USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 32:sc= 0.503 USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -3.06! C(o=-7.3!,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0995 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-2.4!) USER MOD Single : A 18 SER OG : rot 52:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.351 K(o=-0.35,f=-3.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00217 X(o=-0.0022,f=-0.12) USER MOD Single : A 35 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 39:sc= 1.01 USER MOD Single : A 46 SER OG : rot -35:sc= 0.428 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.183 (180deg=-1.01) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.72! C(o=-3.4!,f=-2.7!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.612 F(o=-2!,f=-0.61) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.991 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.696 F(o=-1.2,f=-0.7) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -92:sc= 1.06 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 60:sc= 0.376 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.934 -18.512 -12.937 1.00 0.00 N ATOM 2 CA GLY A 1 -8.453 -19.169 -11.750 1.00 0.00 C ATOM 3 C GLY A 1 -7.480 -19.032 -10.577 1.00 0.00 C ATOM 4 O GLY A 1 -6.543 -18.236 -10.633 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.651 -17.861 -13.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.077 -17.977 -12.691 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.702 -19.227 -13.656 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.416 -18.734 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.627 -20.224 -11.961 1.00 0.00 H new ATOM 8 N SER A 2 -7.734 -19.820 -9.543 1.00 0.00 N ATOM 9 CA SER A 2 -6.892 -19.797 -8.359 1.00 0.00 C ATOM 10 C SER A 2 -7.004 -18.438 -7.664 1.00 0.00 C ATOM 11 O SER A 2 -6.772 -17.400 -8.282 1.00 0.00 O ATOM 12 CB SER A 2 -5.433 -20.092 -8.715 1.00 0.00 C ATOM 13 OG SER A 2 -4.978 -21.309 -8.130 1.00 0.00 O ATOM 0 H SER A 2 -8.511 -20.479 -9.500 1.00 0.00 H new ATOM 0 HA SER A 2 -7.237 -20.576 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.328 -20.149 -9.798 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.803 -19.269 -8.377 1.00 0.00 H new ATOM 0 HG SER A 2 -4.044 -21.464 -8.381 1.00 0.00 H new ATOM 19 N SER A 3 -7.359 -18.489 -6.389 1.00 0.00 N ATOM 20 CA SER A 3 -7.504 -17.275 -5.604 1.00 0.00 C ATOM 21 C SER A 3 -8.626 -16.410 -6.181 1.00 0.00 C ATOM 22 O SER A 3 -8.768 -16.302 -7.398 1.00 0.00 O ATOM 23 CB SER A 3 -6.194 -16.487 -5.561 1.00 0.00 C ATOM 24 OG SER A 3 -5.949 -15.926 -4.274 1.00 0.00 O ATOM 0 H SER A 3 -7.551 -19.352 -5.880 1.00 0.00 H new ATOM 0 HA SER A 3 -7.760 -17.557 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.367 -17.143 -5.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.226 -15.690 -6.304 1.00 0.00 H new ATOM 0 HG SER A 3 -5.102 -15.432 -4.288 1.00 0.00 H new ATOM 30 N GLY A 4 -9.394 -15.815 -5.280 1.00 0.00 N ATOM 31 CA GLY A 4 -10.499 -14.962 -5.684 1.00 0.00 C ATOM 32 C GLY A 4 -10.420 -13.599 -4.995 1.00 0.00 C ATOM 33 O GLY A 4 -9.635 -13.413 -4.066 1.00 0.00 O ATOM 0 H GLY A 4 -9.273 -15.907 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.483 -14.828 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.445 -15.444 -5.436 1.00 0.00 H new ATOM 37 N SER A 5 -11.245 -12.680 -5.475 1.00 0.00 N ATOM 38 CA SER A 5 -11.278 -11.339 -4.917 1.00 0.00 C ATOM 39 C SER A 5 -12.385 -11.238 -3.865 1.00 0.00 C ATOM 40 O SER A 5 -13.529 -10.926 -4.190 1.00 0.00 O ATOM 41 CB SER A 5 -11.490 -10.291 -6.012 1.00 0.00 C ATOM 42 OG SER A 5 -10.770 -9.090 -5.747 1.00 0.00 O ATOM 0 H SER A 5 -11.896 -12.838 -6.244 1.00 0.00 H new ATOM 0 HA SER A 5 -10.316 -11.141 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.173 -10.700 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.553 -10.065 -6.097 1.00 0.00 H new ATOM 0 HG SER A 5 -10.930 -8.447 -6.469 1.00 0.00 H new ATOM 48 N SER A 6 -12.004 -11.508 -2.625 1.00 0.00 N ATOM 49 CA SER A 6 -12.950 -11.452 -1.523 1.00 0.00 C ATOM 50 C SER A 6 -12.922 -10.064 -0.880 1.00 0.00 C ATOM 51 O SER A 6 -12.009 -9.278 -1.130 1.00 0.00 O ATOM 52 CB SER A 6 -12.643 -12.527 -0.478 1.00 0.00 C ATOM 53 OG SER A 6 -13.637 -12.579 0.542 1.00 0.00 O ATOM 0 H SER A 6 -11.054 -11.766 -2.359 1.00 0.00 H new ATOM 0 HA SER A 6 -13.948 -11.643 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.574 -13.499 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.671 -12.327 -0.027 1.00 0.00 H new ATOM 0 HG SER A 6 -13.406 -13.278 1.189 1.00 0.00 H new ATOM 59 N GLY A 7 -13.933 -9.804 -0.064 1.00 0.00 N ATOM 60 CA GLY A 7 -14.036 -8.524 0.616 1.00 0.00 C ATOM 61 C GLY A 7 -14.210 -7.382 -0.387 1.00 0.00 C ATOM 62 O GLY A 7 -15.207 -7.328 -1.105 1.00 0.00 O ATOM 0 H GLY A 7 -14.688 -10.458 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.882 -8.541 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.141 -8.353 1.215 1.00 0.00 H new ATOM 66 N LYS A 8 -13.224 -6.497 -0.405 1.00 0.00 N ATOM 67 CA LYS A 8 -13.255 -5.360 -1.308 1.00 0.00 C ATOM 68 C LYS A 8 -11.823 -4.933 -1.634 1.00 0.00 C ATOM 69 O LYS A 8 -10.897 -5.222 -0.877 1.00 0.00 O ATOM 70 CB LYS A 8 -14.113 -4.235 -0.724 1.00 0.00 C ATOM 71 CG LYS A 8 -15.296 -3.916 -1.641 1.00 0.00 C ATOM 72 CD LYS A 8 -16.569 -4.611 -1.156 1.00 0.00 C ATOM 73 CE LYS A 8 -17.818 -3.887 -1.664 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.994 -4.783 -1.612 1.00 0.00 N ATOM 0 H LYS A 8 -12.398 -6.545 0.192 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.729 -5.636 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.479 -4.526 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.504 -3.342 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.456 -2.838 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.068 -4.235 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.578 -5.645 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.579 -4.640 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.003 -3.000 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.658 -3.547 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.833 -4.276 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.821 -5.617 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.156 -5.087 -0.631 1.00 0.00 H new ATOM 88 N SER A 9 -11.684 -4.253 -2.763 1.00 0.00 N ATOM 89 CA SER A 9 -10.380 -3.784 -3.199 1.00 0.00 C ATOM 90 C SER A 9 -10.459 -2.307 -3.592 1.00 0.00 C ATOM 91 O SER A 9 -11.177 -1.947 -4.523 1.00 0.00 O ATOM 92 CB SER A 9 -9.859 -4.618 -4.371 1.00 0.00 C ATOM 93 OG SER A 9 -10.581 -4.361 -5.572 1.00 0.00 O ATOM 0 H SER A 9 -12.454 -4.016 -3.389 1.00 0.00 H new ATOM 0 HA SER A 9 -9.682 -3.895 -2.370 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.803 -4.400 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.933 -5.677 -4.123 1.00 0.00 H new ATOM 0 HG SER A 9 -10.883 -3.429 -5.579 1.00 0.00 H new ATOM 99 N LEU A 10 -9.712 -1.493 -2.861 1.00 0.00 N ATOM 100 CA LEU A 10 -9.688 -0.064 -3.121 1.00 0.00 C ATOM 101 C LEU A 10 -8.316 0.327 -3.672 1.00 0.00 C ATOM 102 O LEU A 10 -7.320 -0.340 -3.399 1.00 0.00 O ATOM 103 CB LEU A 10 -10.093 0.716 -1.868 1.00 0.00 C ATOM 104 CG LEU A 10 -11.145 0.053 -0.977 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.424 0.902 0.265 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.421 -0.247 -1.765 1.00 0.00 C ATOM 0 H LEU A 10 -9.119 -1.796 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.423 0.197 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.199 0.894 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.469 1.691 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.748 -0.902 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.175 0.409 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.505 1.021 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.791 1.882 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.152 -0.718 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.833 0.682 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.189 -0.920 -2.591 1.00 0.00 H new ATOM 118 N THR A 11 -8.307 1.408 -4.439 1.00 0.00 N ATOM 119 CA THR A 11 -7.073 1.896 -5.031 1.00 0.00 C ATOM 120 C THR A 11 -6.601 3.161 -4.312 1.00 0.00 C ATOM 121 O THR A 11 -7.412 4.008 -3.940 1.00 0.00 O ATOM 122 CB THR A 11 -7.316 2.102 -6.528 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.193 1.038 -6.887 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.061 1.849 -7.365 1.00 0.00 C ATOM 0 H THR A 11 -9.135 1.960 -4.664 1.00 0.00 H new ATOM 0 HA THR A 11 -6.265 1.173 -4.915 1.00 0.00 H new ATOM 0 HB THR A 11 -7.669 3.118 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.404 1.096 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.288 2.009 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.273 2.535 -7.056 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.726 0.822 -7.218 1.00 0.00 H new ATOM 132 N LEU A 12 -5.290 3.250 -4.138 1.00 0.00 N ATOM 133 CA LEU A 12 -4.700 4.397 -3.470 1.00 0.00 C ATOM 134 C LEU A 12 -3.426 4.812 -4.209 1.00 0.00 C ATOM 135 O LEU A 12 -2.600 3.968 -4.551 1.00 0.00 O ATOM 136 CB LEU A 12 -4.480 4.098 -1.986 1.00 0.00 C ATOM 137 CG LEU A 12 -4.963 2.731 -1.498 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.829 1.706 -1.528 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.602 2.838 -0.112 1.00 0.00 C ATOM 0 H LEU A 12 -4.620 2.546 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.380 5.248 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.414 4.182 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.983 4.869 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.735 2.378 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.199 0.743 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.460 1.602 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.018 2.041 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.937 1.852 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.870 3.223 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.455 3.515 -0.156 1.00 0.00 H new ATOM 151 N VAL A 13 -3.308 6.113 -4.434 1.00 0.00 N ATOM 152 CA VAL A 13 -2.149 6.650 -5.126 1.00 0.00 C ATOM 153 C VAL A 13 -1.182 7.250 -4.103 1.00 0.00 C ATOM 154 O VAL A 13 -1.519 8.215 -3.418 1.00 0.00 O ATOM 155 CB VAL A 13 -2.595 7.656 -6.190 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.625 9.077 -5.622 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.699 7.579 -7.427 1.00 0.00 C ATOM 0 H VAL A 13 -3.996 6.810 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.616 5.857 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.609 7.395 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.945 9.772 -6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.323 9.120 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.628 9.352 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.038 8.304 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.670 7.802 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.750 6.576 -7.851 1.00 0.00 H new ATOM 167 N LEU A 14 -0.001 6.655 -4.033 1.00 0.00 N ATOM 168 CA LEU A 14 1.017 7.118 -3.105 1.00 0.00 C ATOM 169 C LEU A 14 2.147 7.789 -3.888 1.00 0.00 C ATOM 170 O LEU A 14 2.358 7.487 -5.062 1.00 0.00 O ATOM 171 CB LEU A 14 1.486 5.972 -2.208 1.00 0.00 C ATOM 172 CG LEU A 14 0.388 5.066 -1.646 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.957 4.086 -0.619 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.764 5.894 -1.072 1.00 0.00 C ATOM 0 H LEU A 14 0.274 5.856 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 14 0.605 7.870 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.183 5.355 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.043 6.396 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.018 4.473 