB SER A 73 4.434 -0.851 -15.311 1.00 0.00 C ATOM 1112 OG SER A 73 5.678 -1.567 -15.329 1.00 0.00 O ATOM 0 H SER A 73 5.791 1.266 -14.614 1.00 0.00 H new ATOM 0 HA SER A 73 3.280 0.067 -13.673 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.597 -1.532 -15.464 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.401 -0.119 -16.118 1.00 0.00 H new ATOM 0 HG SER A 73 5.779 -2.025 -16.189 1.00 0.00 H new ATOM 1118 N THR A 74 4.037 -1.708 -12.122 1.00 0.00 N ATOM 1119 CA THR A 74 4.472 -2.676 -11.052 1.00 0.00 C ATOM 1120 C THR A 74 3.820 -3.976 -11.499 1.00 0.00 C ATOM 1121 O THR A 74 2.954 -4.552 -10.881 1.00 0.00 O ATOM 1122 CB THR A 74 3.970 -2.204 -9.640 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.239 -3.314 -8.806 1.00 0.00 O ATOM 1124 CG2 THR A 74 2.489 -2.093 -9.432 1.00 0.00 C ATOM 0 H THR A 74 3.027 -1.592 -12.202 1.00 0.00 H new ATOM 0 HA THR A 74 5.553 -2.768 -10.942 1.00 0.00 H new ATOM 0 HB THR A 74 4.430 -1.230 -9.476 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.573 -4.014 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.289 -1.758 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.075 -1.374 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.025 -3.067 -9.591 1.00 0.00 H new ATOM 1132 N THR A 75 4.290 -4.401 -12.638 1.00 0.00 N ATOM 1133 CA THR A 75 3.774 -5.672 -13.263 1.00 0.00 C ATOM 1134 C THR A 75 4.500 -6.913 -12.731 1.00 0.00 C ATOM 1135 O THR A 75 5.695 -6.905 -12.498 1.00 0.00 O ATOM 1136 CB THR A 75 3.951 -5.546 -14.794 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.245 -6.636 -15.362 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.358 -5.815 -15.294 1.00 0.00 C ATOM 0 H THR A 75 5.015 -3.925 -13.174 1.00 0.00 H new ATOM 0 HA THR A 75 2.723 -5.802 -13.005 1.00 0.00 H new ATOM 0 HB THR A 75 3.641 -4.533 -15.050 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.595 -6.978 -14.714 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.386 -5.704 -16.378 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.048 -5.105 -14.838 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.652 -6.830 -15.026 1.00 0.00 H new ATOM 1146 N PHE A 76 3.759 -7.966 -12.573 1.00 0.00 N ATOM 1147 CA PHE A 76 4.344 -9.250 -12.045 1.00 0.00 C ATOM 1148 C PHE A 76 4.420 -10.420 -13.077 1.00 0.00 C ATOM 1149 O PHE A 76 3.466 -11.142 -13.287 1.00 0.00 O ATOM 1150 CB PHE A 76 3.496 -9.647 -10.812 1.00 0.00 C ATOM 1151 CG PHE A 76 3.513 -8.551 -9.738 1.00 0.00 C ATOM 1152 CD1 PHE A 76 2.684 -7.458 -9.846 1.00 0.00 C ATOM 1153 CD2 PHE A 76 4.356 -8.637 -8.652 1.00 0.00 C ATOM 1154 CE1 PHE A 76 2.692 -6.466 -8.894 1.00 0.00 C ATOM 1155 CE2 PHE A 76 4.367 -7.642 -7.693 1.00 0.00 C ATOM 1156 CZ PHE A 76 3.532 -6.552 -7.815 1.00 0.00 C ATOM 0 H PHE A 76 2.762 -8.006 -12.785 1.00 0.00 H new ATOM 0 HA PHE A 76 5.389 -9.070 -11.792 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.469 -9.837 -11.122 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.879 -10.576 -10.390 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.017 -7.378 -10.692 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.013 -9.488 -8.549 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.034 -5.616 -8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.032 -7.719 -6.845 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.540 -5.773 -7.067 1.00 0.00 H new ATOM 1166 N PRO A 77 5.564 -10.575 -13.712 1.00 0.00 N ATOM 1167 CA PRO A 77 5.858 -11.762 -14.584 1.00 0.00 C ATOM 1168 C PRO A 77 6.245 -13.057 -13.836 1.00 0.00 C ATOM 1169 O PRO A 77 6.126 -13.126 -12.640 1.00 0.00 O ATOM 1170 CB PRO A 77 6.964 -11.271 -15.456 1.00 0.00 C ATOM 1171 CG PRO A 77 7.782 -10.380 -14.469 1.00 0.00 C ATOM 1172 CD PRO A 77 6.708 -9.614 -13.674 1.00 0.00 C ATOM 0 HA PRO A 77 4.965 -12.078 -15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.561 -12.090 -15.858 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.591 -10.701 -16.307 