USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 37:sc= 0.665 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.16 K(o=-1.2,f=-12!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -70:sc= -0.313 USER MOD Single : A 24 GLN : amide:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 25 THR OG1 : rot -41:sc= 1.34 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0.515 (180deg=-0.00211) USER MOD Single : A 51 GLN : amide:sc= -0.0167 K(o=-0.017,f=-3.1!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.45 K(o=-2.4,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0325) USER MOD Single : A 79 SER OG : rot 74:sc= 0.523 USER MOD Single : A 80 SER OG : rot 39:sc= 0.914 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 92 HIS : no HD1:sc= -2.2 X(o=-2.2,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= -0.247 (180deg=-2.5!) USER MOD Single : A 97 ASN : amide:sc= -0.085 X(o=-0.085,f=-0.54) USER MOD Single : A 98 LYS NZ :NH3+ -137:sc= -0.227 (180deg=-0.635) USER MOD Single : A 99 MET CE :methyl 153:sc= -0.134 (180deg=-0.422) USER MOD Single : A 103 ASN : amide:sc= -4.74! K(o=-4.7!,f=-1.3) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 154:sc= 0.239 USER MOD Single : A 113 ASN : amide:sc= -0.556 X(o=-0.56,f=-1) USER MOD Single : A 114 THR OG1 : rot 26:sc= 0.17 USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -0.0233 (180deg=-0.215) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 1:sc= 0.679! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.986 -18.761 -0.511 1.00 0.00 N ATOM 2 CA GLY A 1 5.457 -17.461 -0.954 1.00 0.00 C ATOM 3 C GLY A 1 4.845 -16.322 -0.164 1.00 0.00 C ATOM 4 O GLY A 1 5.349 -15.952 0.896 1.00 0.00 O ATOM 0 H1 GLY A 1 5.434 -19.506 -1.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.233 -18.897 0.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.953 -18.813 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.542 -17.421 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.222 -17.334 -2.011 1.00 0.00 H new ATOM 8 N SER A 2 3.755 -15.764 -0.680 1.00 0.00 N ATOM 9 CA SER A 2 3.076 -14.656 -0.018 1.00 0.00 C ATOM 10 C SER A 2 1.570 -14.895 0.033 1.00 0.00 C ATOM 11 O SER A 2 0.972 -14.934 1.108 1.00 0.00 O ATOM 12 CB SER A 2 3.372 -13.342 -0.743 1.00 0.00 C ATOM 13 OG SER A 2 3.113 -12.228 0.094 1.00 0.00 O ATOM 0 H SER A 2 3.323 -16.061 -1.555 1.00 0.00 H new ATOM 0 HA SER A 2 3.451 -14.590 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.414 -13.326 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.761 -13.274 -1.643 1.00 0.00 H new ATOM 0 HG SER A 2 3.312 -11.400 -0.392 1.00 0.00 H new ATOM 19 N SER A 3 0.962 -15.053 -1.139 1.00 0.00 N ATOM 20 CA SER A 3 -0.475 -15.283 -1.230 1.00 0.00 C ATOM 21 C SER A 3 -0.812 -16.739 -0.921 1.00 0.00 C ATOM 22 O SER A 3 -0.862 -17.580 -1.817 1.00 0.00 O ATOM 23 CB SER A 3 -0.984 -14.915 -2.625 1.00 0.00 C ATOM 24 OG SER A 3 -2.390 -15.068 -2.711 1.00 0.00 O ATOM 0 H SER A 3 1.442 -15.026 -2.038 1.00 0.00 H new ATOM 0 HA SER A 3 -0.967 -14.649 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.712 -13.885 -2.855 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.500 -15.546 -3.370 1.00 0.00 H new ATOM 0 HG SER A 3 -2.691 -14.825 -3.611 1.00 0.00 H new ATOM 30 N GLY A 4 -1.043 -17.028 0.357 1.00 0.00 N ATOM 31 CA GLY A 4 -1.372 -18.381 0.763 1.00 0.00 C ATOM 32 C GLY A 4 -0.911 -18.692 2.173 1.00 0.00 C ATOM 33 O GLY A 4 -1.713 -19.071 3.027 1.00 0.00 O ATOM 0 H GLY A 4 -1.008 -16.349 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.450 -18.525 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.913 -19.087 0.070 1.00 0.00 H new ATOM 37 N SER A 5 0.385 -18.532 2.419 1.00 0.00 N ATOM 38 CA SER A 5 0.953 -18.803 3.735 1.00 0.00 C ATOM 39 C SER A 5 0.828 -17.583 4.642 1.00 0.00 C ATOM 40 O SER A 5 0.455 -17.700 5.809 1.00 0.00 O ATOM 41 CB SER A 5 2.423 -19.209 3.605 1.00 0.00 C ATOM 42 OG SER A 5 2.974 -19.536 4.869 1.00 0.00 O ATOM 0 H SER A 5 1.062 -18.216 1.725 1.00 0.00 H new ATOM 0 HA SER A 5 0.395 -19.625 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.510 -20.064 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.991 -18.394 3.157 1.00 0.00 H new ATOM 0 HG SER A 5 3.913 -19.794 4.760 1.00 0.00 H new ATOM 48 N SER A 6 1.143 -16.413 4.097 1.00 0.00 N ATOM 49 CA SER A 6 1.071 -15.171 4.857 1.00 0.00 C ATOM 50 C SER A 6 -0.082 -14.300 4.366 1.00 0.00 C ATOM 51 O SER A 6 0.084 -13.480 3.465 1.00 0.00 O ATOM 52 CB SER A 6 2.388 -14.402 4.745 1.00 0.00 C ATOM 53 OG SER A 6 2.723 -14.158 3.390 1.00 0.00 O ATOM 0 H SER A 6 1.451 -16.299 3.131 1.00 0.00 H new ATOM 0 HA SER A 6 0.894 -15.424 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.306 -13.455 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.186 -14.970 5.224 1.00 0.00 H new ATOM 0 HG SER A 6 1.907 -13.973 2.880 1.00 0.00 H new ATOM 59 N GLY A 7 -1.254 -14.486 4.968 1.00 0.00 N ATOM 60 CA GLY A 7 -2.418 -13.711 4.580 1.00 0.00 C ATOM 61 C GLY A 7 -3.568 -13.866 5.555 1.00 0.00 C ATOM 62 O GLY A 7 -4.525 -14.594 5.288 1.00 0.00 O ATOM 0 H GLY A 7 -1.417 -15.159 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.143 -12.658 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.743 -14.021 3.587 1.00 0.00 H new ATOM 66 N LYS A 8 -3.476 -13.181 6.689 1.00 0.00 N ATOM 67 CA LYS A 8 -4.517 -13.245 7.709 1.00 0.00 C ATOM 68 C LYS A 8 -4.992 -11.846 8.089 1.00 0.00 C ATOM 69 O LYS A 8 -4.225 -10.883 8.093 1.00 0.00 O ATOM 70 CB LYS A 8 -3.999 -13.974 8.950 1.00 0.00 C ATOM 71 CG LYS A 8 -3.059 -13.137 9.800 1.00 0.00 C ATOM 72 CD LYS A 8 -3.002 -13.643 11.232 1.00 0.00 C ATOM 73 CE LYS A 8 -2.190 -14.924 11.338 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.727 -14.651 11.403 1.00 0.00 N ATOM 0 H LYS A 8 -2.691 -12.574 6.926 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.362 -13.797 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.848 -14.284 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.482 -14.882 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.059 -13.157 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.389 -12.098 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.562 -12.878 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.014 -13.821 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.496 -15.475 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.403 -15.561 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.209 -15.550 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.429 -14.147 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.520 -14.065 12.237 1.00 0.00 H new ATOM 88 N PRO A 9 -6.287 -11.730 8.419 1.00 0.00 N ATOM 89 CA PRO A 9 -6.893 -10.453 8.809 1.00 0.00 C ATOM 90 C PRO A 9 -6.402 -9.971 10.170 1.00 0.00 C ATOM 91 O PRO A 9 -5.763 -10.717 10.910 1.00 0.00 O ATOM 92 CB PRO A 9 -8.389 -10.772 8.862 1.00 0.00 C ATOM 93 CG PRO A 9 -8.455 -12.237 9.125 1.00 0.00 C ATOM 94 CD PRO A 9 -7.259 -12.835 8.436 1.00 0.00 C ATOM 0 HA PRO A 9 -6.639 -9.652 8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.887 -10.206 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.882 -10.516 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.432 -12.443 10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.381 -12.662 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.875 -13.700 8.977 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.502 -13.171 7.428 1.00 0.00 H new ATOM 102 N ASN A 10 -6.706 -8.718 10.493 1.00 0.00 N ATOM 103 CA ASN A 10 -6.295 -8.136 11.766 1.00 0.00 C ATOM 104 C ASN A 10 -7.467 -7.436 12.447 1.00 0.00 C ATOM 105 O ASN A 10 -8.597 -7.473 11.958 1.00 0.00 O ATOM 106 CB ASN A 10 -5.150 -7.144 11.551 1.00 0.00 C ATOM 107 CG ASN A 10 -5.541 -5.998 10.638 1.00 0.00 C ATOM 108 OD1 ASN A 10 -6.575 -5.360 10.833 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.712 -5.732 9.634 1.00 0.00 N ATOM 0 H ASN A 10 -7.235 -8.087 9.892 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.951 -8.944 12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.833 -6.745 12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.294 -7.668 11.126 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.922 -4.972 8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.866 -6.288 9.511 1.00 0.00 H new ATOM 116 N LEU A 11 -7.191 -6.798 13.579 1.00 0.00 N ATOM 117 CA LEU A 11 -8.221 -6.089 14.329 1.00 0.00 C ATOM 118 C LEU A 11 -8.945 -5.082 13.441 1.00 0.00 C ATOM 119 O LEU A 11 -10.173 -5.013 13.436 1.00 0.00 O ATOM 120 CB LEU A 11 -7.604 -5.373 15.532 1.00 0.00 C ATOM 121 CG LEU A 11 -7.217 -6.262 16.715 1.00 0.00 C ATOM 122 CD1 LEU A 11 -6.043 -5.660 17.472 1.00 0.00 C ATOM 123 CD2 LEU A 11 -8.406 -6.463 17.642 1.00 0.00 C ATOM 0 H LEU A 11 -6.262 -6.757 13.998 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.946 -6.822 14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.714 -4.841 15.196 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.310 -4.621 15.884 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.914 -7.236 16.330 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.781 -6.306 18.310 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.187 -5.569 16.803 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.318 -4.674 17.846 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.112 -7.098 18.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.740 -5.497 18.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.219 -6.939 17.093 1.00 0.00 H new ATOM 135 N GLY A 12 -8.174 -4.303 12.688 1.00 0.00 N ATOM 136 CA GLY A 12 -8.759 -3.312 11.804 1.00 0.00 C ATOM 137 C GLY A 12 -9.282 -3.919 10.517 1.00 0.00 C ATOM 138 O GLY A 12 -9.084 -3.366 9.436 1.00 0.00 O ATOM 0 H GLY A 12 -7.155 -4.341 12.675 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.574 -2.805 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.012 -2.555 11.567 1.00 0.00 H new ATOM 142 N ASN A 13 -9.951 -5.061 10.633 1.00 0.00 N ATOM 143 CA ASN A 13 -10.503 -5.746 9.469 1.00 0.00 C ATOM 144 C ASN A 13 -9.601 -5.562 8.252 1.00 0.00 C ATOM 145 O ASN A 13 -10.080 -5.409 7.129 1.00 0.00 O ATOM 146 CB ASN A 13 -11.907 -5.221 9.161 1.00 0.00 C ATOM 147 CG ASN A 13 -12.891 -5.515 10.277 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.236 -6.670 10.528 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.349 -4.468 10.953 1.00 0.00 N ATOM 0 H ASN A 13 -10.124 -5.532 11.521 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.562 -6.810 9.698 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.861 -4.145 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.266 -5.672 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.014 -4.604 11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.036 -3.528 10.711 1.00 0.00 H new ATOM 156 N GLY A 14 -8.292 -5.578 8.485 1.00 0.00 N ATOM 157 CA GLY A 14 -7.344 -5.412 7.398 1.00 0.00 C ATOM 158 C GLY A 14 -6.623 -6.701 7.057 1.00 0.00 C ATOM 159 O GLY A 14 -7.214 -7.780 7.095 1.00 0.00 O ATOM 0 H GLY A 14 -7.871 -5.703 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.869 -5.048 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.613 -4.651 7.671 1.00 0.00 H new ATOM 163 N ALA A 15 -5.342 -6.590 6.720 1.00 0.00 N ATOM 164 CA ALA A 15 -4.540 -7.756 6.370 1.00 0.00 C ATOM 165 C ALA A 15 -3.080 -7.554 6.761 1.00 0.00 C ATOM 166 O ALA A 15 -2.423 -6.626 6.289 1.00 0.00 O ATOM 167 CB ALA A 15 -4.655 -8.048 4.881 1.00 0.00 C ATOM 0 H ALA A 15 -4.837 -5.704 6.682 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.923 -8.611 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.051 -8.921 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.697 -8.244 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.299 -7.188 4.313 1.00 0.00 H new ATOM 173 N ASP A 16 -2.577 -8.429 7.625 1.00 0.00 N ATOM 174 CA ASP A 16 -1.194 -8.347 8.079 1.00 0.00 C ATOM 175 C ASP A 16 -0.256 -9.027 7.087 1.00 0.00 C ATOM 176 O ASP A 16 -0.215 -10.255 6.996 1.00 0.00 O ATOM 177 CB ASP A 16 -1.049 -8.990 9.460 1.00 0.00 C ATOM 178 CG ASP A 16 -1.307 -8.007 10.585 1.00 0.00 C ATOM 179 OD1 ASP A 16 -0.728 -6.901 10.550 1.00 0.00 O ATOM 180 OD2 ASP A 16 -2.085 -8.344 11.501 1.00 0.00 O ATOM 0 H ASP A 16 -3.107 -9.203 8.025 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.921 -7.294 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.745 -9.825 9.544 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.045 -9.401 9.563 1.00 0.00 H new ATOM 185 N LEU A 17 0.497 -8.222 6.345 1.00 0.00 N ATOM 186 CA LEU A 17 1.435 -8.746 5.358 1.00 0.00 C ATOM 187 C LEU A 17 2.875 -8.555 5.821 1.00 0.00 C ATOM 188 O LEU A 17 3.187 -7.661 6.608 1.00 0.00 O ATOM 189 CB LEU A 17 1.225 -8.055 4.009 1.00 0.00 C ATOM 190 CG LEU A 17 -0.192 -7.556 3.724 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.156 -6.330 2.825 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.027 -8.659 3.089 1.00 0.00 C ATOM 0 H LEU A 17 0.476 -7.204 6.408 1.00 0.00 H new ATOM 0 HA LEU A 17 1.248 -9.814 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.907 -7.207 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.510 -8.750 3.219 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.654 -7.274 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.174 -5.989 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.406 -5.535 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.325 -6.585 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.033 -8.287 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.566 -8.970 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.081 -9.511 3.767 1.00 0.00 H new ATOM 204 N PRO A 18 3.776 -9.414 5.322 1.00 0.00 N ATOM 205 CA PRO A 18 5.199 -9.359 5.668 1.00 0.00 C ATOM 206 C PRO A 18 5.893 -8.136 5.079 1.00 0.00 C ATOM 207 O PRO A 18 6.940 -7.711 5.564 1.00 0.00 O ATOM 208 CB PRO A 18 5.764 -10.642 5.053 1.00 0.00 C ATOM 209 CG PRO A 18 4.835 -10.967 3.935 1.00 0.00 C ATOM 210 CD PRO A 18 3.475 -10.504 4.379 1.00 0.00 C ATOM 0 HA PRO A 18 5.353 -9.282 6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.782 -10.493 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.801 -11.449 5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.138 -10.464 3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.834 -12.037 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.876 -10.154 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.914 -11.306 4.858 1.00 0.00 H new ATOM 218 N ASN A 19 5.301 -7.574 4.030 1.00 0.00 N ATOM 219 CA ASN A 19 5.863 -6.399 3.374 1.00 0.00 C ATOM 220 C ASN A 19 5.324 -5.116 4.001 1.00 0.00 C ATOM 221 O ASN A 19 6.026 -4.108 4.079 1.00 0.00 O ATOM 222 CB ASN A 19 5.543 -6.422 1.878 1.00 0.00 C ATOM 223 CG ASN A 19 6.452 -7.360 1.107 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.392 -8.578 1.277 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.299 -6.796 0.255 1.00 0.00 N ATOM 0 H ASN A 19 4.433 -7.913 3.616 1.00 0.00 H new ATOM 0 HA ASN A 19 6.945 -6.422 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.506 -6.727 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.638 -5.414 1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.935 -7.377 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.314 -5.782 0.147 1.00 0.00 H new ATOM 232 N TYR A 20 4.073 -5.162 4.445 1.00 0.00 N ATOM 233 CA TYR A 20 3.438 -4.004 5.063 1.00 0.00 C ATOM 234 C TYR A 20 2.051 -4.359 5.589 1.00 0.00 C ATOM 235 O TYR A 20 1.409 -5.289 5.100 1.00 0.00 O ATOM 236 CB TYR A 20 3.337 -2.855 4.059 1.00 0.00 C ATOM 237 CG TYR A 20 2.799 -3.276 2.710 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.466 -3.636 2.553 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.624 -3.315 1.592 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.970 -4.022 1.322 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.136 -3.698 0.358 1.00 0.00 C ATOM 242 CZ TYR A 20 1.809 -4.051 0.228 1.00 0.00 C ATOM 243 OH TYR A 20 1.320 -4.434 -1.000 1.00 0.00 O ATOM 0 H TYR A 20 3.478 -5.989 4.388 1.00 0.00 H new ATOM 0 HA TYR A 20 4.055 -3.689 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.693 -2.079 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.324 -2.412 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.806 -3.614 3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.664 -3.041 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.069 -4.299 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.790 -3.721 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 20 2.040 -4.399 -1.664 1.00 0.00 H new ATOM 253 N ARG A 21 1.594 -3.611 6.588 1.00 0.00 N ATOM 254 CA ARG A 21 0.284 -3.845 7.181 1.00 0.00 C ATOM 255 C ARG A 21 -0.644 -2.658 6.939 1.00 0.00 C ATOM 256 O ARG A 21 -0.236 -1.504 7.066 1.00 0.00 O ATOM 257 CB ARG A 21 0.419 -4.102 8.683 1.00 0.00 C ATOM 258 CG ARG A 21 1.163 -3.003 9.424 1.00 0.00 C ATOM 259 CD ARG A 21 1.701 -3.497 10.758 1.00 0.00 C ATOM 260 NE ARG A 21 2.734 -2.613 11.293 1.00 0.00 N ATOM 261 CZ ARG A 21 3.263 -2.749 12.503 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.859 -3.728 13.301 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.198 -1.904 12.919 1.00 0.00 N ATOM 0 H ARG A 21 2.113 -2.837 7.004 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.149 -4.725 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.576 -4.211 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.939 -5.048 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.987 -2.642 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.495 -2.158 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.882 -3.572 11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.110 -4.500 10.635 1.00 0.00 H new ATOM 0 HE ARG A 21 3.067 -1.849 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.140 -4.379 12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.267 -3.830 14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.511 -1.149 12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.604 -2.010 13.849 1.00 0.00 H new ATOM 277 N TRP A 22 -1.891 -2.950 6.589 1.00 0.00 N ATOM 278 CA TRP A 22 -2.876 -1.907 6.327 1.00 0.00 C ATOM 279 C TRP A 22 -4.256 -2.324 6.824 1.00 0.00 C ATOM 280 O TRP A 22 -4.619 -3.499 6.764 1.00 0.00 O ATOM 281 CB TRP A 22 -2.931 -1.592 4.832 1.00 0.00 C ATOM 282 CG TRP A 22 -3.491 -2.713 4.009 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.796 -3.547 3.180 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.861 -3.122 3.936 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.653 -4.449 2.596 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.925 -4.210 3.044 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.040 -2.676 4.539 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.121 -4.855 2.741 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.227 -3.317 4.237 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.260 -4.397 3.346 1.00 0.00 C ATOM 0 H TRP A 22 -2.244 -3.901 6.480 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.572 -1.011 6.868 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.538 -0.700 4.678 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.926 -1.359 4.480 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.731 -3.504 3.009 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.385 -5.179 1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.024 -1.845 5.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.149 -5.687 2.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.144 -2.979 4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.203 -4.878 3.132 1.00 0.00 H new ATOM 301 N THR A 23 -5.022 -1.354 7.313 1.00 0.00 N ATOM 302 CA THR A 23 -6.362 -1.621 7.821 1.00 0.00 C ATOM 303 C THR A 23 -7.406 -0.798 7.076 1.00 0.00 C ATOM 304 O THR A 23 -7.085 0.222 6.465 1.00 0.00 O ATOM 305 CB THR A 23 -6.463 -1.317 9.327 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.154 0.060 9.571 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.517 -2.203 10.123 1.00 0.00 C ATOM 0 H THR A 23 -4.737 -0.376 7.368 1.00 0.00 H new ATOM 0 HA THR A 23 -6.556 -2.681 7.659 1.00 0.00 H new ATOM 0 HB THR A 23 -7.484 -1.522 9.649 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.198 0.213 9.417 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.606 -1.970 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.774 -3.249 9.959 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.492 -2.026 9.798 1.00 0.00 H new ATOM 315 N GLN A 24 -8.656 -1.246 7.131 1.00 0.00 N ATOM 316 CA GLN A 24 -9.748 -0.549 6.461 1.00 0.00 C ATOM 317 C GLN A 24 -10.941 -0.381 7.395 1.00 0.00 C ATOM 318 O GLN A 24 -11.342 -1.320 8.084 1.00 0.00 O ATOM 319 CB GLN A 24 -10.172 -1.310 5.204 1.00 0.00 C ATOM 320 CG GLN A 24 -10.643 -2.729 5.482 1.00 0.00 C ATOM 321 CD GLN A 24 -10.367 -3.672 4.328 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.843 -3.266 3.291 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.718 -4.941 4.503 1.00 0.00 N ATOM 0 H GLN A 24 -8.938 -2.088 7.632 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.392 0.441 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.973 -0.760 4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.333 -1.344 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.148 -3.103 6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.713 -2.718 5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.150 -5.235 5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.556 -5.622 3.761 1.00 0.00 H new ATOM 332 N THR A 25 -11.506 0.822 7.415 1.00 0.00 N ATOM 333 CA THR A 25 -12.653 1.114 8.266 1.00 0.00 C ATOM 334 C THR A 25 -13.733 1.864 7.495 1.00 0.00 C ATOM 335 O THR A 25 -13.435 2.656 6.600 1.00 0.00 O ATOM 336 CB THR A 25 -12.243 1.948 9.495 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.806 3.247 9.082 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.133 1.256 10.272 1.00 0.00 C ATOM 0 H THR A 25 -11.188 1.610 6.851 1.00 0.00 H new ATOM 0 HA THR A 25 -13.049 0.156 8.602 1.00 0.00 H new ATOM 0 HB THR A 25 -13.112 2.048 10.145 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.260 3.166 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.860 1.863 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.480 0.280 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.263 1.129 9.628 1.00 0.00 H new ATOM 346 N LEU A 26 -14.989 1.612 7.848 1.00 0.00 N ATOM 347 CA LEU A 26 -16.114 2.265 7.189 1.00 0.00 C ATOM 348 C LEU A 26 -15.808 3.734 6.915 1.00 0.00 C ATOM 349 O LEU A 26 -16.375 4.337 6.004 1.00 0.00 O ATOM 350 CB LEU A 26 -17.373 2.147 8.049 1.00 0.00 C ATOM 351 CG LEU A 26 -18.159 0.842 7.913 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.323 0.815 8.892 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.657 0.665 6.486 1.00 0.00 C ATOM 0 H LEU A 26 -15.253 0.960 8.587 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.284 1.765 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.088 2.269 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.037 2.975 7.801 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.492 0.013 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.871 -0.121 8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.944 0.894 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.990 1.652 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.214 -0.269 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.308 1.499 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.807 0.638 5.805 1.00 0.00 H new ATOM 365 N ALA A 27 -14.906 4.303 7.708 1.00 0.00 N ATOM 366 CA ALA A 27 -14.521 5.699 7.548 1.00 0.00 C ATOM 367 C ALA A 27 -13.457 5.855 6.467 1.00 0.00 C ATOM 368 O ALA A 27 -13.712 6.436 5.413 1.00 0.00 O ATOM 369 CB ALA A 27 -14.020 6.263 8.870 1.00 0.00 C ATOM 0 H ALA A 27 -14.428 3.818 8.468 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.402 6.260 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.736 7.307 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.811 6.195 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.154 5.691 9.205 1.00 0.00 H new ATOM 375 N GLU A 28 -12.264 5.334 6.738 1.00 0.00 N ATOM 376 CA GLU A 28 -11.162 5.418 5.787 1.00 0.00 C ATOM 377 C GLU A 28 -10.279 4.176 5.867 1.00 0.00 C ATOM 378 O GLU A 28 -10.556 3.251 6.632 1.00 0.00 O ATOM 379 CB GLU A 28 -10.324 6.671 6.053 