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.156 3.454 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.715 3.463 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.406 4.642 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.531 5.227 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.390 6.530 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.192 6.516 -1.858 1.00 0.00 H new ATOM 186 N HIS A 15 2.844 8.686 -3.207 1.00 0.00 N ATOM 187 CA HIS A 15 3.948 9.402 -3.825 1.00 0.00 C ATOM 188 C HIS A 15 5.186 9.307 -2.930 1.00 0.00 C ATOM 189 O HIS A 15 5.152 8.662 -1.884 1.00 0.00 O ATOM 190 CB HIS A 15 3.552 10.846 -4.137 1.00 0.00 C ATOM 191 CG HIS A 15 2.511 10.976 -5.224 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.807 11.443 -6.493 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.177 10.694 -5.219 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.693 11.439 -7.210 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.683 10.975 -6.418 1.00 0.00 N ATOM 0 H HIS A 15 2.666 8.934 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 15 4.196 8.940 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.173 11.313 -3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.443 11.400 -4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.617 10.307 -4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.600 11.749 -8.241 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.291 10.863 -6.701 1.00 0.00 H new ATOM 203 N ARG A 16 6.249 9.961 -3.375 1.00 0.00 N ATOM 204 CA ARG A 16 7.495 9.958 -2.627 1.00 0.00 C ATOM 205 C ARG A 16 7.943 11.393 -2.338 1.00 0.00 C ATOM 206 O ARG A 16 8.664 11.994 -3.133 1.00 0.00 O ATOM 207 CB ARG A 16 8.599 9.233 -3.399 1.00 0.00 C ATOM 208 CG ARG A 16 8.294 7.738 -3.516 1.00 0.00 C ATOM 209 CD ARG A 16 9.566 6.940 -3.811 1.00 0.00 C ATOM 210 NE ARG A 16 9.652 6.640 -5.258 1.00 0.00 N ATOM 211 CZ ARG A 16 10.166 7.477 -6.169 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.643 8.670 -5.790 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.203 7.120 -7.461 1.00 0.00 N ATOM 0 H ARG A 16 6.273 10.496 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 16 7.318 9.432 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.697 9.667 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.554 9.375 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.844 7.382 -2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.565 7.573 -4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.442 7.507 -3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.564 6.012 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 16 9.298 5.740 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.615 8.942 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.034 9.307 -6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.840 6.212 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.594 7.757 -8.155 1.00 0.00 H new ATOM 227 N ASP A 17 7.497 11.899 -1.198 1.00 0.00 N ATOM 228 CA ASP A 17 7.843 13.251 -0.793 1.00 0.00 C ATOM 229 C ASP A 17 9.366 13.380 -0.708 1.00 0.00 C ATOM 230 O ASP A 17 9.948 14.300 -1.281 1.00 0.00 O ATOM 231 CB ASP A 17 7.263 13.580 0.583 1.00 0.00 C ATOM 232 CG ASP A 17 7.995 14.686 1.346 1.00 0.00 C ATOM 233 OD1 ASP A 17 7.777 15.863 0.988 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.757 14.329 2.271 1.00 0.00 O ATOM 0 H ASP A 17 6.899 11.397 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 17 7.431 13.939 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.220 13.873 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.271 12.675 1.190 1.00 0.00 H new ATOM 239 N SER A 18 9.967 12.443 0.011 1.00 0.00 N ATOM 240 CA SER A 18 11.410 12.440 0.179 1.00 0.00 C ATOM 241 C SER A 18 11.871 11.087 0.723 1.00 0.00 C ATOM 242 O SER A 18 12.083 10.937 1.926 1.00 0.00 O ATOM 243 CB SER A 18 11.859 13.568 1.111 1.00 0.00 C ATOM 244 OG SER A 18 11.419 13.360 2.450 1.00 0.00 O ATOM 0 H SER A 18 9.481 11.681 0.484 1.00 0.00 H new ATOM 0 HA SER A 18 11.868 12.607 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.946 13.641 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.470 14.518 0.745 1.00 0.00 H new ATOM 0 HG SER A 18 11.679 12.462 2.744 1.00 0.00 H new ATOM 250 N GLY A 19 12.012 10.135 -0.188 1.00 0.00 N ATOM 251 CA GLY A 19 12.443 8.799 0.186 1.00 0.00 C ATOM 252 C GLY A 19 11.593 8.249 1.333 1.00 0.00 C ATOM 253 O GLY A 19 12.118 7.634 2.260 1.00 0.00 O ATOM 0 H GLY A 19 11.835 10.263 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.371 8.135 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.491 8.821 0.484 1.00 0.00 H new ATOM 257 N SER A 20 10.294 8.491 1.233 1.00 0.00 N ATOM 258 CA SER A 20 9.366 8.027 2.251 1.00 0.00 C ATOM 259 C SER A 20 7.942 8.012 1.692 1.00 0.00 C ATOM 260 O SER A 20 7.356 9.065 1.446 1.00 0.00 O ATOM 261 CB SER A 20 9.436 8.906 3.501 1.00 0.00 C ATOM 262 OG SER A 20 8.858 8.267 4.636 1.00 0.00 O ATOM 0 H SER A 20 9.862 9.002 0.463 1.00 0.00 H new ATOM 0 HA SER A 20 9.649 7.014 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.476 9.151 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.919 9.847 3.312 1.00 0.00 H new ATOM 0 HG SER A 20 8.924 8.860 5.414 1.00 0.00 H new ATOM 268 N LEU A 21 7.426 6.805 1.507 1.00 0.00 N ATOM 269 CA LEU A 21 6.082 6.638 0.982 1.00 0.00 C ATOM 270 C LEU A 21 5.082 7.297 1.934 1.00 0.00 C ATOM 271 O LEU A 21 4.025 7.761 1.507 1.00 0.00 O ATOM 272 CB LEU A 21 5.792 5.161 0.712 1.00 0.00 C ATOM 273 CG LEU A 21 6.289 4.614 -0.628 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.569 5.288 -1.797 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.810 4.740 -0.741 1.00 0.00 C ATOM 0 H LEU A 21 7.915 5.934 1.712 1.00 0.00 H new ATOM 0 HA LEU A 21 5.984 7.139 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.240 4.571 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.714 5.007 0.768 1.00 0.00 H new ATOM 0 HG LEU A 21 6.050 3.552 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.941 4.881 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.498 5.103 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.754 6.362 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.137 4.344 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.095 5.789 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.283 4.176 0.063 1.00 0.00 H new ATOM 287 N GLY A 22 5.450 7.318 3.207 1.00 0.00 N ATOM 288 CA GLY A 22 4.598 7.912 4.223 1.00 0.00 C ATOM 289 C GLY A 22 3.912 6.834 5.063 1.00 0.00 C ATOM 290 O GLY A 22 2.813 7.045 5.574 1.00 0.00 O ATOM 0 H GLY A 22 6.327 6.933 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.193 8.558 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.845 8.542 3.749 1.00 0.00 H new ATOM 294 N PHE A 23 4.588 5.700 5.180 1.00 0.00 N ATOM 295 CA PHE A 23 4.057 4.588 5.949 1.00 0.00 C ATOM 296 C PHE A 23 5.069 3.442 6.026 1.00 0.00 C ATOM 297 O PHE A 23 6.160 3.534 5.466 1.00 0.00 O ATOM 298 CB PHE A 23 2.804 4.098 5.220 1.00 0.00 C ATOM 299 CG PHE A 23 3.096 3.184 4.028 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.048 3.531 3.121 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.402 2.024 3.875 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.318 2.683 2.015 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.672 1.176 2.768 1.00 0.00 C ATOM 304 CZ PHE A 23 3.624 1.523 1.862 1.00 0.00 C ATOM 0 H PHE A 23 5.499 5.528 4.755 1.00 0.00 H new ATOM 0 HA PHE A 23 3.836 4.911 6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.170 3.564 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.237 4.962 4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.599 4.452 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.646 1.748 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.074 2.959 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.121 0.255 2.646 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.829 0.878 1.021 1.00 0.00 H new ATOM 314 N ASN A 24 4.670 2.389 6.725 1.00 0.00 N ATOM 315 CA ASN A 24 5.528 1.227 6.882 1.00 0.00 C ATOM 316 C ASN A 24 4.721 -0.040 6.594 1.00 0.00 C ATOM 317 O ASN A 24 3.494 0.003 6.526 1.00 0.00 O ATOM 318 CB ASN A 24 6.066 1.130 8.311 1.00 0.00 C ATOM 319 CG ASN A 24 7.567 0.834 8.313 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.242 0.906 7.299 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.050 0.496 9.505 1.00 0.00 N ATOM 0 H ASN A 24 3.764 2.317 7.189 1.00 0.00 H new ATOM 0 HA ASN A 24 6.362 1.327 6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.875 2.064 8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.536 0.345 8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.041 0.278 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.430 0.455 10.314 1.00 0.00 H new ATOM 328 N ILE A 25 5.443 -1.139 6.433 1.00 0.00 N ATOM 329 CA ILE A 25 4.810 -2.417 6.153 1.00 0.00 C ATOM 330 C ILE A 25 5.411 -3.489 7.063 1.00 0.00 C ATOM 331 O ILE A 25 6.482 -3.293 7.637 1.00 0.00 O ATOM 332 CB ILE A 25 4.908 -2.749 4.663 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.273 -2.345 4.100 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.756 -2.114 3.882 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.508 -2.978 2.727 1.00 0.00 C ATOM 0 H ILE A 25 6.461 -1.171 6.491 1.00 0.00 H new ATOM 0 HA ILE A 25 3.744 -2.371 6.376 1.00 0.00 H new ATOM 0 HB ILE A 25 4.818 -3.829 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.330 -1.260 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.060 -2.655 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.850 -2.366 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.807 -2.492 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.789 -1.031 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.485 -2.675 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.474 -4.064 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.733 -2.647 2.036 1.00 0.00 H new ATOM 347 N ILE A 26 4.697 -4.600 7.168 1.00 0.00 N ATOM 348 CA ILE A 26 5.146 -5.704 7.999 1.00 0.00 C ATOM 349 C ILE A 26 5.148 -6.991 7.172 1.00 0.00 C ATOM 350 O ILE A 26 4.547 -7.045 6.100 1.00 0.00 O ATOM 351 CB ILE A 26 4.305 -5.792 9.274 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.025 -6.594 9.031 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.011 -4.400 9.835 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.298 -6.879 10.347 1.00 0.00 C ATOM 0 H ILE A 26 3.810 -4.759 6.691 1.00 0.00 H new ATOM 0 HA ILE A 26 6.170 -5.538 8.333 1.00 0.00 H new ATOM 0 HB ILE A 26 4.883 -6.327 10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.367 -6.041 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.269 -7.534 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.412 -4.492 10.741 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.949 -3.897 10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.462 -3.818 9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.392 -7.450 10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.950 -7.453 11.006 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.034 -5.937 10.828 1.00 0.00 H new ATOM 366 N GLY A 27 5.829 -7.996 7.702 1.00 0.00 N ATOM 367 CA GLY A 27 5.916 -9.280 7.027 1.00 0.00 C ATOM 368 C GLY A 27 7.300 -9.479 6.406 1.00 0.00 C ATOM 369 O GLY A 27 8.231 -8.732 6.702 1.00 0.00 O ATOM 0 H GLY A 27 6.326 -7.947 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.713 -10.082 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.153 -9.340 6.251 1.00 0.00 H new ATOM 373 N GLY A 28 7.391 -10.492 5.556 1.00 0.00 N ATOM 374 CA GLY A 28 8.646 -10.799 4.890 1.00 0.00 C ATOM 375 C GLY A 28 9.373 -11.946 5.594 1.00 0.00 C ATOM 376 O GLY A 28 9.570 -13.011 5.012 1.00 0.00 O ATOM 0 H GLY A 28 6.617 -11.110 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.454 -11.068 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.282 -9.914 4.878 1.00 0.00 H new ATOM 380 N ARG A 29 9.753 -11.688 6.837 1.00 0.00 N ATOM 381 CA ARG A 29 10.455 -12.686 7.627 1.00 0.00 C ATOM 382 C ARG A 29 11.817 -12.994 7.004 1.00 0.00 C ATOM 383 O ARG A 29 12.064 -12.661 5.846 1.00 0.00 O ATOM 384 CB ARG A 29 9.643 -13.979 7.728 1.00 0.00 C ATOM 385 CG ARG A 29 8.904 -14.060 9.066 1.00 0.00 C ATOM 386 CD ARG A 29 7.528 -14.706 8.894 1.00 0.00 C ATOM 387 NE ARG A 29 7.390 -15.856 9.815 1.00 0.00 N ATOM 388 CZ ARG A 29 7.399 -15.753 11.151 1.00 0.00 C ATOM 389 NH1 ARG A 29 7.539 -14.553 11.730 1.00 0.00 N ATOM 390 NH2 ARG A 29 7.268 -16.851 11.908 1.00 0.00 N ATOM 0 H ARG A 29 9.588 -10.803 7.316 1.00 0.00 H new ATOM 0 HA ARG A 29 10.594 -12.279 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.926 -14.027 6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.306 -14.838 7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.494 -14.638 9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.790 -13.060 9.484 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.746 -13.974 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.399 -15.037 7.864 1.00 0.00 H new ATOM 0 HE ARG A 29 7.281 -16.785 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.639 -13.717 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.546 -14.475 12.