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.408 -10.984 -13.813 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.444 -9.698 -15.003 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.028 -9.398 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.457 -8.660 -14.138 1.00 0.00 H new ATOM 1180 N ALA A 78 6.697 -14.027 -14.595 1.00 0.00 N ATOM 1181 CA ALA A 78 7.146 -15.380 -14.095 1.00 0.00 C ATOM 1182 C ALA A 78 7.248 -15.584 -12.553 1.00 0.00 C ATOM 1183 O ALA A 78 6.737 -16.554 -12.032 1.00 0.00 O ATOM 1184 CB ALA A 78 8.505 -15.638 -14.794 1.00 0.00 C ATOM 0 H ALA A 78 6.779 -13.932 -15.607 1.00 0.00 H new ATOM 0 HA ALA A 78 6.368 -16.101 -14.345 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.897 -16.606 -14.481 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.364 -15.636 -15.875 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.210 -14.854 -14.519 1.00 0.00 H new ATOM 1190 N ASP A 79 7.890 -14.661 -11.897 1.00 0.00 N ATOM 1191 CA ASP A 79 8.067 -14.719 -10.418 1.00 0.00 C ATOM 1192 C ASP A 79 6.851 -14.025 -9.692 1.00 0.00 C ATOM 1193 O ASP A 79 6.918 -13.312 -8.708 1.00 0.00 O ATOM 1194 CB ASP A 79 9.467 -14.060 -10.220 1.00 0.00 C ATOM 1195 CG ASP A 79 9.970 -14.218 -8.797 1.00 0.00 C ATOM 1196 OD1 ASP A 79 9.835 -15.317 -8.291 1.00 0.00 O ATOM 1197 OD2 ASP A 79 10.472 -13.220 -8.315 1.00 0.00 O ATOM 0 H ASP A 79 8.313 -13.844 -12.337 1.00 0.00 H new ATOM 0 HA ASP A 79 8.059 -15.713 -9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.181 -14.510 -10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.408 -13.000 -10.469 1.00 0.00 H new ATOM 1202 N ALA A 80 5.707 -14.279 -10.268 1.00 0.00 N ATOM 1203 CA ALA A 80 4.391 -13.752 -9.760 1.00 0.00 C ATOM 1204 C ALA A 80 3.490 -14.828 -9.036 1.00 0.00 C ATOM 1205 O ALA A 80 2.519 -15.303 -9.594 1.00 0.00 O ATOM 1206 CB ALA A 80 3.685 -13.157 -10.985 1.00 0.00 C ATOM 0 H ALA A 80 5.621 -14.854 -11.106 1.00 0.00 H new ATOM 0 HA ALA A 80 4.571 -13.012 -8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.717 -12.754 -10.687 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.297 -12.359 -11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.539 -13.935 -11.734 1.00 0.00 H new ATOM 1212 N PRO A 81 3.818 -15.205 -7.817 1.00 0.00 N ATOM 1213 CA PRO A 81 2.868 -15.996 -6.965 1.00 0.00 C ATOM 1214 C PRO A 81 1.566 -15.218 -6.573 1.00 0.00 C ATOM 1215 O PRO A 81 1.376 -14.072 -6.931 1.00 0.00 O ATOM 1216 CB PRO A 81 3.771 -16.420 -5.775 1.00 0.00 C ATOM 1217 CG PRO A 81 4.790 -15.252 -5.674 1.00 0.00 C ATOM 1218 CD PRO A 81 5.116 -14.912 -7.137 1.00 0.00 C ATOM 0 HA PRO A 81 2.431 -16.853 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.198 -16.536 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.266 -17.372 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.364 -14.396 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.684 -15.549 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.415 -13.871 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.929 -15.524 -7.527 1.00 0.00 H new ATOM 1226 N ALA A 82 0.693 -15.850 -5.834 1.00 0.00 N ATOM 1227 CA ALA A 82 -0.589 -15.177 -5.416 1.00 0.00 C ATOM 1228 C ALA A 82 -0.658 -14.748 -3.916 1.00 0.00 C ATOM 1229 O ALA A 82 0.220 -15.023 -3.119 1.00 0.00 O ATOM 1230 CB ALA A 82 -1.716 -16.170 -5.785 1.00 0.00 C ATOM 0 H ALA A 82 0.806 -16.806 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.680 -14.224 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.681 -15.745 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.697 -16.359 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.565 -17.107 -5.249 1.00 0.00 H new ATOM 1236 N GLY A 83 -1.719 -14.071 -3.570 1.00 0.00 N ATOM 1237 CA GLY A 83 -1.930 -13.580 -2.145 1.00 0.00 C ATOM 1238 C GLY A 83 -2.052 -12.058 -2.077 1.00 0.00 C ATOM 1239 O GLY A 83 -2.043 -11.408 -3.096 1.00 0.00 O ATOM 0 H GLY A 83 -2.471 -13.825 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.831 -14.035 -1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.097 -13.905 -1.522 1.00 0.00 H new ATOM 1243 N GLU A 84 -2.159 -11.495 -0.908 1.00 0.00 N ATOM 1244 CA GLU A 84 -2.282 -9.994 -0.837 1.00 0.00 C ATOM 1245 C GLU A 84 -1.011 -9.310 -0.289 1.00 0.00 C ATOM 1246 O GLU A 84 -0.759 -9.297 0.904 1.00 0.00 O ATOM 1247 CB GLU A 84 -3.510 -9.692 0.023 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.889 -8.234 -0.370 1.00 0.00 C ATOM 1249 CD GLU A 84 -5.129 -7.729 0.303 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -5.064 -7.533 1.505 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -6.059 -7.568 -0.447 1.00 0.00 O ATOM 0 H GLU A 84 -2.168 -11.985 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.399 -9.585 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.324 -10.387 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.284 -9.774 1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.058 -7.573 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.027 -8.183 -1.450 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.269 -8.733 -1.197 1.00 0.00 N ATOM 1259 CA TYR A 85 1.026 -8.032 -0.858 1.00 0.00 C ATOM 1260 C TYR A 85 0.840 -6.542 -0.491 1.00 0.00 C ATOM 1261 O TYR A 85 -0.066 -5.907 -0.998 1.00 0.00 O ATOM 1262 CB TYR A 85 1.989 -8.090 -2.074 1.00 0.00 C ATOM 1263 CG TYR A 85 2.137 -9.432 -2.813 1.00 0.00 C ATOM 1264 CD1 TYR A 85 1.415 -10.585 -2.547 1.00 0.00 C ATOM 1265 CD2 TYR A 85 3.062 -9.461 -3.836 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.623 -11.726 -3.293 1.00 0.00 C ATOM 1267 CE2 TYR A 85 3.259 -10.608 -4.572 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.541 -11.731 -4.298 1.00 0.00 C ATOM 1269 OH TYR A 85 2.745 -12.864 -5.032 1.00 0.00 O ATOM 0 H TYR A 85 -0.505 -8.713 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 85 1.428 -8.554 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.659 -7.345 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.978 -7.786 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.685 -10.590 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.637 -8.575 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.055 -12.619 -3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.987 -10.616 -5.370 1.00 0.00 H new ATOM 0 HH TYR A 85 2.078 -12.914 -5.748 1.00 0.00 H new ATOM 1279 N THR A 86 1.702 -6.029 0.349 1.00 0.00 N ATOM 1280 CA THR A 86 1.586 -4.576 0.762 1.00 0.00 C ATOM 1281 C THR A 86 2.680 -3.619 0.307 1.00 0.00 C ATOM 1282 O THR A 86 3.871 -3.858 0.356 1.00 0.00 O ATOM 1283 CB THR A 86 1.575 -4.375 2.287 1.00 0.00 C ATOM 1284 OG1 THR A 86 0.749 -5.374 2.850 1.00 0.00 O ATOM 1285 CG2 THR A 86 0.749 -3.157 2.671 1.00 0.00 C ATOM 0 H THR A 86 2.479 -6.539 0.770 1.00 0.00 H new ATOM 0 HA THR A 86 0.647 -4.338 0.262 1.00 0.00 H new ATOM 0 HB THR A 86 2.617 -4.341 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.001 -4.952 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.758 -3.038 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.173 -2.268 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.277 -3.291 2.329 1.00 0.00 H new ATOM 1293 N PHE A 87 2.194 -2.513 -0.159 1.00 0.00 N ATOM 1294 CA PHE A 87 3.053 -1.418 -0.644 1.00 0.00 C ATOM 1295 C PHE A 87 2.811 -0.148 0.183 1.00 0.00 C ATOM 1296 O PHE A 87 1.767 0.456 0.055 1.00 0.00 O ATOM 1297 CB PHE A 87 2.765 -1.095 -2.131 1.00 0.00 C ATOM 1298 CG PHE A 87 1.378 -1.498 -2.574 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.084 -2.825 -2.677 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.423 -0.570 -2.884 1.00 0.00 C ATOM 1301 CE1 PHE A 87 -0.142 -3.240 -3.084 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.822 -0.971 -3.298 1.00 0.00 C ATOM 1303 CZ PHE A 87 -1.115 -2.314 -3.403 1.00 0.00 C ATOM 0 H PHE A 87 1.195 -2.319 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 87 4.088 -1.745 -0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.894 -0.025 