1.00 0.00 C ATOM 380 CG GLU A 28 -9.707 6.707 7.441 1.00 0.00 C ATOM 381 CD GLU A 28 -10.716 7.049 8.519 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.107 8.231 8.612 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.115 6.134 9.270 1.00 0.00 O ATOM 0 H GLU A 28 -12.037 4.850 7.607 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.585 5.478 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.529 6.731 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.951 7.552 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.260 5.737 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.901 7.440 7.457 1.00 0.00 H new ATOM 390 N LEU A 29 -9.215 4.162 5.072 1.00 0.00 N ATOM 391 CA LEU A 29 -8.290 3.033 5.051 1.00 0.00 C ATOM 392 C LEU A 29 -6.887 3.472 5.456 1.00 0.00 C ATOM 393 O LEU A 29 -6.338 4.424 4.901 1.00 0.00 O ATOM 394 CB LEU A 29 -8.257 2.401 3.658 1.00 0.00 C ATOM 395 CG LEU A 29 -7.895 0.917 3.603 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.468 0.274 2.350 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.385 0.734 3.657 1.00 0.00 C ATOM 0 H LEU A 29 -8.971 4.919 4.433 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.641 2.293 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.236 2.533 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.541 2.952 3.048 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.332 0.424 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.200 -0.782 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.553 0.373 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.062 0.770 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.146 -0.329 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.926 1.242 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.000 1.158 4.585 1.00 0.00 H new ATOM 409 N ASP A 30 -6.311 2.771 6.426 1.00 0.00 N ATOM 410 CA ASP A 30 -4.969 3.085 6.904 1.00 0.00 C ATOM 411 C ASP A 30 -3.947 2.105 6.338 1.00 0.00 C ATOM 412 O ASP A 30 -4.247 0.929 6.131 1.00 0.00 O ATOM 413 CB ASP A 30 -4.930 3.056 8.433 1.00 0.00 C ATOM 414 CG ASP A 30 -5.421 4.352 9.050 1.00 0.00 C ATOM 415 OD1 ASP A 30 -5.187 5.421 8.448 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.039 4.296 10.133 1.00 0.00 O ATOM 0 H ASP A 30 -6.752 1.981 6.897 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.713 4.087 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.543 2.230 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.909 2.863 8.764 1.00 0.00 H new ATOM 421 N LEU A 31 -2.738 2.597 6.089 1.00 0.00 N ATOM 422 CA LEU A 31 -1.671 1.765 5.545 1.00 0.00 C ATOM 423 C LEU A 31 -0.345 2.058 6.240 1.00 0.00 C ATOM 424 O LEU A 31 -0.072 3.194 6.626 1.00 0.00 O ATOM 425 CB LEU A 31 -1.532 1.998 4.040 1.00 0.00 C ATOM 426 CG LEU A 31 -0.127 1.828 3.460 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.299 0.369 3.514 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.073 2.349 2.032 1.00 0.00 C ATOM 0 H LEU A 31 -2.473 3.568 6.255 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.932 0.722 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.202 1.311 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.876 3.008 3.816 1.00 0.00 H new ATOM 0 HG LEU A 31 0.568 2.411 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.301 0.267 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.300 0.028 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.398 -0.235 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.934 2.220 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.780 1.794 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.335 3.407 2.021 1.00 0.00 H new ATOM 440 N ALA A 32 0.476 1.024 6.395 1.00 0.00 N ATOM 441 CA ALA A 32 1.776 1.171 7.040 1.00 0.00 C ATOM 442 C ALA A 32 2.830 0.312 6.351 1.00 0.00 C ATOM 443 O ALA A 32 2.755 -0.916 6.370 1.00 0.00 O ATOM 444 CB ALA A 32 1.677 0.808 8.514 1.00 0.00 C ATOM 0 H ALA A 32 0.264 0.076 6.083 1.00 0.00 H new ATOM 0 HA ALA A 32 2.082 2.214 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.654 0.922 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.960 1.467 9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.346 -0.226 8.613 1.00 0.00 H new ATOM 450 N VAL A 33 3.814 0.967 5.742 1.00 0.00 N ATOM 451 CA VAL A 33 4.885 0.263 5.046 1.00 0.00 C ATOM 452 C VAL A 33 6.209 0.405 5.789 1.00 0.00 C ATOM 453 O VAL A 33 6.926 1.396 5.645 1.00 0.00 O ATOM 454 CB VAL A 33 5.057 0.784 3.607 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.231 0.095 2.927 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.776 0.583 2.812 1.00 0.00 C ATOM 0 H VAL A 33 3.892 1.984 5.717 1.00 0.00 H new ATOM 0 HA VAL A 33 4.602 -0.789 5.011 1.00 0.00 H new ATOM 0 HB VAL A 33 5.268 1.853 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.338 0.476 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.144 0.295 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.053 -0.980 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.915 0.957 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.532 -0.479 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.962 1.127 3.291 1.00 0.00 H new ATOM 466 N PRO A 34 6.543 -0.607 6.602 1.00 0.00 N ATOM 467 CA PRO A 34 7.784 -0.619 7.383 1.00 0.00 C ATOM 468 C PRO A 34 9.020 -0.786 6.506 1.00 0.00 C ATOM 469 O PRO A 34 9.130 -1.751 5.748 1.00 0.00 O ATOM 470 CB PRO A 34 7.613 -1.831 8.303 1.00 0.00 C ATOM 471 CG PRO A 34 6.668 -2.726 7.578 1.00 0.00 C ATOM 472 CD PRO A 34 5.736 -1.819 6.822 1.00 0.00 C ATOM 0 HA PRO A 34 7.939 0.319 7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.566 -2.327 8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.214 -1.538 9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.203 -3.390 6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.117 -3.358 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.417 -2.266 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.834 -1.603 7.394 1.00 0.00 H new ATOM 480 N PHE A 35 9.948 0.158 6.612 1.00 0.00 N ATOM 481 CA PHE A 35 11.177 0.115 5.828 1.00 0.00 C ATOM 482 C PHE A 35 12.372 -0.237 6.708 1.00 0.00 C ATOM 483 O PHE A 35 12.455 0.189 7.860 1.00 0.00 O ATOM 484 CB PHE A 35 11.414 1.461 5.139 1.00 0.00 C ATOM 485 CG PHE A 35 10.488 1.716 3.985 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.540 0.923 2.850 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.565 2.748 4.035 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.690 1.156 1.786 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.711 2.985 2.974 1.00 0.00 C ATOM 490 CZ PHE A 35 8.773 2.187 1.848 1.00 0.00 C ATOM 0 H PHE A 35 9.873 0.963 7.234 1.00 0.00 H new ATOM 0 HA PHE A 35 11.068 -0.660 5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.297 2.260 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.444 1.502 4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.253 0.114 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.512 3.375 4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.743 0.532 0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.996 3.793 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.106 2.369 1.018 1.00 0.00 H new ATOM 500 N ARG A 36 13.296 -1.017 6.157 1.00 0.00 N ATOM 501 CA ARG A 36 14.486 -1.428 6.891 1.00 0.00 C ATOM 502 C ARG A 36 15.559 -0.345 6.838 1.00 0.00 C ATOM 503 O ARG A 36 16.696 -0.601 6.439 1.00 0.00 O ATOM 504 CB ARG A 36 15.037 -2.736 6.320 1.00 0.00 C ATOM 505 CG ARG A 36 15.542 -2.612 4.892 1.00 0.00 C ATOM 506 CD ARG A 36 15.603 -3.966 4.203 1.00 0.00 C ATOM 507 NE ARG A 36 16.562 -3.977 3.101 1.00 0.00 N ATOM 508 CZ ARG A 36 16.578 -4.903 2.150 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.691 -5.889 2.165 1.00 0.00 N ATOM 510 NH2 ARG A 36 17.482 -4.845 1.180 1.00 0.00 N ATOM 0 H ARG A 36 13.243 -1.377 5.204 1.00 0.00 H new ATOM 0 HA ARG A 36 14.204 -1.584 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.851 -3.086 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.256 -3.496 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.887 -1.946 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.533 -2.158 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.877 -4.731 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.614 -4.225 3.825 1.00 0.00 H new ATOM 0 HE ARG A 36 17.258 -3.232 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.994 -5.937 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.706 -6.599 1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.166 -4.088 1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.493 -5.557 0.450 1.00 0.00 H new ATOM 524 N VAL A 37 15.191 0.867 7.242 1.00 0.00 N ATOM 525 CA VAL A 37 16.121 1.989 7.241 1.00 0.00 C ATOM 526 C VAL A 37 16.677 2.243 8.638 1.00 0.00 C ATOM 527 O VAL A 37 16.026 1.947 9.640 1.00 0.00 O ATOM 528 CB VAL A 37 15.449 3.275 6.726 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.865 3.054 5.339 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.374 3.740 7.698 1.00 0.00 C ATOM 0 H VAL A 37 14.254 1.096 7.574 1.00 0.00 H new ATOM 0 HA VAL A 37 16.938 1.722 6.571 1.00 0.00 H new ATOM 0 HB VAL A 37 16.206 4.056 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.394 3.974 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.661 2.771 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.121 2.259 5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.909 4.650 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.617 2.963 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.825 3.941 8.670 1.00 0.00 H new ATOM 540 N SER A 38 17.885 2.795 8.697 1.00 0.00 N ATOM 541 CA SER A 38 18.531 3.087 9.971 1.00 0.00 C ATOM 542 C SER A 38 18.660 4.592 10.183 1.00 0.00 C ATOM 543 O SER A 38 19.457 5.050 11.002 1.00 0.00 O ATOM 544 CB SER A 38 19.912 2.432 10.029 1.00 0.00 C ATOM 545 OG SER A 38 20.276 2.126 11.364 1.00 0.00 O ATOM 0 H SER A 38 18.436 3.049 7.877 1.00 0.00 H new ATOM 0 HA SER A 38 17.909 2.678 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.911 1.521 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.653 3.100 9.591 1.00 0.00 H new ATOM 0 HG SER A 38 21.162 1.707 11.374 1.00 0.00 H new ATOM 551 N PHE A 39 17.870 5.358 9.437 1.00 0.00 N ATOM 552 CA PHE A 39 17.895 6.812 9.541 1.00 0.00 C ATOM 553 C PHE A 39 16.488 7.390 9.426 1.00 0.00 C ATOM 554 O PHE A 39 15.511 6.653 9.299 1.00 0.00 O ATOM 555 CB PHE A 39 18.793 7.407 8.454 1.00 0.00 C ATOM 556 CG PHE A 39 18.442 6.946 7.068 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.812 5.685 6.628 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.742 7.774 6.206 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.490 5.260 5.353 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.417 7.354 4.929 1.00 0.00 C ATOM 561 CZ PHE A 39 17.791 6.094 4.503 1.00 0.00 C ATOM 0 H PHE A 39 17.205 4.996 8.754 1.00 0.00 H new ATOM 0 HA PHE A 39 18.298 7.074 10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.727 8.494 8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.829 7.142 8.665 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.358 5.027 7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.446 8.759 6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.785 4.275 5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.872 8.010 4.266 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.537 5.762 3.507 1.00 0.00 H new ATOM 571 N ARG A 40 16.394 8.715 9.473 1.00 0.00 N ATOM 572 CA ARG A 40 15.107 9.393 9.376 1.00 0.00 C ATOM 573 C ARG A 40 14.716 9.613 7.917 1.00 0.00 C ATOM 574 O ARG A 40 15.370 10.368 7.195 1.00 0.00 O ATOM 575 CB ARG A 40 15.156 10.735 10.110 1.00 0.00 C ATOM 576 CG ARG A 40 13.784 11.311 10.418 1.00 0.00 C ATOM 577 CD ARG A 40 13.189 10.691 11.673 1.00 0.00 C ATOM 578 NE ARG A 40 11.730 10.753 11.674 1.00 0.00 N ATOM 579 CZ ARG A 40 11.039 11.807 12.094 1.00 0.00 C ATOM 580 NH1 ARG A 40 11.672 12.881 12.545 1.00 0.00 N ATOM 581 NH2 ARG A 40 9.713 11.787 12.064 1.00 0.00 N ATOM 0 H ARG A 40 17.193 9.340 9.578 1.00 0.00 H new ATOM 0 HA ARG A 40 14.355 8.758 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.706 10.609 11.043 