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.162 -17.765 11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.275 -16.773 12.925 1.00 0.00 H new ATOM 404 N PRO A 30 12.689 -13.644 7.821 1.00 0.00 N ATOM 405 CA PRO A 30 14.021 -14.001 7.361 1.00 0.00 C ATOM 406 C PRO A 30 13.970 -15.196 6.408 1.00 0.00 C ATOM 407 O PRO A 30 14.399 -15.098 5.259 1.00 0.00 O ATOM 408 CB PRO A 30 14.811 -14.285 8.628 1.00 0.00 C ATOM 409 CG PRO A 30 13.779 -14.530 9.717 1.00 0.00 C ATOM 410 CD PRO A 30 12.432 -14.054 9.198 1.00 0.00 C ATOM 0 HA PRO A 30 14.493 -13.207 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.457 -15.154 8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.456 -13.444 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.737 -15.589 9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.049 -13.993 10.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.687 -14.849 9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.049 -13.225 9.793 1.00 0.00 H new ATOM 418 N SER A 31 13.441 -16.298 6.919 1.00 0.00 N ATOM 419 CA SER A 31 13.328 -17.511 6.127 1.00 0.00 C ATOM 420 C SER A 31 14.718 -17.997 5.712 1.00 0.00 C ATOM 421 O SER A 31 15.669 -17.217 5.687 1.00 0.00 O ATOM 422 CB SER A 31 12.454 -17.284 4.892 1.00 0.00 C ATOM 423 OG SER A 31 11.166 -16.780 5.235 1.00 0.00 O ATOM 0 H SER A 31 13.086 -16.376 7.872 1.00 0.00 H new ATOM 0 HA SER A 31 12.851 -18.276 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.950 -16.584 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.343 -18.222 4.349 1.00 0.00 H new ATOM 0 HG SER A 31 10.639 -16.647 4.420 1.00 0.00 H new ATOM 429 N VAL A 32 14.792 -19.281 5.397 1.00 0.00 N ATOM 430 CA VAL A 32 16.050 -19.880 4.984 1.00 0.00 C ATOM 431 C VAL A 32 15.890 -20.480 3.586 1.00 0.00 C ATOM 432 O VAL A 32 16.532 -20.033 2.637 1.00 0.00 O ATOM 433 CB VAL A 32 16.510 -20.902 6.025 1.00 0.00 C ATOM 434 CG1 VAL A 32 17.715 -21.697 5.518 1.00 0.00 C ATOM 435 CG2 VAL A 32 16.822 -20.223 7.360 1.00 0.00 C ATOM 0 H VAL A 32 14.001 -19.924 5.419 1.00 0.00 H new ATOM 0 HA VAL A 32 16.832 -19.123 4.925 1.00 0.00 H new ATOM 0 HB VAL A 32 15.692 -21.603 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.022 -22.416 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.443 -22.227 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.539 -21.015 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 17.147 -20.972 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 32 17.615 -19.488 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.927 -19.724 7.732 1.00 0.00 H new ATOM 445 N ASP A 33 15.029 -21.484 3.503 1.00 0.00 N ATOM 446 CA ASP A 33 14.776 -22.150 2.237 1.00 0.00 C ATOM 447 C ASP A 33 13.656 -21.419 1.495 1.00 0.00 C ATOM 448 O ASP A 33 12.915 -20.640 2.094 1.00 0.00 O ATOM 449 CB ASP A 33 14.331 -23.598 2.456 1.00 0.00 C ATOM 450 CG ASP A 33 14.885 -24.604 1.445 1.00 0.00 C ATOM 451 OD1 ASP A 33 16.118 -24.580 1.238 1.00 0.00 O ATOM 452 OD2 ASP A 33 14.064 -25.375 0.903 1.00 0.00 O ATOM 0 H ASP A 33 14.498 -21.852 4.292 1.00 0.00 H new ATOM 0 HA ASP A 33 15.701 -22.139 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.632 -23.908 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.242 -23.636 2.425 1.00 0.00 H new ATOM 457 N ASN A 34 13.567 -21.694 0.203 1.00 0.00 N ATOM 458 CA ASN A 34 12.549 -21.072 -0.627 1.00 0.00 C ATOM 459 C ASN A 34 11.299 -21.954 -0.641 1.00 0.00 C ATOM 460 O ASN A 34 10.207 -21.495 -0.310 1.00 0.00 O ATOM 461 CB ASN A 34 13.034 -20.916 -2.070 1.00 0.00 C ATOM 462 CG ASN A 34 12.733 -19.513 -2.601 1.00 0.00 C ATOM 463 OD1 ASN A 34 11.673 -18.951 -2.378 1.00 0.00 O ATOM 464 ND2 ASN A 34 13.722 -18.981 -3.314 1.00 0.00 N ATOM 0 H ASN A 34 14.183 -22.340 -0.291 1.00 0.00 H new ATOM 0 HA ASN A 34 12.331 -20.088 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.106 -21.105 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.550 -21.660 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.619 -18.048 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.584 -19.506 -3.462 1.00 0.00 H new ATOM 471 N HIS A 35 11.501 -23.205 -1.029 1.00 0.00 N ATOM 472 CA HIS A 35 10.404 -24.156 -1.091 1.00 0.00 C ATOM 473 C HIS A 35 9.484 -23.803 -2.262 1.00 0.00 C ATOM 474 O HIS A 35 9.514 -22.679 -2.762 1.00 0.00 O ATOM 475 CB HIS A 35 9.663 -24.218 0.246 1.00 0.00 C ATOM 476 CG HIS A 35 9.895 -25.496 1.018 1.00 0.00 C ATOM 477 ND1 HIS A 35 10.307 -25.509 2.339 1.00 0.00 N ATOM 478 CD2 HIS A 35 9.767 -26.800 0.640 1.00 0.00 C ATOM 479 CE1 HIS A 35 10.420 -26.771 2.728 1.00 0.00 C ATOM 480 NE2 HIS A 35 10.086 -27.569 1.674 1.00 0.00 N ATOM 0 H HIS A 35 12.408 -23.582 -1.304 1.00 0.00 H new ATOM 0 HA HIS A 35 10.796 -25.157 -1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.972 -23.373 0.861 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.594 -24.105 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.459 -27.148 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.723 -27.108 3.708 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.082 -28.589 1.679 1.00 0.00 H new ATOM 488 N ASP A 36 8.689 -24.783 -2.664 1.00 0.00 N ATOM 489 CA ASP A 36 7.763 -24.590 -3.767 1.00 0.00 C ATOM 490 C ASP A 36 7.058 -23.242 -3.605 1.00 0.00 C ATOM 491 O ASP A 36 6.910 -22.744 -2.490 1.00 0.00 O ATOM 492 CB ASP A 36 6.693 -25.684 -3.785 1.00 0.00 C ATOM 493 CG ASP A 36 5.947 -25.881 -2.464 1.00 0.00 C ATOM 494 OD1 ASP A 36 6.624 -26.246 -1.479 1.00 0.00 O ATOM 495 OD2 ASP A 36 4.716 -25.661 -2.469 1.00 0.00 O ATOM 0 H ASP A 36 8.667 -25.713 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 36 8.332 -24.626 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.967 -25.448 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.164 -26.627 -4.063 1.00 0.00 H new ATOM 500 N GLY A 37 6.641 -22.689 -4.735 1.00 0.00 N ATOM 501 CA GLY A 37 5.955 -21.408 -4.732 1.00 0.00 C ATOM 502 C GLY A 37 4.454 -21.590 -4.502 1.00 0.00 C ATOM 503 O GLY A 37 3.710 -21.880 -5.438 1.00 0.00 O ATOM 0 H GLY A 37 6.765 -23.105 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.371 -20.770 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.122 -20.900 -5.682 1.00 0.00 H new ATOM 507 N SER A 38 4.053 -21.412 -3.252 1.00 0.00 N ATOM 508 CA SER A 38 2.654 -21.553 -2.887 1.00 0.00 C ATOM 509 C SER A 38 2.404 -20.920 -1.517 1.00 0.00 C ATOM 510 O SER A 38 2.591 -21.567 -0.487 1.00 0.00 O ATOM 511 CB SER A 38 2.233 -23.024 -2.877 1.00 0.00 C ATOM 512 OG SER A 38 1.100 -23.261 -3.708 1.00 0.00 O ATOM 0 H SER A 38 4.673 -21.171 -2.479 1.00 0.00 H new ATOM 0 HA SER A 38 2.052 -21.036 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.065 -23.642 -3.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.004 -23.328 -1.856 1.00 0.00 H new ATOM 0 HG SER A 38 0.864 -24.212 -3.676 1.00 0.00 H new ATOM 518 N SER A 39 1.985 -19.664 -1.549 1.00 0.00 N ATOM 519 CA SER A 39 1.708 -18.936 -0.322 1.00 0.00 C ATOM 520 C SER A 39 2.993 -18.776 0.494 1.00 0.00 C ATOM 521 O SER A 39 3.698 -19.752 0.746 1.00 0.00 O ATOM 522 CB SER A 39 0.637 -19.646 0.509 1.00 0.00 C ATOM 523 OG SER A 39 -0.577 -19.816 -0.217 1.00 0.00 O ATOM 0 H SER A 39 1.830 -19.131 -2.405 1.00 0.00 H new ATOM 0 HA SER A 39 1.329 -17.949 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.010 -20.620 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.441 -19.071 1.414 1.00 0.00 H new ATOM 0 HG SER A 39 -1.234 -20.274 0.347 1.00 0.00 H new ATOM 529 N SER A 40 3.258 -17.537 0.883 1.00 0.00 N ATOM 530 CA SER A 40 4.445 -17.237 1.664 1.00 0.00 C ATOM 531 C SER A 40 4.348 -15.823 2.241 1.00 0.00 C ATOM 532 O SER A 40 4.203 -14.854 1.497 1.00 0.00 O ATOM 533 CB SER A 40 5.712 -17.379 0.818 1.00 0.00 C ATOM 534 OG SER A 40 6.235 -18.704 0.858 1.00 0.00 O ATOM 0 H SER A 40 2.671 -16.730 0.672 1.00 0.00 H new ATOM 0 HA SER A 40 4.505 -17.954 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.491 -17.108 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.468 -16.680 1.177 1.00 0.00 H new ATOM 0 HG SER A 40 5.496 -19.348 0.847 1.00 0.00 H new ATOM 540 N GLU A 41 4.432 -15.750 3.561 1.00 0.00 N ATOM 541 CA GLU A 41 4.355 -14.471 4.246 1.00 0.00 C ATOM 542 C GLU A 41 3.262 -13.599 3.623 1.00 0.00 C ATOM 543 O GLU A 41 2.409 -14.097 2.891 1.00 0.00 O ATOM 544 CB GLU A 41 5.707 -13.755 4.223 1.00 0.00 C ATOM 545 CG GLU A 41 6.068 -13.310 2.805 1.00 0.00 C ATOM 546 CD GLU A 41 6.793 -14.426 2.049 1.00 0.00 C ATOM 547 OE1 GLU A 41 7.399 -15.276 2.736 1.00 0.00 O ATOM 548 OE2 GLU A 41 6.724 -14.404 0.801 1.00 0.00 O ATOM 0 H GLU A 41 4.553 -16.556 4.175 1.00 0.00 H new ATOM 0 HA GLU A 41 4.095 -14.655 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.675 -12.888 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.481 -14.419 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.163 -13.029 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.701 -12.424 2.848 1.00 0.00 H new ATOM 555 N GLY A 42 3.325 -12.313 3.936 1.00 0.00 N ATOM 556 CA GLY A 42 2.352 -11.368 3.416 1.00 0.00 C ATOM 557 C GLY A 42 2.763 -9.929 3.731 1.00 0.00 C ATOM 558 O GLY A 42 3.401 -9.671 4.750 1.00 0.00 O ATOM 0 H GLY A 42 4.035 -11.904 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.257 -11.495 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.373 -11.573 3.849 1.00 0.00 H new ATOM 562 N ILE A 43 2.379 -9.029 2.837 1.00 0.00 N ATOM 563 CA ILE A 43 2.700 -7.622 3.007 1.00 0.00 C ATOM 564 C ILE A 43 1.481 -6.890 3.574 1.00 0.00 C ATOM 565 O ILE A 43 0.396 -6.947 2.998 1.00 0.00 O ATOM 566 CB ILE A 43 3.219 -7.028 1.696 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.344 -7.885 1.114 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.646 -5.571 1.885 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.335 -8.303 2.203 1.00 0.00 C ATOM 0 H ILE A 43 1.849 -9.247 1.993 1.00 0.00 H new ATOM 0 HA ILE A 43 3.509 -7.500 3.727 1.00 0.00 H new ATOM 0 HB ILE A 43 2.404 -7.032 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.923 -8.772 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.866 -7.327 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.011 -5.173 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.792 -4.982 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.439 -5.518 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.125 -8.911 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.773 -7.414 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.814 -8.882 2.966 1.00 0.00 H new ATOM 581 N PHE A 44 1.702 -6.220 4.695 1.00 0.00 N ATOM 582 CA PHE A 44 0.635 -5.478 5.346 1.00 0.00 C ATOM 583 C PHE A 