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.500 -1.604 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.839 -3.557 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.650 0.483 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.357 -4.296 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.573 -0.234 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.092 -2.637 -3.730 1.00 0.00 H new ATOM 1313 N TYR A 88 3.722 0.248 1.019 1.00 0.00 N ATOM 1314 CA TYR A 88 3.488 1.483 1.811 1.00 0.00 C ATOM 1315 C TYR A 88 4.409 2.584 1.255 1.00 0.00 C ATOM 1316 O TYR A 88 5.321 2.306 0.498 1.00 0.00 O ATOM 1317 CB TYR A 88 3.762 1.118 3.295 1.00 0.00 C ATOM 1318 CG TYR A 88 5.215 0.754 3.492 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.159 1.739 3.679 1.00 0.00 C ATOM 1320 CD2 TYR A 88 5.597 -0.564 3.464 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.484 1.399 3.833 1.00 0.00 C ATOM 1322 CE2 TYR A 88 6.921 -0.888 3.621 1.00 0.00 C ATOM 1323 CZ TYR A 88 7.861 0.084 3.802 1.00 0.00 C ATOM 1324 OH TYR A 88 9.171 -0.295 3.918 1.00 0.00 O ATOM 0 H TYR A 88 4.611 -0.223 1.189 1.00 0.00 H new ATOM 0 HA TYR A 88 2.470 1.866 1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.502 1.960 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.128 0.283 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 88 5.860 2.777 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.861 -1.341 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.226 2.170 3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 88 7.223 -1.925 3.601 1.00 0.00 H new ATOM 0 HH TYR A 88 9.234 -1.272 3.873 1.00 0.00 H new ATOM 1334 N CYS A 89 4.175 3.800 1.631 1.00 0.00 N ATOM 1335 CA CYS A 89 5.036 4.916 1.110 1.00 0.00 C ATOM 1336 C CYS A 89 6.067 5.377 2.159 1.00 0.00 C ATOM 1337 O CYS A 89 5.929 5.146 3.340 1.00 0.00 O ATOM 1338 CB CYS A 89 4.047 6.018 0.708 1.00 0.00 C ATOM 1339 SG CYS A 89 4.393 7.352 -0.473 1.00 0.00 S ATOM 0 H CYS A 89 3.433 4.082 2.272 1.00 0.00 H new ATOM 0 HA CYS A 89 5.646 4.611 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.165 5.503 0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.754 6.509 1.636 1.00 0.00 H new ATOM 1344 N GLU A 90 7.072 6.023 1.676 1.00 0.00 N ATOM 1345 CA GLU A 90 8.172 6.548 2.546 1.00 0.00 C ATOM 1346 C GLU A 90 7.777 7.831 3.376 1.00 0.00 C ATOM 1347 O GLU A 90 7.869 7.781 4.589 1.00 0.00 O ATOM 1348 CB GLU A 90 9.332 6.684 1.495 1.00 0.00 C ATOM 1349 CG GLU A 90 10.449 7.714 1.864 1.00 0.00 C ATOM 1350 CD GLU A 90 11.123 8.176 0.588 1.00 0.00 C ATOM 1351 OE1 GLU A 90 10.506 9.034 0.002 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.172 7.672 0.234 1.00 0.00 O ATOM 0 H GLU A 90 7.193 6.222 0.683 1.00 0.00 H new ATOM 0 HA GLU A 90 8.457 5.912 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.793 5.706 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.900 6.969 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.019 8.564 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.178 7.257 2.533 1.00 0.00 H new ATOM 1359 N PRO A 91 7.353 8.924 2.773 1.00 0.00 N ATOM 1360 CA PRO A 91 6.828 10.127 3.501 1.00 0.00 C ATOM 1361 C PRO A 91 5.277 10.421 3.453 1.00 0.00 C ATOM 1362 O PRO A 91 4.904 11.548 3.192 1.00 0.00 O ATOM 1363 CB PRO A 91 7.706 11.161 2.845 1.00 0.00 C ATOM 1364 CG PRO A 91 7.588 10.747 1.324 1.00 0.00 C ATOM 1365 CD PRO A 91 7.376 9.202 1.317 1.00 0.00 C ATOM 0 HA PRO A 91 6.885 10.046 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.350 12.176 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.734 11.116 3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.754 11.258 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.488 11.020 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.447 8.914 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.183 8.675 0.807 1.00 0.00 H new ATOM 1373 N HIS A 92 4.381 9.495 3.696 1.00 0.00 N ATOM 1374 CA HIS A 92 2.891 9.840 3.621 1.00 0.00 C