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.714 11.450 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.862 12.391 10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.117 11.137 9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.508 9.652 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.575 11.209 12.551 1.00 0.00 H new ATOM 0 HE ARG A 40 11.213 9.942 11.333 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.692 12.899 12.570 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.139 13.689 12.867 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.223 10.962 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.183 12.597 12.387 1.00 0.00 H new ATOM 595 N LEU A 41 13.648 8.950 7.490 1.00 0.00 N ATOM 596 CA LEU A 41 13.170 9.072 6.117 1.00 0.00 C ATOM 597 C LEU A 41 12.618 10.470 5.855 1.00 0.00 C ATOM 598 O LEU A 41 11.918 11.040 6.691 1.00 0.00 O ATOM 599 CB LEU A 41 12.091 8.025 5.836 1.00 0.00 C ATOM 600 CG LEU A 41 12.568 6.574 5.762 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.393 5.637 5.527 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.611 6.410 4.667 1.00 0.00 C ATOM 0 H LEU A 41 13.096 8.322 8.074 1.00 0.00 H new ATOM 0 HA LEU A 41 14.014 8.903 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.331 8.098 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.606 8.276 4.892 1.00 0.00 H new ATOM 0 HG LEU A 41 13.028 6.314 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.752 4.609 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.681 5.734 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.903 5.896 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.939 5.371 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.177 6.689 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.466 7.052 4.879 1.00 0.00 H new ATOM 614 N LYS A 42 12.937 11.017 4.686 1.00 0.00 N ATOM 615 CA LYS A 42 12.472 12.346 4.311 1.00 0.00 C ATOM 616 C LYS A 42 11.456 12.267 3.175 1.00 0.00 C ATOM 617 O LYS A 42 11.610 11.474 2.247 1.00 0.00 O ATOM 618 CB LYS A 42 13.653 13.224 3.892 1.00 0.00 C ATOM 619 CG LYS A 42 14.714 13.371 4.969 1.00 0.00 C ATOM 620 CD LYS A 42 14.347 14.455 5.969 1.00 0.00 C ATOM 621 CE LYS A 42 14.969 14.190 7.332 1.00 0.00 C ATOM 622 NZ LYS A 42 14.342 15.018 8.398 1.00 0.00 N ATOM 0 H LYS A 42 13.516 10.559 3.982 1.00 0.00 H new ATOM 0 HA LYS A 42 11.987 12.791 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.111 12.800 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.282 14.213 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.839 12.422 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.672 13.610 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.682 15.423 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.263 14.509 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.861 13.134 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.038 14.400 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.793 14.808 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.467 16.026 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.327 14.799 8.455 1.00 0.00 H new ATOM 636 N GLY A 43 10.419 13.094 3.255 1.00 0.00 N ATOM 637 CA GLY A 43 9.394 13.102 2.227 1.00 0.00 C ATOM 638 C GLY A 43 9.970 12.942 0.834 1.00 0.00 C ATOM 639 O GLY A 43 9.300 12.443 -0.070 1.00 0.00 O ATOM 0 H GLY A 43 10.270 13.759 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.685 12.296 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.836 14.037 2.281 1.00 0.00 H new ATOM 643 N LYS A 44 11.217 13.368 0.658 1.00 0.00 N ATOM 644 CA LYS A 44 11.884 13.270 -0.634 1.00 0.00 C ATOM 645 C LYS A 44 12.452 11.871 -0.849 1.00 0.00 C ATOM 646 O LYS A 44 12.332 11.302 -1.935 1.00 0.00 O ATOM 647 CB LYS A 44 13.005 14.308 -0.732 1.00 0.00 C ATOM 648 CG LYS A 44 14.076 14.149 0.333 1.00 0.00 C ATOM 649 CD LYS A 44 14.965 15.378 0.417 1.00 0.00 C ATOM 650 CE LYS A 44 16.197 15.117 1.270 1.00 0.00 C ATOM 651 NZ LYS A 44 17.081 14.082 0.665 1.00 0.00 N ATOM 0 H LYS A 44 11.786 13.785 1.395 1.00 0.00 H new ATOM 0 HA LYS A 44 11.146 13.466 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.469 14.237 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.573 15.306 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.605 13.972 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.685 13.273 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.272 15.676 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.399 16.210 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.756 16.045 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.889 14.795 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.038 14.166 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.701 13.136 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.122 14.220 -0.365 1.00 0.00 H new ATOM 665 N ASP A 45 13.068 11.321 0.191 1.00 0.00 N ATOM 666 CA ASP A 45 13.652 9.987 0.117 1.00 0.00 C ATOM 667 C ASP A 45 12.600 8.955 -0.275 1.00 0.00 C ATOM 668 O ASP A 45 12.877 8.028 -1.037 1.00 0.00 O ATOM 669 CB ASP A 45 14.283 9.608 1.457 1.00 0.00 C ATOM 670 CG ASP A 45 15.649 10.237 1.653 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.864 11.359 1.148 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.502 9.608 2.313 1.00 0.00 O ATOM 0 H ASP A 45 13.176 11.779 1.096 1.00 0.00 H new ATOM 0 HA ASP A 45 14.427 9.998 -0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.623 9.920 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.373 8.524 1.519 1.00 0.00 H new ATOM 677 N VAL A 46 11.391 9.120 0.253 1.00 0.00 N ATOM 678 CA VAL A 46 10.297 8.202 -0.041 1.00 0.00 C ATOM 679 C VAL A 46 9.490 8.676 -1.245 1.00 0.00 C ATOM 680 O VAL A 46 9.534 9.851 -1.612 1.00 0.00 O ATOM 681 CB VAL A 46 9.354 8.048 1.167 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.070 7.361 2.319 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.813 9.403 1.596 1.00 0.00 C ATOM 0 H VAL A 46 11.145 9.881 0.886 1.00 0.00 H new ATOM 0 HA VAL A 46 10.747 7.235 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 46 8.511 7.423 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.388 7.261 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.403 6.373 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.933 7.956 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.149 9.275 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.642 10.054 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.260 9.852 0.771 1.00 0.00 H new ATOM 693 N VAL A 47 8.752 7.755 -1.856 1.00 0.00 N ATOM 694 CA VAL A 47 7.933 8.079 -3.018 1.00 0.00 C ATOM 695 C VAL A 47 6.521 7.524 -2.867 1.00 0.00 C ATOM 696 O VAL A 47 6.291 6.327 -3.041 1.00 0.00 O ATOM 697 CB VAL A 47 8.554 7.527 -4.314 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.658 7.826 -5.506 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.946 8.103 -4.525 1.00 0.00 C ATOM 0 H VAL A 47 8.704 6.778 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 47 7.888 9.166 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 47 8.644 6.445 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.114 7.428 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.684 7.360 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.533 8.904 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.370 7.702 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.883 9.189 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.584 7.831 -3.684 1.00 0.00 H new ATOM 709 N VAL A 48 5.577 8.402 -2.542 1.00 0.00 N ATOM 710 CA VAL A 48 4.186 8.000 -2.369 1.00 0.00 C ATOM 711 C VAL A 48 3.264 8.809 -3.274 1.00 0.00 C ATOM 712 O VAL A 48 3.145 10.026 -3.128 1.00 0.00 O ATOM 713 CB VAL A 48 3.731 8.170 -0.908 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.236 7.917 -0.781 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.516 7.240 0.006 1.00 0.00 C ATOM 0 H VAL A 48 5.750 9.396 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 48 4.124 6.946 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 48 3.929 9.197 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.933 8.042 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.693 8.626 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.010 6.901 -1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.182 7.373 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.351 6.206 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.578 7.473 -0.063 1.00 0.00 H new ATOM 725 N ASP A 49 2.614 8.126 -4.209 1.00 0.00 N ATOM 726 CA ASP A 49 1.700 8.780 -5.138 1.00 0.00 C ATOM 727 C ASP A 49 0.253 8.410 -4.829 1.00 0.00 C ATOM 728 O ASP A 49 -0.145 7.253 -4.965 1.00 0.00 O ATOM 729 CB ASP A 49 2.041 8.395 -6.579 1.00 0.00 C ATOM 730 CG ASP A 49 1.452 9.359 -7.591 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.215 9.355 -7.764 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.229 10.117 -8.208 1.00 0.00 O ATOM 0 H ASP A 49 2.703 7.119 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 49 1.813 9.858 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.124 8.365 -6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.671 7.390 -6.781 1.00 0.00 H new ATOM 737 N ILE A 50 -0.529 9.400 -4.411 1.00 0.00 N ATOM 738 CA ILE A 50 -1.932 9.178 -4.082 1.00 0.00 C ATOM 739 C ILE A 50 -2.847 9.766 -5.150 1.00 0.00 C ATOM 740 O ILE A 50 -2.840 10.973 -5.390 1.00 0.00 O ATOM 741 CB ILE A 50 -2.294 9.792 -2.717 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.438 9.172 -1.610 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.774 9.595 -2.423 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.537 9.901 -0.289 1.00 0.00 C ATOM 0 H ILE A 50 -0.215 10.363 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.078 8.099 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.090 10.862 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.740 8.135 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.397 9.159 -1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.014 10.034 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.367 10.080 -3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.003 8.529 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.905 9.406 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.207 10.932 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.571 9.891 0.055 1.00 0.00 H new ATOM 756 N GLN A 51 -3.634 8.905 -5.787 1.00 0.00 N ATOM 757 CA GLN A 51 -4.556 9.340 -6.830 1.00 0.00 C ATOM 758 C GLN A 51 -5.994 8.983 -6.468 1.00 0.00 C ATOM 759 O GLN A 51 -6.263 8.477 -5.379 1.00 0.00 O ATOM 760 CB GLN A 51 -4.181 8.703 -8.169 1.00 0.00 C ATOM 761 CG GLN A 51 -3.199 9.531 -8.982 1.00 0.00 C ATOM 762 CD GLN A 51 -3.856 10.716 -9.662 1.00 0.00 C ATOM 763 OE1 GLN A 51 -4.988 11.080 -9.342 1.00 0.00 O ATOM 764 NE2 GLN A 51 -3.149 11.324 -10.606 1.00 0.00 N ATOM 0 H GLN A 51 -3.652 7.903 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.481 10.424 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.749 7.719 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.087 8.550 -8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.403 9.888 -8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.733 8.897 -9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.214 10.988 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.540 12.127 -11.099 1.00 0.00 H new ATOM 773 N ARG A 52 -6.914 9.251 -7.389 1.00 0.00 N ATOM 774 CA ARG A 52 -8.325 8.959 -7.166 1.00 0.00 C ATOM 775 C ARG A 52 -8.555 7.457 -7.031 1.00 0.00 C ATOM 776 O ARG A 52 -9.177 6.998 -6.073 1.00 0.00 O ATOM 777 CB ARG A 52 -9.170 9.514 -8.314 1.00 0.00 C ATOM 778 CG ARG A 52 -10.660 9.543 -8.016 1.00 0.00 C ATOM 779 CD ARG A 52 -11.030 10.730 -7.140 1.00 0.00 C ATOM 780 NE ARG A 52 -10.950 11.993 -7.868 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.503 13.123 -7.441 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.171 13.147 -6.296 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.387 14.233 -8.160 1.00 0.00 N ATOM 0 H ARG A 52 -6.708 9.670 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.627 9.440 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.835 