44 1.152 -4.150 5.903 1.00 0.00 C ATOM 584 O PHE A 44 2.354 -3.980 6.095 1.00 0.00 O ATOM 585 CB PHE A 44 0.131 -6.342 6.504 1.00 0.00 C ATOM 586 CG PHE A 44 -0.648 -7.583 6.062 1.00 0.00 C ATOM 587 CD1 PHE A 44 0.014 -8.656 5.552 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.003 -7.612 6.178 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.709 -9.807 5.142 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.726 -8.763 5.768 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.064 -9.836 5.258 1.00 0.00 C ATOM 0 H PHE A 44 2.604 -6.175 5.169 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.156 -5.257 4.629 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.983 -6.656 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.507 -5.735 7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.090 -8.632 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.529 -6.760 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.183 -10.659 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.802 -8.787 5.861 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.614 -10.711 4.945 1.00 0.00 H new ATOM 601 N VAL A 45 0.216 -3.244 6.148 1.00 0.00 N ATOM 602 CA VAL A 45 0.562 -1.937 6.679 1.00 0.00 C ATOM 603 C VAL A 45 0.267 -1.907 8.180 1.00 0.00 C ATOM 604 O VAL A 45 -0.861 -2.161 8.600 1.00 0.00 O ATOM 605 CB VAL A 45 -0.176 -0.844 5.903 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.132 0.540 6.477 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.161 -0.907 4.412 1.00 0.00 C ATOM 0 H VAL A 45 -0.781 -3.390 5.988 1.00 0.00 H new ATOM 0 HA VAL A 45 1.627 -1.744 6.553 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.246 -1.021 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.405 1.298 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.182 0.580 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.203 0.730 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.377 -0.120 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.234 -0.769 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.133 -1.878 4.013 1.00 0.00 H new ATOM 617 N SER A 46 1.301 -1.595 8.948 1.00 0.00 N ATOM 618 CA SER A 46 1.167 -1.529 10.393 1.00 0.00 C ATOM 619 C SER A 46 1.487 -0.116 10.884 1.00 0.00 C ATOM 620 O SER A 46 1.344 0.181 12.069 1.00 0.00 O ATOM 621 CB SER A 46 2.080 -2.548 11.078 1.00 0.00 C ATOM 622 OG SER A 46 1.883 -2.577 12.489 1.00 0.00 O ATOM 0 H SER A 46 2.235 -1.385 8.596 1.00 0.00 H new ATOM 0 HA SER A 46 0.137 -1.773 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.891 -3.539 10.665 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.120 -2.305 10.862 1.00 0.00 H new ATOM 0 HG SER A 46 1.676 -1.674 12.809 1.00 0.00 H new ATOM 628 N LYS A 47 1.914 0.719 9.948 1.00 0.00 N ATOM 629 CA LYS A 47 2.256 2.094 10.271 1.00 0.00 C ATOM 630 C LYS A 47 1.944 2.988 9.068 1.00 0.00 C ATOM 631 O LYS A 47 2.118 2.576 7.923 1.00 0.00 O ATOM 632 CB LYS A 47 3.706 2.188 10.748 1.00 0.00 C ATOM 633 CG LYS A 47 4.158 3.647 10.845 1.00 0.00 C ATOM 634 CD LYS A 47 3.548 4.330 12.070 1.00 0.00 C ATOM 635 CE LYS A 47 4.579 5.212 12.777 1.00 0.00 C ATOM 636 NZ LYS A 47 5.737 4.403 13.219 1.00 0.00 N ATOM 0 H LYS A 47 2.031 0.470 8.966 1.00 0.00 H new ATOM 0 HA LYS A 47 1.649 2.453 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.804 1.708 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.355 1.648 10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.246 3.691 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.865 4.183 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.694 4.935 11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.174 3.576 12.762 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.915 6.001 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.120 5.701 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.138 4.816 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.427 3.429 13.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.460 4.395 12.472 1.00 0.00 H new ATOM 650 N ILE A 48 1.489 4.195 9.371 1.00 0.00 N ATOM 651 CA ILE A 48 1.152 5.151 8.330 1.00 0.00 C ATOM 652 C ILE A 48 1.499 6.562 8.807 1.00 0.00 C ATOM 653 O ILE A 48 1.037 6.996 9.861 1.00 0.00 O ATOM 654 CB ILE A 48 -0.308 4.986 7.904 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.493 3.731 7.049 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.818 6.243 7.196 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.920 3.644 6.504 1.00 0.00 C ATOM 0 H ILE A 48 1.346 4.533 10.323 1.00 0.00 H new ATOM 0 HA ILE A 48 1.744 4.964 7.434 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.912 4.854 8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.216 3.743 6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.273 2.845 7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.858 6.099 6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.745 7.096 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.214 6.431 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.024 2.743 5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.625 3.608 7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.129 4.519 5.889 1.00 0.00 H new ATOM 669 N VAL A 49 2.309 7.240 8.008 1.00 0.00 N ATOM 670 CA VAL A 49 2.723 8.594 8.336 1.00 0.00 C ATOM 671 C VAL A 49 1.605 9.569 7.962 1.00 0.00 C ATOM 672 O VAL A 49 1.175 9.615 6.810 1.00 0.00 O ATOM 673 CB VAL A 49 4.051 8.916 7.648 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.526 10.326 8.005 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.116 7.874 7.997 1.00 0.00 C ATOM 0 H VAL A 49 2.690 6.877 7.134 1.00 0.00 H new ATOM 0 HA VAL A 49 2.895 8.692 9.408 1.00 0.00 H new ATOM 0 HB VAL A 49 3.887 8.880 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.472 10.529 7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.781 11.053 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.664 10.401 9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.050 8.126 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.275 7.863 9.075 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.783 6.889 7.669 1.00 0.00 H new ATOM 685 N ASP A 50 1.165 10.325 8.958 1.00 0.00 N ATOM 686 CA ASP A 50 0.105 11.296 8.748 1.00 0.00 C ATOM 687 C ASP A 50 0.527 12.277 7.653 1.00 0.00 C ATOM 688 O ASP A 50 -0.071 12.308 6.578 1.00 0.00 O ATOM 689 CB ASP A 50 -0.167 12.098 10.022 1.00 0.00 C ATOM 690 CG ASP A 50 -1.635 12.156 10.450 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.493 12.091 9.543 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.865 12.264 11.674 1.00 0.00 O ATOM 0 H ASP A 50 1.523 10.284 9.912 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.797 10.754 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.416 11.667 10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.194 13.116 9.876 1.00 0.00 H new ATOM 697 N SER A 51 1.554 13.055 7.963 1.00 0.00 N ATOM 698 CA SER A 51 2.063 14.034 7.018 1.00 0.00 C ATOM 699 C SER A 51 2.450 13.345 5.708 1.00 0.00 C ATOM 700 O SER A 51 2.573 13.997 4.672 1.00 0.00 O ATOM 701 CB SER A 51 3.263 14.786 7.597 1.00 0.00 C ATOM 702 OG SER A 51 3.263 16.161 7.224 1.00 0.00 O ATOM 0 H SER A 51 2.047 13.027 8.855 1.00 0.00 H new ATOM 0 HA SER A 51 1.275 14.760 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.251 14.705 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.185 14.317 7.253 1.00 0.00 H new ATOM 0 HG SER A 51 4.044 16.606 7.615 1.00 0.00 H new ATOM 708 N GLY A 52 2.631 12.036 5.795 1.00 0.00 N ATOM 709 CA GLY A 52 3.002 11.251 4.630 1.00 0.00 C ATOM 710 C GLY A 52 1.981 11.428 3.503 1.00 0.00 C ATOM 711 O GLY A 52 0.807 11.688 3.760 1.00 0.00 O ATOM 0 H GLY A 52 2.528 11.498 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.990 11.554 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.069 10.198 4.903 1.00 0.00 H new ATOM 715 N PRO A 53 2.480 11.276 2.247 1.00 0.00 N ATOM 716 CA PRO A 53 1.625 11.416 1.081 1.00 0.00 C ATOM 717 C PRO A 53 0.726 10.190 0.910 1.00 0.00 C ATOM 718 O PRO A 53 -0.103 10.145 0.002 1.00 0.00 O ATOM 719 CB PRO A 53 2.579 11.620 -0.084 1.00 0.00 C ATOM 720 CG PRO A 53 3.934 11.125 0.395 1.00 0.00 C ATOM 721 CD PRO A 53 3.866 10.968 1.905 1.00 0.00 C ATOM 0 HA PRO A 53 0.934 12.255 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.248 11.064 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.626 12.671 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.182 10.174 -0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.717 11.831 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.134 9.957 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.558 11.646 2.405 1.00 0.00 H new ATOM 729 N ALA A 54 0.921 9.224 1.796 1.00 0.00 N ATOM 730 CA ALA A 54 0.138 8.001 1.755 1.00 0.00 C ATOM 731 C ALA A 54 -1.111 8.170 2.622 1.00 0.00 C ATOM 732 O ALA A 54 -2.156 7.590 2.331 1.00 0.00 O ATOM 733 CB ALA A 54 1.006 6.824 2.205 1.00 0.00 C ATOM 0 H ALA A 54 1.610 9.264 2.547 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.194 7.792 0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.419 5.906 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.863 6.729 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.355 6.998 3.223 1.00 0.00 H new ATOM 739 N ALA A 55 -0.961 8.967 3.669 1.00 0.00 N ATOM 740 CA ALA A 55 -2.065 9.220 4.581 1.00 0.00 C ATOM 741 C ALA A 55 -2.828 10.462 4.118 1.00 0.00 C ATOM 742 O ALA A 55 -4.055 10.504 4.190 1.00 0.00 O ATOM 743 CB ALA A 55 -1.527 9.363 6.006 1.00 0.00 C ATOM 0 H ALA A 55 -0.093 9.446 3.907 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.764 8.384 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.354 9.553 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.019 8.444 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.824 10.195 6.048 1.00 0.00 H new ATOM 749 N LYS A 56 -2.070 11.445 3.653 1.00 0.00 N ATOM 750 CA LYS A 56 -2.660 12.685 3.179 1.00 0.00 C ATOM 751 C LYS A 56 -3.743 12.367 2.146 1.00 0.00 C ATOM 752 O LYS A 56 -4.925 12.304 2.480 1.00 0.00 O ATOM 753 CB LYS A 56 -1.575 13.631 2.661 1.00 0.00 C ATOM 754 CG LYS A 56 -1.176 14.647 3.733 1.00 0.00 C ATOM 755 CD LYS A 56 -1.684 16.046 3.379 1.00 0.00 C ATOM 756 CE LYS A 56 -0.700 17.121 3.845 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.065 17.607 5.195 1.00 0.00 N ATOM 0 H LYS A 56 -1.052 11.407 3.595 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.146 13.214 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.701 13.056 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.936 14.154 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.582 14.342 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.091 14.665 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.828 16.122 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.656 16.212 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.311 16.715 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.700 17.953 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.387 18.336 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.022 18.013 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.042 16.814 5.867 1.00 0.00 H new ATOM 771 N GLU A 57 -3.301 12.176 0.912 1.00 0.00 N ATOM 772 CA GLU A 57 -4.218 11.866 -0.172 1.00 0.00 C ATOM 773 C GLU A 57 -4.171 10.372 -0.496 1.00 0.00 C ATOM 774 O GLU A 57 -5.151 9.806 -0.979 1.00 0.00 O ATOM 775 CB GLU A 57 -3.905 12.707 -1.412 1.00 0.00 C ATOM 776 CG GLU A 57 -4.096 14.197 -1.126 1.00 0.00 C ATOM 777 CD GLU A 57 -5.495 14.660 -1.539 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.648 15.014 -2.728 1.00 0.00 O ATOM 779 OE2 GLU A 57 -6.380 14.649 -0.656 1.00 0.00 O ATOM 0 H GLU A 57 -2.320 12.230 0.638 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.229 12.116 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.879 12.523 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.554 