ATOM 1375 C HIS A 92 1.779 9.292 4.563 1.00 0.00 C ATOM 1376 O HIS A 92 1.967 8.445 5.396 1.00 0.00 O ATOM 1377 CB HIS A 92 2.494 9.549 2.172 1.00 0.00 C ATOM 1378 CG HIS A 92 2.837 10.672 1.199 1.00 0.00 C ATOM 1379 ND1 HIS A 92 3.052 10.375 -0.066 1.00 0.00 N ATOM 1380 CD2 HIS A 92 2.944 12.037 1.400 1.00 0.00 C ATOM 1381 CE1 HIS A 92 3.286 11.545 -0.632 1.00 0.00 C ATOM 1382 NE2 HIS A 92 3.221 12.500 0.225 1.00 0.00 N ATOM 0 H HIS A 92 4.593 8.528 3.940 1.00 0.00 H new ATOM 0 HA HIS A 92 2.892 10.858 4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.991 8.635 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.421 9.361 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.824 12.587 2.322 1.00 0.00 H new ATOM 0 HE1 HIS A 92 3.504 11.682 -1.681 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.367 13.486 0.009 1.00 0.00 H new ATOM 1390 N ARG A 93 0.573 9.797 4.420 1.00 0.00 N ATOM 1391 CA ARG A 93 -0.641 9.381 5.267 1.00 0.00 C ATOM 1392 C ARG A 93 -0.650 10.141 6.630 1.00 0.00 C ATOM 1393 O ARG A 93 -1.672 10.376 7.241 1.00 0.00 O ATOM 1394 CB ARG A 93 -0.643 7.841 5.581 1.00 0.00 C ATOM 1395 CG ARG A 93 -1.972 7.368 6.270 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.209 7.740 5.430 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.638 9.102 5.920 1.00 0.00 N ATOM 1398 CZ ARG A 93 -4.840 9.387 6.163 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -5.589 9.631 5.193 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -5.183 9.402 7.364 1.00 0.00 N ATOM 0 H ARG A 93 0.354 10.512 3.726 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.523 9.632 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.500 7.285 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.202 7.605 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.942 6.288 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.052 7.822 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.968 7.764 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.006 7.008 5.560 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.926 9.819 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.221 9.595 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.569 9.866 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.501 9.190 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.145 9.627 7.617 1.00 0.00 H new ATOM 1414 N GLY A 94 0.562 10.468 6.974 1.00 0.00 N ATOM 1415 CA GLY A 94 1.058 11.191 8.207 1.00 0.00 C ATOM 1416 C GLY A 94 2.439 10.540 8.459 1.00 0.00 C ATOM 1417 O GLY A 94 3.374 11.128 8.948 1.00 0.00 O ATOM 0 H GLY A 94 1.343 10.229 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.142 12.265 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.386 11.053 9.054 1.00 0.00 H new ATOM 1421 N ALA A 95 2.445 9.294 8.076 1.00 0.00 N ATOM 1422 CA ALA A 95 3.585 8.325 8.138 1.00 0.00 C ATOM 1423 C ALA A 95 4.073 7.890 6.723 1.00 0.00 C ATOM 1424 O ALA A 95 4.741 8.590 5.996 1.00 0.00 O ATOM 1425 CB ALA A 95 2.993 7.224 8.995 1.00 0.00 C ATOM 0 H ALA A 95 1.609 8.865 7.679 1.00 0.00 H new ATOM 0 HA ALA A 95 4.509 8.720 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.729 6.431 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.717 7.629 9.968 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.107 6.819 8.506 1.00 0.00 H new ATOM 1431 N GLY A 96 3.676 6.696 6.423 1.00 0.00 N ATOM 1432 CA GLY A 96 3.962 5.973 5.117 1.00 0.00 C ATOM 1433 C GLY A 96 2.755 5.307 4.393 1.00 0.00 C ATOM 1434 O GLY A 96 2.824 4.130 4.129 1.00 0.00 O ATOM 0 H GLY A 96 3.121 6.134 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.417 6.686 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.706 5.201 5.314 1.00 0.00 H new ATOM 1438 N MET A 97 1.693 6.026 4.086 1.00 0.00 N ATOM 1439 CA MET A 97 0.448 5.464 3.372 1.00 0.00 C ATOM 1440 C MET A 97 0.603 4.036 2.757 1.00 0.00 C ATOM 1441 O MET A 97 1.433 3.773 1.910 1.00 0.00 O ATOM 1442 CB MET A 97 0.003 6.505 2.266 1.00 