10.525 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.998 8.910 -9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.218 9.591 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.951 8.618 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.041 10.596 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.364 10.766 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.442 12.009 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.261 12.296 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.594 14.016 -5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.873 14.219 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.812 15.100 -7.831 1.00 0.00 H new ATOM 797 N ARG A 53 -8.050 6.697 -7.997 1.00 0.00 N ATOM 798 CA ARG A 53 -8.202 5.247 -7.987 1.00 0.00 C ATOM 799 C ARG A 53 -6.855 4.558 -8.188 1.00 0.00 C ATOM 800 O ARG A 53 -6.769 3.522 -8.848 1.00 0.00 O ATOM 801 CB ARG A 53 -9.180 4.807 -9.078 1.00 0.00 C ATOM 802 CG ARG A 53 -9.951 3.545 -8.732 1.00 0.00 C ATOM 803 CD ARG A 53 -11.316 3.524 -9.403 1.00 0.00 C ATOM 804 NE ARG A 53 -12.226 2.578 -8.763 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.236 1.276 -9.024 1.00 0.00 C ATOM 806 NH1 ARG A 53 -11.388 0.767 -9.907 1.00 0.00 N ATOM 807 NH2 ARG A 53 -13.095 0.479 -8.400 1.00 0.00 N ATOM 0 H ARG A 53 -7.532 7.061 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.599 4.955 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.887 5.614 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.629 4.643 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.378 2.671 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.075 3.478 -7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.751 4.523 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.199 3.260 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.891 2.937 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.726 1.376 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.398 -0.233 -10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.748 0.867 -7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.102 -0.521 -8.601 1.00 0.00 H new ATOM 821 N HIS A 54 -5.807 5.140 -7.614 1.00 0.00 N ATOM 822 CA HIS A 54 -4.464 4.582 -7.731 1.00 0.00 C ATOM 823 C HIS A 54 -3.559 5.109 -6.622 1.00 0.00 C ATOM 824 O HIS A 54 -3.596 6.294 -6.287 1.00 0.00 O ATOM 825 CB HIS A 54 -3.866 4.918 -9.097 1.00 0.00 C ATOM 826 CG HIS A 54 -2.592 4.186 -9.389 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.368 4.814 -9.482 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.357 2.871 -9.609 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.435 3.917 -9.747 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.009 2.730 -9.829 1.00 0.00 N ATOM 0 H HIS A 54 -5.861 5.997 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.537 3.499 -7.632 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.596 4.684 -9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.679 5.991 -9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.093 2.080 -9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.618 4.120 -9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.529 1.851 -10.024 1.00 0.00 H new ATOM 839 N LEU A 55 -2.747 4.223 -6.056 1.00 0.00 N ATOM 840 CA LEU A 55 -1.832 4.599 -4.984 1.00 0.00 C ATOM 841 C LEU A 55 -0.485 3.903 -5.148 1.00 0.00 C ATOM 842 O LEU A 55 -0.416 2.764 -5.610 1.00 0.00 O ATOM 843 CB LEU A 55 -2.437 4.249 -3.623 1.00 0.00 C ATOM 844 CG LEU A 55 -1.453 4.142 -2.458 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.998 5.524 -2.015 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.083 3.388 -1.296 1.00 0.00 C ATOM 0 H LEU A 55 -2.704 3.239 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.673 5.676 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.183 5.004 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.964 3.299 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.579 3.585 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.298 5.428 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.507 6.029 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.862 6.106 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.369 3.321 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.974 3.918 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.358 2.384 -1.620 1.00 0.00 H new ATOM 858 N ARG A 56 0.584 4.594 -4.764 1.00 0.00 N ATOM 859 CA ARG A 56 1.929 4.041 -4.868 1.00 0.00 C ATOM 860 C ARG A 56 2.764 4.411 -3.646 1.00 0.00 C ATOM 861 O ARG A 56 2.550 5.454 -3.027 1.00 0.00 O ATOM 862 CB ARG A 56 2.613 4.545 -6.140 1.00 0.00 C ATOM 863 CG ARG A 56 3.753 3.656 -6.611 1.00 0.00 C ATOM 864 CD ARG A 56 4.590 4.343 -7.678 1.00 0.00 C ATOM 865 NE ARG A 56 3.817 4.620 -8.886 1.00 0.00 N ATOM 866 CZ ARG A 56 4.361 4.766 -10.090 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.674 4.661 -10.244 1.00 0.00 N ATOM 868 NH2 ARG A 56 3.592 5.016 -11.141 1.00 0.00 N ATOM 0 H ARG A 56 0.544 5.537 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 56 1.847 2.955 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.871 4.622 -6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.996 5.550 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.386 3.394 -5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.349 2.724 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.989 5.276 -7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.443 3.714 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 56 2.804 4.706 -8.801 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.268 4.468 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.090 4.773 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.582 5.097 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.011 5.128 -12.064 1.00 0.00 H new ATOM 882 N VAL A 57 3.717 3.550 -3.304 1.00 0.00 N ATOM 883 CA VAL A 57 4.586 3.787 -2.157 1.00 0.00 C ATOM 884 C VAL A 57 5.932 3.092 -2.335 1.00 0.00 C ATOM 885 O VAL A 57 6.008 1.995 -2.886 1.00 0.00 O ATOM 886 CB VAL A 57 3.936 3.296 -0.850 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.853 3.559 0.334 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.583 3.961 -0.646 1.00 0.00 C ATOM 0 H VAL A 57 3.907 2.682 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 57 4.742 4.864 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 57 3.779 2.220 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.377 3.205 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.796 3.031 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.045 4.629 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.138 3.603 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.713 5.042 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.927 3.716 -1.481 1.00 0.00 H new ATOM 898 N GLY A 58 6.993 3.740 -1.863 1.00 0.00 N ATOM 899 CA GLY A 58 8.322 3.170 -1.979 1.00 0.00 C ATOM 900 C GLY A 58 9.413 4.170 -1.649 1.00 0.00 C ATOM 901 O GLY A 58 9.172 5.155 -0.949 1.00 0.00 O ATOM 0 H GLY A 58 6.955 4.649 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.406 2.312 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.468 2.800 -2.994 1.00 0.00 H new ATOM 905 N LEU A 59 10.616 3.918 -2.153 1.00 0.00 N ATOM 906 CA LEU A 59 11.749 4.804 -1.907 1.00 0.00 C ATOM 907 C LEU A 59 12.434 5.187 -3.215 1.00 0.00 C ATOM 908 O LEU A 59 12.671 4.340 -4.076 1.00 0.00 O ATOM 909 CB LEU A 59 12.753 4.131 -0.970 1.00 0.00 C ATOM 910 CG LEU A 59 12.182 3.564 0.330 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.085 2.470 0.878 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.997 4.670 1.359 1.00 0.00 C ATOM 0 H LEU A 59 10.832 3.108 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 59 11.374 5.712 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.240 3.321 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.527 4.856 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 59 11.206 3.128 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.662 2.079 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.166 1.665 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.075 2.881 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.590 4.248 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.960 5.136 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.309 5.419 0.968 1.00 0.00 H new ATOM 924 N LYS A 60 12.753 6.469 -3.356 1.00 0.00 N ATOM 925 CA LYS A 60 13.415 6.966 -4.556 1.00 0.00 C ATOM 926 C LYS A 60 14.392 5.932 -5.106 1.00 0.00 C ATOM 927 O LYS A 60 15.133 5.302 -4.352 1.00 0.00 O ATOM 928 CB LYS A 60 14.154 8.271 -4.253 1.00 0.00 C ATOM 929 CG LYS A 60 14.261 9.201 -5.449 1.00 0.00 C ATOM 930 CD LYS A 60 12.945 9.909 -5.726 1.00 0.00 C ATOM 931 CE LYS A 60 13.094 10.955 -6.820 1.00 0.00 C ATOM 932 NZ LYS A 60 12.021 11.985 -6.752 1.00 0.00 N ATOM 0 H LYS A 60 12.563 7.183 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 60 12.651 7.155 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.640 8.790 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.156 8.036 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.041 9.940 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.560 8.631 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.192 9.178 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.587 10.385 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.067 11.438 -6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.068 10.467 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.158 12.680 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.093 11.528 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.061 12.468 -5.832 1.00 0.00 H new ATOM 946 N GLY A 61 14.390 5.764 -6.425 1.00 0.00 N ATOM 947 CA GLY A 61 15.282 4.807 -7.052 1.00 0.00 C ATOM 948 C GLY A 61 14.823 3.375 -6.861 1.00 0.00 C ATOM 949 O GLY A 61 14.645 2.639 -7.831 1.00 0.00 O ATOM 0 H GLY A 61 13.786 6.274 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.351 5.024 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.283 4.923 -6.637 1.00 0.00 H new ATOM 953 N GLN A 62 14.632 2.978 -5.607 1.00 0.00 N ATOM 954 CA GLN A 62 14.194 1.624 -5.292 1.00 0.00 C ATOM 955 C GLN A 62 12.810 1.352 -5.873 1.00 0.00 C ATOM 956 O GLN A 62 12.061 2.268 -6.214 1.00 0.00 O ATOM 957 CB GLN A 62 14.175 1.410 -3.778 1.00 0.00 C ATOM 958 CG GLN A 62 15.487 0.877 -3.223 1.00 0.00 C ATOM 959 CD GLN A 62 16.445 1.983 -2.828 1.00 0.00 C ATOM 960 OE1 GLN A 62 17.123 2.565 -3.675 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.507 2.279 -1.535 1.00 0.00 N ATOM 0 H GLN A 62 14.774 3.575 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 62 14.901 0.927 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.940 2.355 -3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.374 0.714 -3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.282 0.251 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.961 0.240 -3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.927 1.771 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.135 3.014 -1.210 1.00 0.00 H new ATOM 970 N PRO A 63 12.460 0.062 -5.989 1.00 0.00 N ATOM 971 CA PRO A 63 11.164 -0.361 -6.528 1.00 0.00 C ATOM 972 C PRO A 63 10.009 -0.031 -5.589 1.00 0.00 C ATOM 973 O PRO A 63 10.148 -0.050 -4.366 1.00 0.00 O ATOM 974 CB PRO A 63 11.318 -1.877 -6.674 1.00 0.00 C ATOM 975 CG PRO A 63 12.356 -2.250 -5.674 1.00 0.00 C ATOM 976 CD PRO A 63 13.302 -1.083 -5.603 1.00 0.00 C ATOM 0 HA PRO A 63 10.925 0.149 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.377 -2.391 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.626 -2.148 -7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.907 -2.448 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.879 -3.158 -5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.714 -0.960 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.146 -1.208 -6.281 1.00 0.00 H new ATOM 984 N PRO A 64 8.841 0.280 -6.171 1.00 0.00 N ATOM 985 CA PRO A 64 7.640 0.619 -5.403 1.00 0.00 C ATOM 986 C PRO A 64 7.064 -0.585 -4.665 1.00 0.00 C ATOM 987 O PRO A 64 6.559 -1.522 -5.284 1.00 0.00 O ATOM 988 CB PRO A 64 6.661 