12.405 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.944 14.389 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.344 14.774 -1.665 1.00 0.00 H new ATOM 786 N GLY A 58 -3.021 9.774 -0.219 1.00 0.00 N ATOM 787 CA GLY A 58 -2.833 8.357 -0.475 1.00 0.00 C ATOM 788 C GLY A 58 -4.143 7.588 -0.290 1.00 0.00 C ATOM 789 O GLY A 58 -4.684 7.036 -1.247 1.00 0.00 O ATOM 0 H GLY A 58 -2.210 10.246 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.463 8.213 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.075 7.959 0.200 1.00 0.00 H new ATOM 793 N GLY A 59 -4.615 7.576 0.948 1.00 0.00 N ATOM 794 CA GLY A 59 -5.851 6.884 1.271 1.00 0.00 C ATOM 795 C GLY A 59 -5.574 5.618 2.084 1.00 0.00 C ATOM 796 O GLY A 59 -6.487 5.042 2.673 1.00 0.00 O ATOM 0 H GLY A 59 -4.164 8.035 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.506 7.547 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.377 6.623 0.352 1.00 0.00 H new ATOM 800 N LEU A 60 -4.310 5.221 2.090 1.00 0.00 N ATOM 801 CA LEU A 60 -3.901 4.033 2.820 1.00 0.00 C ATOM 802 C LEU A 60 -4.524 4.060 4.218 1.00 0.00 C ATOM 803 O LEU A 60 -5.098 5.069 4.626 1.00 0.00 O ATOM 804 CB LEU A 60 -2.376 3.908 2.829 1.00 0.00 C ATOM 805 CG LEU A 60 -1.821 2.493 3.001 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.540 1.505 2.081 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.305 2.470 2.794 1.00 0.00 C ATOM 0 H LEU A 60 -3.555 5.701 1.601 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.268 3.135 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.992 4.316 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.985 4.531 3.633 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.011 2.174 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.126 0.507 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.604 1.494 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.404 1.809 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.064 1.452 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.070 2.818 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.172 3.124 3.524 1.00 0.00 H new ATOM 819 N GLN A 61 -4.389 2.940 4.912 1.00 0.00 N ATOM 820 CA GLN A 61 -4.932 2.822 6.255 1.00 0.00 C ATOM 821 C GLN A 61 -4.278 1.651 6.991 1.00 0.00 C ATOM 822 O GLN A 61 -4.271 0.527 6.493 1.00 0.00 O ATOM 823 CB GLN A 61 -6.454 2.667 6.220 1.00 0.00 C ATOM 824 CG GLN A 61 -7.114 3.485 7.331 1.00 0.00 C ATOM 825 CD GLN A 61 -8.347 2.767 7.883 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.402 2.370 9.035 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.330 2.622 6.998 1.00 0.00 N ATOM 0 H GLN A 61 -3.912 2.106 4.570 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.706 3.739 6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.834 2.990 5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.719 1.616 6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.398 3.656 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.401 4.463 6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.218 2.978 6.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.195 2.155 7.269 1.00 0.00 H new ATOM 836 N ILE A 62 -3.744 1.955 8.165 1.00 0.00 N ATOM 837 CA ILE A 62 -3.089 0.942 8.974 1.00 0.00 C ATOM 838 C ILE A 62 -3.918 -0.343 8.943 1.00 0.00 C ATOM 839 O ILE A 62 -5.145 -0.294 8.865 1.00 0.00 O ATOM 840 CB ILE A 62 -2.827 1.471 10.386 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.691 2.496 10.385 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.561 0.322 11.361 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.034 2.588 11.763 1.00 0.00 C ATOM 0 H ILE A 62 -3.752 2.889 8.575 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.109 0.700 8.562 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.724 1.985 10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.945 2.217 9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.079 3.473 10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.378 0.725 12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.428 -0.338 11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.688 -0.240 11.031 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.230 3.323 11.734 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.777 2.891 12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.626 1.615 12.037 1.00 0.00 H new ATOM 855 N HIS A 63 -3.215 -1.465 9.007 1.00 0.00 N ATOM 856 CA HIS A 63 -3.871 -2.761 8.988 1.00 0.00 C ATOM 857 C HIS A 63 -4.496 -3.000 7.611 1.00 0.00 C ATOM 858 O HIS A 63 -5.610 -3.511 7.512 1.00 0.00 O ATOM 859 CB HIS A 63 -4.886 -2.874 10.127 1.00 0.00 C ATOM 860 CG HIS A 63 -4.310 -2.589 11.493 1.00 0.00 C ATOM 861 ND1 HIS A 63 -4.780 -1.818 12.515 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -3.111 -3.126 11.928 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -3.915 -1.881 13.521 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -2.880 -2.691 13.158 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.198 -1.503 9.072 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.135 -3.547 9.156 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.707 -2.182 9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.309 -3.879 10.125 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.472 -3.787 11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.015 -1.374 14.470 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.070 -2.922 13.733 1.00 0.00 H new ATOM 872 N ASP A 64 -3.750 -2.618 6.585 1.00 0.00 N ATOM 873 CA ASP A 64 -4.217 -2.784 5.219 1.00 0.00 C ATOM 874 C ASP A 64 -3.200 -3.616 4.434 1.00 0.00 C ATOM 875 O ASP A 64 -2.019 -3.277 4.388 1.00 0.00 O ATOM 876 CB ASP A 64 -4.362 -1.431 4.518 1.00 0.00 C ATOM 877 CG ASP A 64 -5.709 -0.736 4.727 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.598 -1.387 5.317 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.819 0.430 4.291 1.00 0.00 O ATOM 0 H ASP A 64 -2.826 -2.194 6.672 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.188 -3.279 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.570 -0.770 4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.206 -1.574 3.449 1.00 0.00 H new ATOM 884 N ARG A 65 -3.697 -4.689 3.837 1.00 0.00 N ATOM 885 CA ARG A 65 -2.847 -5.572 3.057 1.00 0.00 C ATOM 886 C ARG A 65 -2.741 -5.071 1.615 1.00 0.00 C ATOM 887 O ARG A 65 -3.749 -4.956 0.919 1.00 0.00 O ATOM 888 CB ARG A 65 -3.392 -7.001 3.054 1.00 0.00 C ATOM 889 CG ARG A 65 -2.302 -8.004 2.672 1.00 0.00 C ATOM 890 CD ARG A 65 -2.908 -9.358 2.296 1.00 0.00 C ATOM 891 NE ARG A 65 -1.872 -10.229 1.699 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.058 -11.522 1.400 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.242 -12.101 1.641 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.060 -12.235 0.861 1.00 0.00 N ATOM 0 H ARG A 65 -4.678 -4.967 3.878 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.859 -5.573 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.786 -7.245 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.222 -7.076 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.723 -7.616 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.611 -8.130 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.330 -9.835 3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.726 -9.216 1.590 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.959 -9.820 1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.001 -11.558 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.384 -13.085 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.159 -11.794 0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.201 -13.219 0.633 1.00 0.00 H new ATOM 908 N ILE A 66 -1.512 -4.786 1.210 1.00 0.00 N ATOM 909 CA ILE A 66 -1.262 -4.300 -0.136 1.00 0.00 C ATOM 910 C ILE A 66 -1.459 -5.444 -1.132 1.00 0.00 C ATOM 911 O ILE A 66 -0.992 -6.559 -0.903 1.00 0.00 O ATOM 912 CB ILE A 66 0.116 -3.642 -0.221 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.463 -2.925 1.086 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.205 -2.707 -1.429 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.541 -1.863 0.859 1.00 0.00 C ATOM 0 H ILE A 66 -0.679 -4.882 1.790 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.978 -3.521 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 66 0.860 -4.426 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.432 -2.458 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.811 -3.650 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.195 -2.253 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.033 -3.276 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.550 -1.926 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.769 -1.368 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.442 -2.337 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.180 -1.126 0.141 1.00 0.00 H new ATOM 927 N ILE A 67 -2.153 -5.130 -2.217 1.00 0.00 N ATOM 928 CA ILE A 67 -2.418 -6.118 -3.248 1.00 0.00 C ATOM 929 C ILE A 67 -1.470 -5.885 -4.427 1.00 0.00 C ATOM 930 O ILE A 67 -0.790 -6.808 -4.873 1.00 0.00 O ATOM 931 CB ILE A 67 -3.897 -6.103 -3.637 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.774 -5.715 -2.444 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.318 -7.443 -4.245 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.759 -6.809 -1.374 1.00 0.00 C ATOM 0 H ILE A 67 -2.540 -4.205 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.221 -7.122 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.040 -5.342 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.418 -4.778 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.797 -5.544 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.374 -7.405 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.724 -7.640 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.156 -8.239 -3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.390 -6.508 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.138 -7.739 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.738 -6.960 -1.023 1.00 0.00 H new ATOM 946 N GLU A 68 -1.456 -4.646 -4.898 1.00 0.00 N ATOM 947 CA GLU A 68 -0.603 -4.281 -6.016 1.00 0.00 C ATOM 948 C GLU A 68 -0.068 -2.859 -5.832 1.00 0.00 C ATOM 949 O GLU A 68 -0.696 -2.036 -5.168 1.00 0.00 O ATOM 950 CB GLU A 68 -1.351 -4.418 -7.343 1.00 0.00 C ATOM 951 CG GLU A 68 -0.545 -5.251 -8.343 1.00 0.00 C ATOM 952 CD GLU A 68 -1.267 -6.559 -8.673 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.206 -7.471 -7.820 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.862 -6.618 -9.770 1.00 0.00 O ATOM 0 H GLU A 68 -2.021 -3.883 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 68 0.244 -4.967 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.320 -4.886 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.544 -3.429 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.388 -4.677 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.440 -5.469 -7.930 1.00 0.00 H new ATOM 961 N VAL A 69 1.088 -2.614 -6.432 1.00 0.00 N ATOM 962 CA VAL A 69 1.715 -1.306 -6.343 1.00 0.00 C ATOM 963 C VAL A 69 2.330 -0.947 -7.697 1.00 0.00 C ATOM 964 O VAL A 69 3.248 -1.620 -8.164 1.00 0.00 O ATOM 965 CB VAL A 69 2.732 -1.290 -5.201 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.141 -1.591 -5.717 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.696 0.044 -4.453 1.00 0.00 C ATOM 0 H VAL A 69 1.607 -3.299 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 69 0.973 -0.542 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 69 2.458 -2.076 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.845 -1.573 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.155 -2.576 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.428 -0.838 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.429 0.029 