0.00 C ATOM 1443 CG MET A 97 1.063 6.663 1.212 1.00 0.00 C ATOM 1444 SD MET A 97 0.903 8.044 0.057 1.00 0.00 S ATOM 1445 CE MET A 97 -0.423 7.353 -0.961 1.00 0.00 C ATOM 0 H MET A 97 1.619 7.020 4.302 1.00 0.00 H new ATOM 0 HA MET A 97 -0.315 5.332 4.139 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.927 6.174 1.804 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.198 7.470 2.731 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.025 6.757 1.716 1.00 0.00 H new ATOM 0 HG3 MET A 97 1.097 5.742 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.332 7.728 -1.980 1.00 0.00 H new ATOM 0 HE2 MET A 97 -0.348 6.266 -0.967 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.389 7.648 -0.550 1.00 0.00 H new ATOM 1455 N VAL A 98 -0.255 3.186 3.231 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.327 1.737 2.850 1.00 0.00 C ATOM 1457 C VAL A 98 -1.389 1.173 1.853 1.00 0.00 C ATOM 1458 O VAL A 98 -2.571 1.398 2.024 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.421 1.036 4.240 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.728 1.513 5.164 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.722 1.493 4.971 1.00 0.00 C ATOM 0 H VAL A 98 -0.962 3.451 3.917 1.00 0.00 H new ATOM 0 HA VAL A 98 0.538 1.543 2.216 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.388 -0.039 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.649 1.015 6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.687 1.269 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.658 2.592 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.785 1.002 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.700 2.574 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.591 1.223 4.370 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.949 0.466 0.833 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.902 -0.141 -0.182 1.00 0.00 C ATOM 1473 C GLY A 99 -1.724 -1.677 -0.294 1.00 0.00 C ATOM 1474 O GLY A 99 -0.654 -2.197 -0.038 1.00 0.00 O ATOM 0 H GLY A 99 0.037 0.278 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.929 0.086 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.734 0.316 -1.157 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.767 -2.367 -0.669 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.758 -3.864 -0.828 1.00 0.00 C ATOM 1480 C LYS A 100 -3.173 -4.414 -2.228 1.00 0.00 C ATOM 1481 O LYS A 100 -4.206 -4.065 -2.760 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.715 -4.472 0.250 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.034 -4.740 1.612 1.00 0.00 C ATOM 1484 CD LYS A 100 -1.805 -5.656 1.347 1.00 0.00 C ATOM 1485 CE LYS A 100 -1.517 -6.673 2.426 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.540 -7.739 2.293 1.00 0.00 N ATOM 0 H LYS A 100 -3.668 -1.940 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.717 -4.162 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.554 -3.793 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.127 -5.407 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.722 -3.804 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.729 -5.220 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.961 -6.183 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.924 -5.027 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.514 -7.084 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.564 -6.213 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.777 -8.112 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.395 -7.346 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.166 -8.507 1.701 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.354 -5.261 -2.792 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.650 -5.876 -4.141 1.00 0.00 C ATOM 1502 C ILE A 101 -2.920 -7.384 -3.890 1.00 0.00 C ATOM 1503 O ILE A 101 -2.099 -8.096 -3.335 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.405 -5.715 -5.152 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.945 -5.740 -6.619 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.418 -6.899 -5.055 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.794 -5.999 -7.673 1.00 0.00 C ATOM 0 H ILE A 101 -1.474 -5.565 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.503 -5.377 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.900 -4.785 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.703 -6.518 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.433 -4.791 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.404 -6.746 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.024 -6.962 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.936 -7.826 -5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.216 -6.008 -8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.049 -5.207 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.323 -6.961 -7.469 1.00 0.00 H new ATOM 1519 N THR A 102 -4.056 -7.846 -4.293 1.00 0.00 N ATOM 1520 CA THR A 102 -4.417 -9.293 -4.102 1.00 0.00 C ATOM 1521 C THR A 102 -4.094 -9.959 -5.443 1.00 0.00 C ATOM 1522 O THR A 102 -4.848 -9.862 -6.393 1.00 0.00 O ATOM 1523 CB THR A 102 -5.934 -9.461 -3.787 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.430 -8.193 -3.377 1.00 0.00 O ATOM 1525 CG2 THR A 102 -6.176 -10.260 -2.535 1.00 0.00 C ATOM 0 H THR A 102 -4.772 -7.286 -4.756 1.00 0.00 H new ATOM 0 HA THR A 102 -3.872 -9.731 -3.266 1.00 0.00 H new ATOM 0 HB THR A 102 -6.381 -9.913 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.349 -8.081 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.248 -10.348 -2.361 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.744 -11.254 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.711 -9.758 -1.687 1.00 0.00 H new ATOM 1533 N VAL A 103 -2.971 -10.617 -5.505 1.00 0.00 N ATOM 1534 CA VAL A 103 -2.539 -11.309 -6.763 1.00 0.00 C ATOM 1535 C VAL A 103 -3.294 -12.645 -6.858 1.00 0.00 C ATOM 1536 O VAL A 103 -3.408 -13.370 -5.884 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.007 -11.545 -6.706 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -0.512 -12.032 -8.079 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -0.228 -10.281 -6.318 1.00 0.00 C ATOM 0 H VAL A 103 -2.319 -10.709 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.764 -10.705 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.827 -12.295 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.565 -12.198 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.014 -12.965 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.736 -11.279 -8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.839 -10.504 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.418 -9.497 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.551 -9.943 -5.333 1.00 0.00 H new ATOM 1549 N ALA A 104 -3.768 -12.917 -8.039 1.00 0.00 N ATOM 1550 CA ALA A 104 -4.542 -14.166 -8.323 1.00 0.00 C ATOM 1551 C ALA A 104 -3.784 -15.195 -9.224 1.00 0.00 C ATOM 1552 O ALA A 104 -2.573 -15.158 -9.326 1.00 0.00 O ATOM 1553 CB ALA A 104 -5.868 -13.660 -8.945 1.00 0.00 C ATOM 0 H ALA A 104 -3.649 -12.308 -8.849 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.710 -14.746 -7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.504 -14.511 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.381 -13.015 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.652 -13.098 -9.854 1.00 0.00 H new ATOM 1559 N GLY A 105 -4.550 -16.067 -9.814 1.00 0.00 N ATOM 1560 CA GLY A 105 -4.079 -17.159 -10.734 1.00 0.00 C ATOM 1561 C GLY A 105 -4.982 -17.137 -11.968 1.00 0.00 C ATOM 1562 O GLY A 105 -4.456 -17.333 -13.045 1.00 0.00 O ATOM 1563 OXT GLY A 105 -6.162 -16.921 -11.748 1.00 0.00 O ATOM 0 H GLY A 105 -5.562 -16.070 -9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.038 -17.001 -11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.130 -18.128 -10.238 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.663 8.895 -0.920 1.00 0.00 CU