1.108 -6.474 1.00 0.00 C ATOM 989 CG PRO A 64 7.109 0.442 -7.729 1.00 0.00 C ATOM 990 CD PRO A 64 8.604 0.322 -7.624 1.00 0.00 C ATOM 0 HA PRO A 64 7.847 1.355 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.635 0.836 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.689 2.193 -6.570 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.646 -0.539 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.825 1.027 -8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.971 -0.578 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.109 1.169 -8.089 1.00 0.00 H new ATOM 998 N VAL A 65 7.143 -0.553 -3.339 1.00 0.00 N ATOM 999 CA VAL A 65 6.628 -1.641 -2.516 1.00 0.00 C ATOM 1000 C VAL A 65 5.128 -1.823 -2.721 1.00 0.00 C ATOM 1001 O VAL A 65 4.603 -2.929 -2.595 1.00 0.00 O ATOM 1002 CB VAL A 65 6.904 -1.394 -1.021 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.100 -0.205 -0.519 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.592 -2.642 -0.209 1.00 0.00 C ATOM 0 H VAL A 65 7.559 0.215 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 65 7.147 -2.547 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 65 7.962 -1.164 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.308 -0.046 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.378 0.686 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.036 -0.402 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.793 -2.450 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.542 -2.906 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.217 -3.466 -0.553 1.00 0.00 H new ATOM 1014 N VAL A 66 4.443 -0.729 -3.039 1.00 0.00 N ATOM 1015 CA VAL A 66 3.003 -0.767 -3.263 1.00 0.00 C ATOM 1016 C VAL A 66 2.639 -0.141 -4.604 1.00 0.00 C ATOM 1017 O VAL A 66 2.909 1.036 -4.845 1.00 0.00 O ATOM 1018 CB VAL A 66 2.241 -0.035 -2.143 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.740 -0.220 -2.309 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.699 -0.525 -0.778 1.00 0.00 C ATOM 0 H VAL A 66 4.862 0.194 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 66 2.711 -1.817 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 66 2.462 1.030 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.218 0.304 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.428 0.185 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.497 -1.282 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.150 0.003 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.510 -1.595 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.766 -0.335 -0.662 1.00 0.00 H new ATOM 1030 N ASP A 67 2.024 -0.934 -5.474 1.00 0.00 N ATOM 1031 CA ASP A 67 1.621 -0.457 -6.792 1.00 0.00 C ATOM 1032 C ASP A 67 0.426 -1.249 -7.314 1.00 0.00 C ATOM 1033 O ASP A 67 0.534 -2.440 -7.600 1.00 0.00 O ATOM 1034 CB ASP A 67 2.787 -0.563 -7.775 1.00 0.00 C ATOM 1035 CG ASP A 67 3.092 -1.998 -8.160 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.732 -2.705 -7.353 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.690 -2.414 -9.266 1.00 0.00 O ATOM 0 H ASP A 67 1.793 -1.911 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 67 1.329 0.589 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.554 0.009 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.675 -0.113 -7.331 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.716 -0.577 -7.435 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.915 -1.234 -7.921 1.00 0.00 C ATOM 1044 C GLY A 68 -3.119 -0.312 -7.928 1.00 0.00 C ATOM 1045 O GLY A 68 -3.121 0.720 -7.258 1.00 0.00 O ATOM 0 H GLY A 68 -0.831 0.410 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.739 -1.604 -8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.129 -2.101 -7.296 1.00 0.00 H new ATOM 1049 N GLU A 69 -4.143 -0.685 -8.688 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.357 0.118 -8.781 1.00 0.00 C ATOM 1051 C GLU A 69 -6.210 -0.038 -7.525 1.00 0.00 C ATOM 1052 O GLU A 69 -6.574 -1.151 -7.143 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.168 -0.284 -10.015 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.585 0.264 -10.016 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.272 0.103 -11.359 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.717 0.583 -12.369 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.363 -0.503 -11.399 1.00 0.00 O ATOM 0 H GLU A 69 -4.157 -1.537 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.064 1.164 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.651 0.066 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.208 -1.372 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.169 -0.247 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.562 1.320 -9.748 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.523 1.084 -6.887 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.333 1.074 -5.674 1.00 0.00 C ATOM 1066 C LEU A 70 -8.660 0.360 -5.911 1.00 0.00 C ATOM 1067 O LEU A 70 -9.361 0.639 -6.884 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.588 2.504 -5.195 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.415 3.200 -4.505 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.694 4.687 -4.348 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -6.137 2.562 -3.151 1.00 0.00 C ATOM 0 H LEU A 70 -6.228 2.012 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.783 0.533 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.887 3.105 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.432 2.490 -4.506 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.529 3.081 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.848 5.166 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.842 5.135 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.592 4.827 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.299 3.070 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.021 2.649 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.892 1.509 -3.288 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.999 -0.560 -5.014 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.242 -1.314 -5.126 1.00 0.00 C ATOM 1085 C TYR A 71 -11.409 -0.393 -5.471 1.00 0.00 C ATOM 1086 O TYR A 71 -12.288 -0.753 -6.252 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.532 -2.055 -3.820 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.940 -2.600 -3.732 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.418 -3.500 -4.677 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.792 -2.216 -2.704 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.703 -3.999 -4.602 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.079 -2.712 -2.620 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.530 -3.603 -3.572 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.811 -4.100 -3.492 1.00 0.00 O ATOM 0 H TYR A 71 -8.431 -0.801 -4.202 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.126 -2.040 -5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.826 -2.878 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.360 -1.379 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.773 -3.814 -5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.442 -1.518 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.059 -4.696 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.728 -2.404 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.260 -3.722 -2.708 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.408 0.799 -4.882 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.465 1.773 -5.126 1.00 0.00 C ATOM 1106 C ASN A 72 -11.910 3.194 -5.112 1.00 0.00 C ATOM 1107 O ASN A 72 -10.752 3.414 -4.759 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.568 1.634 -4.075 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.868 2.281 -4.511 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.703 1.649 -5.157 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.044 3.550 -4.159 1.00 0.00 N ATOM 0 H ASN A 72 -10.687 1.113 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.885 1.576 -6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.742 0.577 -3.872 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.235 2.087 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.899 4.039 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.324 4.035 -3.623 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.745 4.153 -5.499 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.337 5.553 -5.531 1.00 0.00 C ATOM 1120 C GLU A 73 -12.098 6.082 -4.119 1.00 0.00 C ATOM 1121 O GLU A 73 -12.846 5.770 -3.193 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.399 6.401 -6.233 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.309 6.357 -7.749 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.788 7.640 -8.400 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.865 8.669 -7.695 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -14.087 7.616 -9.612 1.00 0.00 O ATOM 0 H GLU A 73 -13.707 3.987 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.403 5.620 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.387 6.058 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.304 7.435 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.276 6.169 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.903 5.522 -8.120 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.051 6.886 -3.964 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.713 7.460 -2.667 1.00 0.00 C ATOM 1135 C VAL A 74 -10.415 8.950 -2.786 1.00 0.00 C ATOM 1136 O VAL A 74 -9.595 9.367 -3.605 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.497 6.753 -2.040 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.758 5.260 -1.904 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.246 7.010 -2.868 1.00 0.00 C ATOM 0 H VAL A 74 -10.422 7.155 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.580 7.316 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.336 7.162 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.888 4.778 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.627 5.099 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.946 4.832 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.396 6.503 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.394 6.630 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.050 8.082 -2.909 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.086 9.749 -1.964 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.893 11.195 -1.975 1.00 0.00 C ATOM 1151 C LYS A 75 -9.409 11.545 -1.966 1.00 0.00 C ATOM 1152 O LYS A 75 -8.788 11.634 -0.906 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.586 11.831 -0.767 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.088 13.241 -1.028 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.245 13.598 -0.110 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.662 15.051 -0.280 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.292 15.596 0.955 1.00 0.00 N ATOM 0 H LYS A 75 -11.769 9.420 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.336 11.590 -2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.426 11.204 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.890 11.851 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.274 13.951 -0.882 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.406 13.329 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.093 12.947 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.958 13.419 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.790 15.651 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.362 15.133 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.842 16.446 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.923 14.880 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.552 15.843 1.642 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.845 11.745 -3.153 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.434 12.089 -3.281 1.00 0.00 C ATOM 1173 C VAL A 76 -7.154 13.480 -2.722 1.00 0.00 C ATOM 1174 O VAL A 76 -6.143 13.699 -2.057 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.975 12.036 -4.750 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.891 