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.933 0.854 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.701 0.201 -4.037 1.00 0.00 H new ATOM 977 N ASN A 70 1.800 0.112 -8.290 1.00 0.00 N ATOM 978 CA ASN A 70 2.286 0.569 -9.581 1.00 0.00 C ATOM 979 C ASN A 70 2.195 -0.578 -10.590 1.00 0.00 C ATOM 980 O ASN A 70 2.896 -0.577 -11.601 1.00 0.00 O ATOM 981 CB ASN A 70 3.749 1.008 -9.495 1.00 0.00 C ATOM 982 CG ASN A 70 3.979 2.304 -10.276 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.607 3.249 -9.583 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 3.611 2.436 -11.432 1.00 0.00 N flip ATOM 0 H ASN A 70 1.038 0.667 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 70 1.673 1.415 -9.892 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.028 1.154 -8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.392 0.222 -9.890 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.134 1.669 -11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.781 3.313 -11.924 1.00 0.00 H new ATOM 991 N GLY A 71 1.327 -1.529 -10.280 1.00 0.00 N ATOM 992 CA GLY A 71 1.136 -2.680 -11.147 1.00 0.00 C ATOM 993 C GLY A 71 1.973 -3.869 -10.672 1.00 0.00 C ATOM 994 O GLY A 71 1.931 -4.942 -11.272 1.00 0.00 O ATOM 0 H GLY A 71 0.748 -1.527 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.082 -2.956 -11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.414 -2.420 -12.169 1.00 0.00 H new ATOM 998 N ARG A 72 2.714 -3.639 -9.598 1.00 0.00 N ATOM 999 CA ARG A 72 3.559 -4.678 -9.035 1.00 0.00 C ATOM 1000 C ARG A 72 2.837 -5.388 -7.889 1.00 0.00 C ATOM 1001 O ARG A 72 2.387 -4.746 -6.941 1.00 0.00 O ATOM 1002 CB ARG A 72 4.876 -4.096 -8.516 1.00 0.00 C ATOM 1003 CG ARG A 72 6.073 -4.721 -9.236 1.00 0.00 C ATOM 1004 CD ARG A 72 7.148 -5.154 -8.236 1.00 0.00 C ATOM 1005 NE ARG A 72 8.241 -5.859 -8.943 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.124 -5.257 -9.751 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.048 -3.935 -9.960 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.083 -5.976 -10.350 1.00 0.00 N ATOM 0 H ARG A 72 2.747 -2.748 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 72 3.778 -5.393 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.883 -3.016 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.959 -4.274 -7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.743 -5.582 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.494 -4.003 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.544 -4.283 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.712 -5.807 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 72 8.327 -6.866 -8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.318 -3.388 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.720 -3.476 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.141 -6.982 -10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.755 -5.517 -10.965 1.00 0.00 H new ATOM 1022 N ASP A 73 2.748 -6.704 -8.013 1.00 0.00 N ATOM 1023 CA ASP A 73 2.087 -7.508 -6.999 1.00 0.00 C ATOM 1024 C ASP A 73 3.021 -7.676 -5.798 1.00 0.00 C ATOM 1025 O ASP A 73 4.214 -7.923 -5.965 1.00 0.00 O ATOM 1026 CB ASP A 73 1.751 -8.902 -7.533 1.00 0.00 C ATOM 1027 CG ASP A 73 0.744 -9.691 -6.694 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.448 -9.222 -5.574 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.293 -10.746 -7.191 1.00 0.00 O ATOM 0 H ASP A 73 3.123 -7.234 -8.800 1.00 0.00 H new ATOM 0 HA ASP A 73 1.166 -6.999 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.359 -8.802 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.673 -9.479 -7.604 1.00 0.00 H new ATOM 1034 N LEU A 74 2.443 -7.534 -4.615 1.00 0.00 N ATOM 1035 CA LEU A 74 3.208 -7.667 -3.387 1.00 0.00 C ATOM 1036 C LEU A 74 2.397 -8.472 -2.369 1.00 0.00 C ATOM 1037 O LEU A 74 2.728 -8.494 -1.185 1.00 0.00 O ATOM 1038 CB LEU A 74 3.644 -6.292 -2.877 1.00 0.00 C ATOM 1039 CG LEU A 74 4.107 -5.297 -3.942 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.348 -3.914 -3.334 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.340 -5.820 -4.683 1.00 0.00 C ATOM 0 H LEU A 74 1.453 -7.328 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 74 4.129 -8.221 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.811 -5.848 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.455 -6.432 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 74 3.310 -5.190 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.676 -3.226 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.423 -3.545 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.117 -3.984 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.648 -5.093 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.153 -5.975 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.098 -6.765 -5.170 1.00 0.00 H new ATOM 1053 N SER A 75 1.351 -9.113 -2.869 1.00 0.00 N ATOM 1054 CA SER A 75 0.490 -9.917 -2.018 1.00 0.00 C ATOM 1055 C SER A 75 1.274 -11.101 -1.450 1.00 0.00 C ATOM 1056 O SER A 75 1.144 -11.429 -0.272 1.00 0.00 O ATOM 1057 CB SER A 75 -0.737 -10.412 -2.786 1.00 0.00 C ATOM 1058 OG SER A 75 -1.392 -11.484 -2.113 1.00 0.00 O ATOM 0 H SER A 75 1.080 -9.092 -3.852 1.00 0.00 H new ATOM 0 HA SER A 75 0.142 -9.292 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.437 -9.587 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.434 -10.739 -3.781 1.00 0.00 H new ATOM 0 HG SER A 75 -2.171 -11.770 -2.634 1.00 0.00 H new ATOM 1064 N ARG A 76 2.072 -11.711 -2.315 1.00 0.00 N ATOM 1065 CA ARG A 76 2.877 -12.852 -1.914 1.00 0.00 C ATOM 1066 C ARG A 76 4.364 -12.491 -1.949 1.00 0.00 C ATOM 1067 O ARG A 76 5.218 -13.372 -2.035 1.00 0.00 O ATOM 1068 CB ARG A 76 2.629 -14.051 -2.832 1.00 0.00 C ATOM 1069 CG ARG A 76 2.966 -13.709 -4.284 1.00 0.00 C ATOM 1070 CD ARG A 76 3.836 -14.797 -4.917 1.00 0.00 C ATOM 1071 NE ARG A 76 3.248 -15.231 -6.204 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.614 -16.339 -6.861 1.00 0.00 C ATOM 1073 NH1 ARG A 76 4.569 -17.133 -6.357 1.00 0.00 N ATOM 1074 NH2 ARG A 76 3.025 -16.654 -8.023 1.00 0.00 N ATOM 0 H ARG A 76 2.178 -11.436 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 76 2.588 -13.121 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.234 -14.896 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.586 -14.359 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.046 -13.595 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.487 -12.753 -4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.845 -14.419 -5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.919 -15.648 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 76 2.518 -14.650 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.017 -16.893 -5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.847 -17.977 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.298 -16.050 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.304 -17.498 -8.524 1.00 0.00 H new ATOM 1088 N ALA A 77 4.627 -11.194 -1.881 1.00 0.00 N ATOM 1089 CA ALA A 77 5.995 -10.706 -1.904 1.00 0.00 C ATOM 1090 C ALA A 77 6.484 -10.503 -0.468 1.00 0.00 C ATOM 1091 O ALA A 77 5.689 -10.521 0.470 1.00 0.00 O ATOM 1092 CB ALA A 77 6.065 -9.421 -2.731 1.00 0.00 C ATOM 0 H ALA A 77 3.916 -10.466 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 77 6.654 -11.434 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.092 -9.055 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.736 -9.626 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.418 -8.666 -2.285 1.00 0.00 H new ATOM 1098 N THR A 78 7.789 -10.316 -0.342 1.00 0.00 N ATOM 1099 CA THR A 78 8.393 -10.110 0.963 1.00 0.00 C ATOM 1100 C THR A 78 8.646 -8.621 1.205 1.00 0.00 C ATOM 1101 O THR A 78 8.589 -7.819 0.274 1.00 0.00 O ATOM 1102 CB THR A 78 9.663 -10.961 1.036 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.168 -10.719 2.346 1.00 0.00 O ATOM 1104 CG2 THR A 78 10.767 -10.448 0.110 1.00 0.00 C ATOM 0 H THR A 78 8.445 -10.303 -1.123 1.00 0.00 H new ATOM 0 HA THR A 78 7.724 -10.428 1.763 1.00 0.00 H new ATOM 0 HB THR A 78 9.423 -11.992 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.991 -11.234 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.645 -11.088 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.413 -10.462 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.031 -9.428 0.389 1.00 0.00 H new ATOM 1112 N HIS A 79 8.920 -8.296 2.460 1.00 0.00 N ATOM 1113 CA HIS A 79 9.181 -6.917 2.836 1.00 0.00 C ATOM 1114 C HIS A 79 10.234 -6.321 1.900 1.00 0.00 C ATOM 1115 O HIS A 79 10.129 -5.163 1.499 1.00 0.00 O ATOM 1116 CB HIS A 79 9.576 -6.822 4.311 1.00 0.00 C ATOM 1117 CG HIS A 79 9.752 -5.408 4.810 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.832 -4.477 5.194 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.994 -4.813 4.955 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.476 -3.374 5.556 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.817 -3.580 5.408 1.00 0.00 N flip ATOM 0 H HIS A 79 8.967 -8.964 3.229 1.00 0.00 H new ATOM 0 HA HIS A 79 8.271 -6.327 2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.814 -7.317 4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.507 -7.369 4.463 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.945 -5.275 4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.015 -2.464 5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.554 -2.904 5.610 1.00 0.00 H new ATOM 1129 N ASP A 80 11.226 -7.139 1.579 1.00 0.00 N ATOM 1130 CA ASP A 80 12.297 -6.707 0.698 1.00 0.00 C ATOM 1131 C ASP A 80 11.712 -6.339 -0.667 1.00 0.00 C ATOM 1132 O ASP A 80 11.962 -5.250 -1.181 1.00 0.00 O ATOM 1133 CB ASP A 80 13.322 -7.823 0.488 1.00 0.00 C ATOM 1134 CG ASP A 80 14.734 -7.506 0.982 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.831 -6.774 1.990 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.685 -8.004 0.341 1.00 0.00 O ATOM 0 H ASP A 80 11.310 -8.099 1.914 1.00 0.00 H new ATOM 0 HA ASP A 80 12.787 -5.850 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.969 -8.720 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.369 -8.057 -0.576 1.00 0.00 H new ATOM 1141 N GLN A 81 10.943 -7.269 -1.215 1.00 0.00 N ATOM 1142 CA GLN A 81 10.320 -7.056 -2.511 1.00 0.00 C ATOM 1143 C GLN A 81 9.373 -5.856 -2.454 1.00 0.00 C ATOM 1144 O GLN A 81 9.419 -4.982 -3.319 1.00 0.00 O ATOM 1145 CB GLN A 81 9.585 -8.313 -2.978 1.00 0.00 C ATOM 1146 CG GLN A 81 10.551 -9.302 -3.633 1.00 0.00 C ATOM 1147 CD GLN A 81 9.906 -9.978 -4.845 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.889 -9.451 -5.945 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.379 -11.171 -4.583 1.00 0.00 N ATOM 0 H GLN A 81 10.737 -8.171 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 81 11.103 -6.841 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.093 -8.788 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.803 -8.039 -3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.457 -8.780 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.851 -10.058 -2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.428 -11.554 -3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.926 -11.703 -5.326 1.00 0.00 H new ATOM 1158 N ALA A 82 8.537 -5.851 -1.426 1.00 0.00 N ATOM 1159 CA ALA A 82 7.580 -4.772 -1.245 1.00 0.00 C ATOM 1160 C ALA A 82 8.322 -3.434 -1.241 1.00 0.00 C ATOM 1161 O ALA A 82 8.017 -2.548 -2.037 1.00 0.00 O ATOM 1162 CB ALA A 82 6.787 -5.003 0.043 1.00 0.00 C ATOM 0 H ALA A 82 8.502 -6.577 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 82 6.865 -4.751 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.069 -4.194 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.255 -5.952 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.471 -5.028 0.892 1.00 0.00 H new ATOM 1168 N VAL A 83 9.283 -3.329 -0.334 1.00 0.00 N ATOM 1169 CA VAL A 83 10.070 -2.114 -0.215 