12.877 -5.627 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.531 12.500 -4.874 1.00 0.00 C ATOM 0 H VAL A 76 -9.344 11.675 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.875 11.351 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.032 11.003 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.551 12.827 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.910 12.495 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.870 13.913 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.223 12.456 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.446 13.525 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.888 11.852 -4.279 1.00 0.00 H new ATOM 1187 N GLU A 77 -8.058 14.415 -2.998 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.908 15.785 -2.522 1.00 0.00 C ATOM 1189 C GLU A 77 -7.808 15.825 -1.000 1.00 0.00 C ATOM 1190 O GLU A 77 -7.302 16.789 -0.426 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.085 16.643 -2.989 1.00 0.00 C ATOM 1192 CG GLU A 77 -10.442 16.059 -2.634 1.00 0.00 C ATOM 1193 CD GLU A 77 -11.513 16.411 -3.649 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.152 16.798 -4.781 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -12.710 16.299 -3.313 1.00 0.00 O ATOM 0 H GLU A 77 -8.901 14.249 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.986 16.188 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.999 17.635 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.025 16.770 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.359 14.975 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.744 16.423 -1.652 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.294 14.770 -0.353 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.261 14.685 1.102 1.00 0.00 C ATOM 1204 C GLU A 78 -7.183 13.709 1.566 1.00 0.00 C ATOM 1205 O GLU A 78 -6.555 13.910 2.606 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.625 14.250 1.641 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.580 15.406 1.885 1.00 0.00 C ATOM 1208 CD GLU A 78 -10.224 16.206 3.123 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.716 15.857 4.217 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.453 17.181 2.998 1.00 0.00 O ATOM 0 H GLU A 78 -8.715 13.963 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.023 15.674 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.081 13.556 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.481 13.706 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.575 16.065 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.594 15.019 1.986 1.00 0.00 H new ATOM 1217 N SER A 79 -6.976 12.652 0.787 1.00 0.00 N ATOM 1218 CA SER A 79 -5.978 11.642 1.119 1.00 0.00 C ATOM 1219 C SER A 79 -4.630 12.290 1.424 1.00 0.00 C ATOM 1220 O SER A 79 -4.284 13.325 0.856 1.00 0.00 O ATOM 1221 CB SER A 79 -5.828 10.645 -0.031 1.00 0.00 C ATOM 1222 OG SER A 79 -6.824 9.638 0.034 1.00 0.00 O ATOM 0 H SER A 79 -7.486 12.473 -0.078 1.00 0.00 H new ATOM 0 HA SER A 79 -6.317 11.111 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.899 11.170 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.840 10.187 0.007 1.00 0.00 H new ATOM 0 HG SER A 79 -7.686 10.013 -0.242 1.00 0.00 H new ATOM 1228 N SER A 80 -3.875 11.671 2.326 1.00 0.00 N ATOM 1229 CA SER A 80 -2.567 12.188 2.711 1.00 0.00 C ATOM 1230 C SER A 80 -1.765 11.131 3.465 1.00 0.00 C ATOM 1231 O SER A 80 -2.325 10.168 3.988 1.00 0.00 O ATOM 1232 CB SER A 80 -2.724 13.439 3.578 1.00 0.00 C ATOM 1233 OG SER A 80 -2.755 14.611 2.781 1.00 0.00 O ATOM 0 H SER A 80 -4.146 10.811 2.804 1.00 0.00 H new ATOM 0 HA SER A 80 -2.026 12.450 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.642 13.368 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.899 13.500 4.288 1.00 0.00 H new ATOM 0 HG SER A 80 -3.270 14.438 1.965 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.451 11.319 3.515 1.00 0.00 N ATOM 1240 CA TRP A 81 0.429 10.382 4.204 1.00 0.00 C ATOM 1241 C TRP A 81 1.496 11.123 5.002 1.00 0.00 C ATOM 1242 O TRP A 81 1.639 12.341 4.883 1.00 0.00 O ATOM 1243 CB TRP A 81 1.090 9.438 3.198 1.00 0.00 C ATOM 1244 CG TRP A 81 1.991 10.140 2.228 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.625 10.743 1.058 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.408 10.310 2.342 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.729 11.277 0.439 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.835 11.026 1.207 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.357 9.929 3.294 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.169 11.366 1.000 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.681 10.266 3.087 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.077 10.980 1.948 1.00 0.00 C ATOM 0 H TRP A 81 0.028 12.111 3.087 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.175 9.797 4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.665 8.687 3.739 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.315 8.908 2.645 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.616 10.793 0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.726 11.779 -0.449 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.061 9.381 4.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.476 11.915 0.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.423 9.974 3.815 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.119 11.230 1.816 1.00 0.00 H new ATOM 1263 N LEU A 82 2.242 10.383 5.814 1.00 0.00 N ATOM 1264 CA LEU A 82 3.298 10.971 6.631 1.00 0.00 C ATOM 1265 C LEU A 82 4.299 9.909 7.074 1.00 0.00 C ATOM 1266 O LEU A 82 3.996 8.716 7.069 1.00 0.00 O ATOM 1267 CB LEU A 82 2.695 11.662 7.856 1.00 0.00 C ATOM 1268 CG LEU A 82 2.242 10.743 8.990 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.378 10.508 9.974 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.031 11.330 9.701 1.00 0.00 C ATOM 0 H LEU A 82 2.136 9.375 5.925 1.00 0.00 H new ATOM 0 HA LEU A 82 3.824 11.709 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.432 12.360 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.839 12.253 7.530 1.00 0.00 H new ATOM 0 HG LEU A 82 1.956 9.783 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.036 9.851 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.217 10.043 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.696 11.461 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.722 10.662 10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.290 12.304 10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.212 11.445 8.991 1.00 0.00 H new ATOM 1282 N ILE A 83 5.492 10.352 7.457 1.00 0.00 N ATOM 1283 CA ILE A 83 6.537 9.440 7.905 1.00 0.00 C ATOM 1284 C ILE A 83 6.397 9.133 9.392 1.00 0.00 C ATOM 1285 O ILE A 83 6.126 10.023 10.197 1.00 0.00 O ATOM 1286 CB ILE A 83 7.940 10.017 7.641 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.166 10.199 6.139 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.007 9.111 8.237 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.282 11.165 5.808 1.00 0.00 C ATOM 0 H ILE A 83 5.759 11.336 7.466 1.00 0.00 H new ATOM 0 HA ILE A 83 6.419 8.520 7.333 1.00 0.00 H new ATOM 0 HB ILE A 83 8.011 10.993 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.391 9.230 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.242 10.553 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.993 9.533 8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.854 9.028 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.939 8.122 7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.385 11.244 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.050 12.146 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.216 10.802 6.236 1.00 0.00 H new ATOM 1301 N GLU A 84 6.587 7.866 9.750 1.00 0.00 N ATOM 1302 CA GLU A 84 6.483 7.443 11.141 1.00 0.00 C ATOM 1303 C GLU A 84 7.820 6.909 11.649 1.00 0.00 C ATOM 1304 O GLU A 84 8.330 5.906 11.151 1.00 0.00 O ATOM 1305 CB GLU A 84 5.404 6.369 11.291 1.00 0.00 C ATOM 1306 CG GLU A 84 4.017 6.933 11.555 1.00 0.00 C ATOM 1307 CD GLU A 84 3.114 5.948 12.272 1.00 0.00 C ATOM 1308 OE1 GLU A 84 3.644 5.024 12.924 1.00 0.00 O ATOM 1309 OE2 GLU A 84 1.878 6.101 12.182 1.00 0.00 O ATOM 0 H GLU A 84 6.813 7.116 9.096 1.00 0.00 H new ATOM 0 HA GLU A 84 6.207 8.312 11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.375 5.766 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.678 5.702 12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.105 7.840 12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.558 7.218 10.608 1.00 0.00 H new ATOM 1316 N ASP A 85 8.382 7.589 12.642 1.00 0.00 N ATOM 1317 CA ASP A 85 9.660 7.185 13.218 1.00 0.00 C ATOM 1318 C ASP A 85 10.758 7.185 12.160 1.00 0.00 C ATOM 1319 O ASP A 85 11.754 6.474 12.284 1.00 0.00 O ATOM 1320 CB ASP A 85 9.542 5.796 13.848 1.00 0.00 C ATOM 1321 CG ASP A 85 10.648 5.519 14.848 1.00 0.00 C ATOM 1322 OD1 ASP A 85 11.808 5.351 14.419 1.00 0.00 O ATOM 1323 OD2 ASP A 85 10.352 5.471 16.061 1.00 0.00 O ATOM 0 H ASP A 85 7.973 8.422 13.065 1.00 0.00 H new ATOM 0 HA ASP A 85 9.926 7.906 13.991 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.576 5.706 14.345 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.568 5.040 13.063 1.00 0.00 H new ATOM 1328 N GLY A 86 10.568 7.988 11.117 1.00 0.00 N ATOM 1329 CA GLY A 86 11.549 8.065 10.051 1.00 0.00 C ATOM 1330 C GLY A 86 11.981 6.697 9.560 1.00 0.00 C ATOM 1331 O GLY A 86 13.010 6.562 8.898 1.00 0.00 O ATOM 0 H GLY A 86 9.752 8.587 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.132 8.631 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.422 8.613 10.404 1.00 0.00 H new ATOM 1335 N LYS A 87 11.193 5.678 9.886 1.00 0.00 N ATOM 1336 CA LYS A 87 11.498 4.313 9.475 1.00 0.00 C ATOM 1337 C LYS A 87 10.284 3.655 8.826 1.00 0.00 C ATOM 1338 O LYS A 87 10.392 2.589 8.221 1.00 0.00 O ATOM 1339 CB LYS A 87 11.956 3.486 10.678 1.00 0.00 C ATOM 1340 CG LYS A 87 11.001 3.547 11.857 1.00 0.00 C ATOM 1341 CD LYS A 87 10.917 2.211 12.576 1.00 0.00 C ATOM 1342 CE LYS A 87 11.928 2.122 13.709 1.00 0.00 C ATOM 1343 NZ LYS A 87 12.254 0.711 14.053 1.00 0.00 N ATOM 0 H LYS A 87 10.338 5.772 10.434 1.00 0.00 H new ATOM 0 HA LYS A 87 12.303 4.353 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.074 2.447 10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.937 3.837 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.331 4.317 12.555 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.010 3.837 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.911 2.073 12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.093 1.403 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.840 2.646 13.423 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.532 2.628 14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.946 0.694 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.388 0.217 14.