1.00 0.00 C ATOM 1170 C VAL A 83 10.634 -1.741 -1.588 1.00 0.00 C ATOM 1171 O VAL A 83 10.453 -0.617 -2.053 1.00 0.00 O ATOM 1172 CB VAL A 83 11.156 -2.296 0.848 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.174 -1.155 0.792 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.541 -2.415 2.244 1.00 0.00 C ATOM 0 H VAL A 83 9.534 -4.066 0.325 1.00 0.00 H new ATOM 0 HA VAL A 83 9.445 -1.285 0.117 1.00 0.00 H new ATOM 0 HB VAL A 83 11.683 -3.226 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.935 -1.308 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.646 -1.136 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.667 -0.206 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.334 -2.544 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.977 -1.510 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.873 -3.276 2.275 1.00 0.00 H new ATOM 1184 N GLU A 84 11.307 -2.706 -2.198 1.00 0.00 N ATOM 1185 CA GLU A 84 11.899 -2.492 -3.507 1.00 0.00 C ATOM 1186 C GLU A 84 10.856 -1.932 -4.476 1.00 0.00 C ATOM 1187 O GLU A 84 11.113 -0.950 -5.171 1.00 0.00 O ATOM 1188 CB GLU A 84 12.512 -3.785 -4.049 1.00 0.00 C ATOM 1189 CG GLU A 84 13.778 -3.495 -4.858 1.00 0.00 C ATOM 1190 CD GLU A 84 15.020 -3.533 -3.964 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.043 -2.751 -2.990 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.918 -4.345 -4.276 1.00 0.00 O ATOM 0 H GLU A 84 11.455 -3.637 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 84 12.702 -1.762 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.750 -4.453 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.785 -4.301 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.879 -4.228 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.696 -2.516 -5.331 1.00 0.00 H new ATOM 1199 N ALA A 85 9.701 -2.580 -4.492 1.00 0.00 N ATOM 1200 CA ALA A 85 8.617 -2.159 -5.364 1.00 0.00 C ATOM 1201 C ALA A 85 8.321 -0.678 -5.123 1.00 0.00 C ATOM 1202 O ALA A 85 8.285 0.113 -6.065 1.00 0.00 O ATOM 1203 CB ALA A 85 7.394 -3.045 -5.122 1.00 0.00 C ATOM 0 H ALA A 85 9.492 -3.394 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 85 8.900 -2.273 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.581 -2.729 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.649 -4.083 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.079 -2.955 -4.082 1.00 0.00 H new ATOM 1209 N PHE A 86 8.117 -0.346 -3.857 1.00 0.00 N ATOM 1210 CA PHE A 86 7.825 1.027 -3.480 1.00 0.00 C ATOM 1211 C PHE A 86 9.039 1.929 -3.712 1.00 0.00 C ATOM 1212 O PHE A 86 8.892 3.133 -3.914 1.00 0.00 O ATOM 1213 CB PHE A 86 7.487 1.019 -1.988 1.00 0.00 C ATOM 1214 CG PHE A 86 6.034 0.653 -1.680 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.044 1.560 -1.898 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.732 -0.578 -1.189 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.695 1.221 -1.613 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.383 -0.918 -0.904 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.393 -0.011 -1.121 1.00 0.00 C ATOM 0 H PHE A 86 8.148 -1.004 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 86 7.001 1.411 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.144 0.312 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.698 2.005 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.284 2.538 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.518 -1.298 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.909 1.941 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.143 -1.897 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.367 -0.269 -0.903 1.00 0.00 H new ATOM 1229 N LYS A 87 10.210 1.311 -3.674 1.00 0.00 N ATOM 1230 CA LYS A 87 11.449 2.043 -3.878 1.00 0.00 C ATOM 1231 C LYS A 87 11.618 2.346 -5.368 1.00 0.00 C ATOM 1232 O LYS A 87 11.961 3.467 -5.742 1.00 0.00 O ATOM 1233 CB LYS A 87 12.628 1.282 -3.267 1.00 0.00 C ATOM 1234 CG LYS A 87 13.959 1.813 -3.802 1.00 0.00 C ATOM 1235 CD LYS A 87 15.135 1.252 -2.999 1.00 0.00 C ATOM 1236 CE LYS A 87 15.346 2.046 -1.708 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.207 3.223 -1.958 1.00 0.00 N ATOM 0 H LYS A 87 10.327 0.312 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 87 11.415 3.001 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.604 1.378 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.538 0.220 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.068 1.541 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.967 2.902 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.950 0.205 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.042 1.286 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.384 2.370 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.803 1.408 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.340 3.750 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.131 2.907 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.756 3.840 -2.663 1.00 0.00 H new ATOM 1251 N THR A 88 11.370 1.328 -6.178 1.00 0.00 N ATOM 1252 CA THR A 88 11.491 1.471 -7.619 1.00 0.00 C ATOM 1253 C THR A 88 10.187 2.008 -8.213 1.00 0.00 C ATOM 1254 O THR A 88 10.136 2.362 -9.390 1.00 0.00 O ATOM 1255 CB THR A 88 11.909 0.117 -8.196 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.874 -0.771 -7.782 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.168 -0.440 -7.528 1.00 0.00 C ATOM 0 H THR A 88 11.086 0.400 -5.864 1.00 0.00 H new ATOM 0 HA THR A 88 12.256 2.202 -7.881 1.00 0.00 H new ATOM 0 HB THR A 88 12.080 0.216 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.118 -1.182 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.421 -1.402 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.995 0.256 -7.672 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.986 -0.571 -6.461 1.00 0.00 H new ATOM 1265 N ALA A 89 9.165 2.052 -7.371 1.00 0.00 N ATOM 1266 CA ALA A 89 7.864 2.539 -7.798 1.00 0.00 C ATOM 1267 C ALA A 89 7.996 3.992 -8.259 1.00 0.00 C ATOM 1268 O ALA A 89 8.755 4.766 -7.678 1.00 0.00 O ATOM 1269 CB ALA A 89 6.859 2.379 -6.656 1.00 0.00 C ATOM 0 H ALA A 89 9.211 1.758 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 89 7.494 1.957 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.883 2.744 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.781 1.326 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.195 2.952 -5.792 1.00 0.00 H new ATOM 1275 N LYS A 90 7.243 4.319 -9.300 1.00 0.00 N ATOM 1276 CA LYS A 90 7.266 5.665 -9.846 1.00 0.00 C ATOM 1277 C LYS A 90 5.942 6.363 -9.528 1.00 0.00 C ATOM 1278 O LYS A 90 4.915 5.707 -9.364 1.00 0.00 O ATOM 1279 CB LYS A 90 7.600 5.632 -11.339 1.00 0.00 C ATOM 1280 CG LYS A 90 9.093 5.872 -11.573 1.00 0.00 C ATOM 1281 CD LYS A 90 9.483 7.305 -11.202 1.00 0.00 C ATOM 1282 CE LYS A 90 9.912 8.094 -12.441 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.343 9.458 -12.063 1.00 0.00 N ATOM 0 H LYS A 90 6.614 3.675 -9.779 1.00 0.00 H new ATOM 0 HA LYS A 90 8.057 6.252 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.313 4.668 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.020 6.392 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.676 5.168 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.336 5.685 -12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.640 7.803 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.297 7.288 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.727 7.575 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.084 8.151 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.631 9.980 -12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.555 9.956 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.147 9.398 -11.406 1.00 0.00 H new ATOM 1297 N GLU A 91 6.010 7.684 -9.448 1.00 0.00 N ATOM 1298 CA GLU A 91 4.830 8.477 -9.152 1.00 0.00 C ATOM 1299 C GLU A 91 4.139 8.905 -10.448 1.00 0.00 C ATOM 1300 O GLU A 91 4.802 9.260 -11.422 1.00 0.00 O ATOM 1301 CB GLU A 91 5.187 9.693 -8.294 1.00 0.00 C ATOM 1302 CG GLU A 91 6.212 9.323 -7.220 1.00 0.00 C ATOM 1303 CD GLU A 91 7.630 9.684 -7.667 1.00 0.00 C ATOM 1304 OE1 GLU A 91 8.239 8.839 -8.358 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.073 10.796 -7.308 1.00 0.00 O ATOM 0 H GLU A 91 6.864 8.225 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 91 4.137 7.861 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.588 10.485 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.287 10.087 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.976 9.844 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.154 8.255 -7.010 1.00 0.00 H new ATOM 1312 N PRO A 92 2.780 8.857 -10.418 1.00 0.00 N ATOM 1313 CA PRO A 92 2.073 8.425 -9.225 1.00 0.00 C ATOM 1314 C PRO A 92 2.165 6.908 -9.051 1.00 0.00 C ATOM 1315 O PRO A 92 2.278 6.173 -10.031 1.00 0.00 O ATOM 1316 CB PRO A 92 0.646 8.916 -9.414 1.00 0.00 C ATOM 1317 CG PRO A 92 0.494 9.193 -10.900 1.00 0.00 C ATOM 1318 CD PRO A 92 1.884 9.210 -11.516 1.00 0.00 C ATOM 0 HA PRO A 92 2.503 8.833 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.072 8.167 -9.081 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.462 9.816 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.122 8.427 -11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.007 10.148 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.962 8.496 -12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.125 10.192 -11.924 1.00 0.00 H new ATOM 1326 N ILE A 93 2.113 6.484 -7.797 1.00 0.00 N ATOM 1327 CA ILE A 93 2.189 5.067 -7.483 1.00 0.00 C ATOM 1328 C ILE A 93 0.787 4.544 -7.164 1.00 0.00 C ATOM 1329 O ILE A 93 0.209 4.891 -6.135 1.00 0.00 O ATOM 1330 CB ILE A 93 3.206 4.820 -6.366 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.549 5.476 -6.693 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.352 3.325 -6.079 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.322 5.809 -5.415 1.00 0.00 C ATOM 0 H ILE A 93 2.019 7.096 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 93 2.552 4.505 -8.344 1.00 0.00 H new ATOM 0 HB ILE A 93 2.834 5.287 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.142 4.807 -7.317 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.383 6.386 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.080 3.177 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.389 2.918 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.691 2.813 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.273 6.274 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.737 6.497 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.508 4.894 -4.853 1.00 0.00 H new ATOM 1345 N VAL A 94 0.280 3.717 -8.067 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.043 3.142 -7.895 1.00 0.00 C ATOM 1347 C VAL A 94 -0.945 1.904 -7.002 1.00 0.00 C ATOM 1348 O VAL A 94 -0.376 0.889 -7.401 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.666 2.845 -9.261 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.078 2.275 -9.108 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.672 4.094 -10.144 1.00 0.00 C ATOM 0 H VAL A 94 0.762 3.432 -8.920 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.705 3.850 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.052 2.090 -9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.498 2.073 -10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.036 1.349 -8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.707 2.997 -8.587 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.120 3.855 -11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.252 4.880 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.649 4.438 -10.294 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.508 2.029 -5.808 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.490 0.933 -4.855 1.00 0.00 C ATOM 1363 C VAL A 95 -2.926 0.486 -4.571 1.00 0.00 C ATOM 1364 O VAL A 95 -3.858 1.283 -4.667 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.734 1.349 -3.592 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.053 0.173 -3.011 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.186 2.540 -3.872 1.00 0.00 C ATOM 0 H VAL A 95 -1.979 2.872 -5.480 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.958 0.077 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.468 1.660 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.581 0.496 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.634 -0.634 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.773 -0.182 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.712 2.816 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.910 2.268 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.409 3.386 -4.218 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.059 -0.786 -4.228 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.366 -1.348 -3.930 1.00 0.00 C ATOM 1379 C GLN A 96 -4.309 -2.170 -2.641 1.00 0.00 C ATOM 1380 O GLN A 96 -3.352 -2.910 -2.414 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.878 -2.194 -5.097 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.076 -3.046 -4.673 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.195 -2.975 -5.714 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.271 -2.307 -5.308 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -7.089 -3.494 -6.814 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.284 -1.444 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.068 -0.527 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.164 -1.544 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.079 -2.840 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.762 -4.081 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.449 -2.701 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.235 -3.993 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.855 -3.429 -7.485 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.345 -2.013 -1.830 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.425 -2.732 -0.570 1.00 0.00 C ATOM 1396 C VAL A 97 -6.754 -3.486 -0.501 1.00 0.00 C ATOM 1397 O VAL A 97 -7.665 -3.219 -1.284 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.225 -1.764 0.598 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.767 -1.310 0.691 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.166 -0.563 0.482 1.00 0.00 C ATOM 0 H VAL A 97 -6.136 -1.398 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.628 -3.472 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.470 -2.295 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.653 -0.623 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.125 -2.178 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.483 -0.806 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.003 0.109 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.966 -0.033 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.200 -0.909 0.488 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.824 -4.412 0.444 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.027 -5.206 0.626 1.00 0.00 C ATOM 1412 C LEU A 98 -8.689 -4.826 1.951 1.00 0.00 C ATOM 1413 O LEU A 98 -8.104 -5.011 3.017 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.708 -6.698 0.504 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.745 -7.278 -0.912 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.126 -8.676 -0.947 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.169 -7.268 -1.471 1.00 0.00 C ATOM 0 H LEU A 98 -6.067 -4.630 1.092 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.747 -4.991 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.716 -6.873 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.415 -7.252 1.121 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.141 -6.641 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.165 -9.066 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.088 -8.623 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.683 -9.337 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.168 -7.685 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.815 -7.868 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.540 -6.244 -1.503 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.901 -4.301 1.842 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.649 -3.892 3.019 1.00 0.00 C ATOM 1431 C ARG A 99 -11.940 -4.704 3.135 1.00 0.00 C ATOM 1432 O ARG A 99 -12.633 -4.921 2.142 1.00 0.00 O ATOM 1433 CB ARG A 99 -10.994 -2.403 2.962 1.00 0.00 C ATOM 1434 CG ARG A 99 -9.771 -1.544 3.287 1.00 0.00 C ATOM 1435 CD ARG A 99 -10.176 -0.274 4.038 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.430 0.888 3.507 1.00 0.00 N ATOM 1437 CZ ARG A 99 -9.811 2.163 3.668 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -10.932 2.447 4.346 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -9.072 3.154 3.151 1.00 0.00 N ATOM 0 H ARG A 99 -10.384 -4.149 0.956 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.021 -4.074 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.367 -2.150 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.795 -2.184 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.068 -2.119 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.255 -1.276 2.365 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.248 -0.107 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.973 -0.391 5.103 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.572 0.708 2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.495 1.693 4.739 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.222 3.417 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.219 2.938 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.362 4.124 3.274 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.225 -5.132 4.357 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.421 -5.915 4.616 1.00 0.00 C ATOM 1455 C ARG A 100 -14.593 -5.383 3.789 1.00 0.00 C ATOM 1456 O ARG A 100 -14.659 -4.191 3.494 1.00 0.00 O ATOM 1457 CB ARG A 100 -13.793 -5.878 6.099 1.00 0.00 C ATOM 1458 CG ARG A 100 -12.607 -6.289 6.973 1.00 0.00 C ATOM 1459 CD ARG A 100 -12.113 -5.111 7.816 1.00 0.00 C ATOM 1460 NE ARG A 100 -11.189 -4.272 7.021 1.00 0.00 N ATOM 1461 CZ ARG A 100 -9.916 -4.597 6.758 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -9.408 -5.746 7.225 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -9.151 -3.774 6.027 1.00 0.00 N ATOM 0 H ARG A 100 -11.648 -4.951 5.178 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.210 -6.946 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.119 -4.874 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.634 -6.547 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.900 -7.111 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.796 -6.656 6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.960 -4.514 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.607 -5.479 8.708 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.544 -3.391 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.990 -6.373 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.439 -5.994 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.538 -2.900 5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.182 -4.022 5.827 1.00 0.00 H new ATOM 1477 N THR A 101 -15.490 -6.293 3.438 1.00 0.00 N ATOM 1478 CA THR A 101 -16.656 -5.931 2.651 1.00 0.00 C ATOM 1479 C THR A 101 -17.407 -4.773 3.313 1.00 0.00 C ATOM 1480 O THR A 101 -17.719 -3.778 2.660 1.00 0.00 O ATOM 1481 CB THR A 101 -17.513 -7.185 2.470 1.00 0.00 C ATOM 1482 OG1 THR A 101 -18.596 -6.751 1.651 1.00 0.00 O ATOM 1483 CG2 THR A 101 -18.184 -7.629 3.771 1.00 0.00 C ATOM 0 H THR A 101 -15.432 -7.281 3.685 1.00 0.00 H new ATOM 0 HA THR A 101 -16.370 -5.570 1.663 1.00 0.00 H new ATOM 0 HB THR A 101 -16.893 -7.995 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.201 -7.504 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.780 -8.523 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.421 -7.849 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 101 -18.830 -6.831 4.138 1.00 0.00 H new ATOM 1491 N SER A 102 -17.674 -4.941 4.599 1.00 0.00 N ATOM 1492 CA SER A 102 -18.382 -3.923 5.356 1.00 0.00 C ATOM 1493 C SER A 102 -19.872 -3.955 5.010 1.00 0.00 C ATOM 1494 O SER A 102 -20.259 -3.643 3.885 1.00 0.00 O ATOM 1495 CB SER A 102 -17.804 -2.533 5.083 1.00 0.00 C ATOM 1496 OG SER A 102 -17.857 -1.697 6.237 1.00 0.00 O ATOM 0 H SER A 102 -17.413 -5.767 5.137 1.00 0.00 H new ATOM 0 HA SER A 102 -18.257 -4.137 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.770 -2.629 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.357 -2.064 4.269 1.00 0.00 H new ATOM 0 HG SER A 102 -17.477 -0.819 6.023 1.00 0.00 H new ATOM 1502 N GLY A 103 -20.668 -4.335 5.999 1.00 0.00 N ATOM 1503 CA GLY A 103 -22.108 -4.412 5.813 1.00 0.00 C ATOM 1504 C GLY A 103 -22.848 -3.964 7.075 1.00 0.00 C ATOM 1505 O GLY A 103 -22.231 -3.478 8.021 1.00 0.00 O ATOM 0 H GLY A 103 -20.344 -4.593 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.404 -3.785 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.392 -5.434 5.564 1.00 0.00 H new ATOM 1509 N PRO A 104 -24.195 -4.149 7.047 1.00 0.00 N ATOM 1510 CA PRO A 104 -25.026 -3.769 8.177 1.00 0.00 C ATOM 1511 C PRO A 104 -24.878 -4.768 9.326 1.00 0.00 C ATOM 1512 O PRO A 104 -24.627 -5.950 9.097 1.00 0.00 O ATOM 1513 CB PRO A 104 -26.440 -3.707 7.622 1.00 0.00 C ATOM 1514 CG PRO A 104 -26.414 -4.500 6.326 1.00 0.00 C ATOM 1515 CD PRO A 104 -24.960 -4.721 5.943 1.00 0.00 C ATOM 0 HA PRO A 104 -24.739 -2.809 8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -27.155 -4.133 8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -26.744 -2.676 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -26.925 -5.455 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -26.938 -3.960 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.741 -5.781 5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -24.720 -4.231 4.999 1.00 0.00 H new ATOM 1523 N SER A 105 -25.041 -4.256 10.537 1.00 0.00 N ATOM 1524 CA SER A 105 -24.929 -5.089 11.723 1.00 0.00 C ATOM 1525 C SER A 105 -25.157 -4.245 12.978 1.00 0.00 C ATOM 1526 O SER A 105 -24.918 -3.038 12.972 1.00 0.00 O ATOM 1527 CB SER A 105 -23.563 -5.776 11.786 1.00 0.00 C ATOM 1528 OG SER A 105 -23.646 -7.160 11.459 1.00 0.00 O ATOM 0 H SER A 105 -25.250 -3.275 10.723 1.00 0.00 H new ATOM 0 HA SER A 105 -25.693 -5.864 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 105 -22.877 -5.282 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 105 -23.147 -5.664 12.787 1.00 0.00 H new ATOM 0 HG SER A 105 -24.005 -7.261 10.553 1.00 0.00 H new ATOM 1534 N SER A 106 -25.617 -4.913 14.026 1.00 0.00 N ATOM 1535 CA SER A 106 -25.880 -4.239 15.286 1.00 0.00 C ATOM 1536 C SER A 106 -26.951 -3.163 15.091 1.00 0.00 C ATOM 1537 O SER A 106 -27.241 -2.769 13.963 1.00 0.00 O ATOM 1538 CB SER A 106 -24.603 -3.619 15.857 1.00 0.00 C ATOM 1539 OG SER A 106 -24.291 -4.133 17.149 1.00 0.00 O ATOM 0 H SER A 106 -25.814 -5.914 14.028 1.00 0.00 H new ATOM 0 HA SER A 106 -26.243 -4.979 16.000 1.00 0.00 H new ATOM 0 HB2 SER A 106 -23.772 -3.813 15.179 1.00 0.00 H new ATOM 0 HB3 SER A 106 -24.720 -2.537 15.916 1.00 0.00 H new ATOM 0 HG SER A 106 -23.469 -3.714 17.478 1.00 0.00 H new ATOM 1545 N GLY A 107 -27.508 -2.719 16.208 1.00 0.00 N ATOM 1546 CA GLY A 107 -28.540 -1.697 16.174 1.00 0.00 C ATOM 1547 C GLY A 107 -29.901 -2.303 15.825 1.00 0.00 C ATOM 1548 O GLY A 107 -30.784 -2.388 16.678 1.00 0.00 O ATOM 0 H GLY A 107 -27.264 -3.048 17.142 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -28.597 -1.200 17.143 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -28.278 -0.935 15.440 1.00 0.00 H new TER 1552 GLY A 107