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.656 0.235 13.220 1.00 0.00 H new ATOM 1357 N VAL A 88 9.128 4.300 8.956 1.00 0.00 N ATOM 1358 CA VAL A 88 7.894 3.779 8.380 1.00 0.00 C ATOM 1359 C VAL A 88 7.153 4.859 7.600 1.00 0.00 C ATOM 1360 O VAL A 88 7.372 6.052 7.810 1.00 0.00 O ATOM 1361 CB VAL A 88 6.961 3.216 9.469 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.731 2.579 8.840 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.703 2.214 10.340 1.00 0.00 C ATOM 0 H VAL A 88 9.021 5.183 9.455 1.00 0.00 H new ATOM 0 HA VAL A 88 8.176 2.974 7.701 1.00 0.00 H new ATOM 0 HB VAL A 88 6.631 4.040 10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.083 2.187 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.189 3.327 8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.038 1.766 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.029 1.826 11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.063 1.391 9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.550 2.705 10.819 1.00 0.00 H new ATOM 1373 N VAL A 89 6.274 4.433 6.699 1.00 0.00 N ATOM 1374 CA VAL A 89 5.498 5.363 5.888 1.00 0.00 C ATOM 1375 C VAL A 89 4.010 5.036 5.947 1.00 0.00 C ATOM 1376 O VAL A 89 3.550 4.069 5.340 1.00 0.00 O ATOM 1377 CB VAL A 89 5.958 5.345 4.418 1.00 0.00 C ATOM 1378 CG1 VAL A 89 4.972 6.100 3.540 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.356 5.932 4.290 1.00 0.00 C ATOM 0 H VAL A 89 6.081 3.449 6.512 1.00 0.00 H new ATOM 0 HA VAL A 89 5.665 6.358 6.301 1.00 0.00 H new ATOM 0 HB VAL A 89 5.991 4.310 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.314 6.076 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.990 5.631 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.904 7.135 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.665 5.911 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.352 6.962 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.054 5.344 4.886 1.00 0.00 H new ATOM 1389 N THR A 90 3.260 5.850 6.684 1.00 0.00 N ATOM 1390 CA THR A 90 1.823 5.647 6.824 1.00 0.00 C ATOM 1391 C THR A 90 1.049 6.489 5.816 1.00 0.00 C ATOM 1392 O THR A 90 1.300 7.685 5.667 1.00 0.00 O ATOM 1393 CB THR A 90 1.343 5.997 8.245 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.734 7.333 8.580 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.917 5.025 9.265 1.00 0.00 C ATOM 0 H THR A 90 3.624 6.656 7.193 1.00 0.00 H new ATOM 0 HA THR A 90 1.632 4.591 6.634 1.00 0.00 H new ATOM 0 HB THR A 90 0.256 5.921 8.266 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.423 7.548 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.564 5.292 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.593 4.012 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.006 5.073 9.241 1.00 0.00 H new ATOM 1403 N VAL A 91 0.104 5.857 5.126 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.709 6.548 4.133 1.00 0.00 C ATOM 1405 C VAL A 91 -2.192 6.452 4.474 1.00 0.00 C ATOM 1406 O VAL A 91 -2.741 5.357 4.602 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.479 5.976 2.722 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.196 6.820 1.680 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.009 5.889 2.419 1.00 0.00 C ATOM 0 H VAL A 91 -0.117 4.867 5.237 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.403 7.594 4.146 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.893 4.968 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.022 6.400 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.266 6.825 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.815 7.841 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.153 5.483 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.450 6.884 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.491 5.238 3.148 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.837 7.605 4.619 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.258 7.651 4.944 1.00 0.00 C ATOM 1421 C HIS A 92 -5.101 7.780 3.679 1.00 0.00 C ATOM 1422 O HIS A 92 -5.035 8.791 2.977 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.550 8.819 5.887 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.940 9.360 5.757 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.950 9.062 6.648 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.486 10.186 4.834 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.057 9.681 6.278 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.802 10.370 5.180 1.00 0.00 N ATOM 0 H HIS A 92 -2.398 8.520 4.517 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.522 6.718 5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.390 8.494 6.915 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.837 9.620 5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.981 10.620 3.984 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.008 9.632 6.787 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.474 10.945 4.672 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.891 6.752 3.392 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.746 6.750 2.210 1.00 0.00 C ATOM 1439 C LEU A 93 -8.195 7.040 2.587 1.00 0.00 C ATOM 1440 O LEU A 93 -8.830 6.261 3.296 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.654 5.402 1.492 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.293 5.055 0.888 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.230 3.579 0.528 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.018 5.917 -0.336 1.00 0.00 C ATOM 0 H LEU A 93 -5.958 5.909 3.962 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.399 7.536 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.926 4.618 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.398 5.386 0.695 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.523 5.259 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.254 3.350 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.382 2.979 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.009 3.348 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.045 5.657 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.792 5.744 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.020 6.968 -0.048 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.712 8.167 2.106 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.087 8.559 2.391 1.00 0.00 C ATOM 1458 C GLU A 94 -11.058 7.875 1.433 1.00 0.00 C ATOM 1459 O GLU A 94 -10.933 7.994 0.214 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.240 10.078 2.290 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.352 10.637 3.161 1.00 0.00 C ATOM 1462 CD GLU A 94 -11.093 12.069 3.590 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -10.110 12.298 4.325 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -11.873 12.958 3.192 1.00 0.00 O ATOM 0 H GLU A 94 -8.199 8.824 1.518 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.323 8.244 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.298 10.549 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.433 10.347 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.294 10.590 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.465 10.011 4.046 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.026 7.157 1.993 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.020 6.453 1.191 1.00 0.00 C ATOM 1473 C LYS A 95 -14.124 7.402 0.738 1.00 0.00 C ATOM 1474 O LYS A 95 -14.788 8.034 1.560 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.623 5.296 1.990 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.665 4.136 2.200 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.315 3.012 2.989 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.276 2.057 3.557 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.907 0.883 4.221 1.00 0.00 N ATOM 0 H LYS A 95 -12.143 7.047 3.000 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.522 6.055 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.949 5.668 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.512 4.933 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.332 3.758 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.778 4.486 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.908 3.432 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.002 2.463 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.622 1.713 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.649 2.587 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.460 0.726 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.923 1.063 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.780 0.039 3.627 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.315 7.497 -0.574 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.341 8.367 -1.135 1.00 0.00 C ATOM 1495 C ILE A 96 -16.651 8.240 -0.365 1.00 0.00 C ATOM 1496 O ILE A 96 -17.357 9.226 -0.154 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.599 8.048 -2.620 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.411 8.497 -3.474 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.880 8.719 -3.091 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.187 9.993 -3.458 1.00 0.00 C ATOM 0 H ILE A 96 -13.773 6.982 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.970 9.388 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.715 6.970 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.509 7.999 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.570 8.172 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.049 8.484 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.720 8.356 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.791 9.799 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.329 10.239 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.074 10.498 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.996 10.321 -2.436 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.969 7.020 0.054 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.194 6.764 0.803 1.00 0.00 C ATOM 1514 C ASN A 97 -17.885 6.099 2.141 1.00 0.00 C ATOM 1515 O ASN A 97 -17.283 5.026 2.189 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.140 5.880 -0.013 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.773 6.626 -1.171 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -19.343 6.496 -2.317 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.802 7.412 -0.877 1.00 0.00 N ATOM 0 H ASN A 97 -16.396 6.193 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.679 7.721 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.590 5.020 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.924 5.493 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.269 7.938 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -21.125 7.490 0.087 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.302 6.742 3.226 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.073 6.214 4.565 1.00 0.00 C ATOM 1528 C LYS A 98 -18.944 4.989 4.823 1.00 0.00 C ATOM 1529 O LYS A 98 -18.768 4.290 5.821 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.361 7.289 5.616 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.597 8.582 5.388 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.153 8.464 5.845 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.300 9.596 5.293 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.033 9.431 3.837 1.00 0.00 N ATOM 0 H LYS A 98 -18.801 7.631 3.204 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.027 5.916 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.430 7.504 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.111 6.898 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.625 8.840 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.085 9.394 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.113 8.474 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.744 7.507 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.804 10.547 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.354 9.635 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.036 9.651 3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.233 8.450 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.644 10.077 3.297 1.00 0.00 H new ATOM 1548 N MET A 99 -19.883 4.735 3.918 1.00 0.00 N ATOM 1549 CA MET A 99 -20.780 3.592 4.047 1.00 0.00 C ATOM 1550 C MET A 99 -20.372 2.471 3.097 1.00 0.00 C ATOM 1551 O MET A 99 -21.222 1.762 2.560 1.00 0.00 O ATOM 1552 CB MET A 99 -22.223 4.015 3.766 1.00 0.00 C ATOM 1553 CG MET A 99 -22.777 5.001 4.783 1.00 0.00 C ATOM 1554 SD MET A 99 -22.663 4.391 6.475 1.00 0.00 S ATOM 1555 CE MET A 99 -21.645 5.660 7.225 1.00 0.00 C ATOM 0 H MET A 99 -20.043 5.305 3.087 1.00 0.00 H new ATOM 0 HA MET A 99 -20.711 3.221 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.275 4.462 2.773 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.856 3.128 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.234 5.943 4.703 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.820 5.213 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 99 -21.863 5.718 8.291 1.00 0.00 H new ATOM 0 HE2 MET A 99 -20.593 5.414 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 99 -21.859 6.621 6.758 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.067 2.317 2.896 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.549 1.282 2.009 1.00 0.00 C ATOM 1567 C GLU A 100 -17.368 0.558 2.650 1.00 0.00 C ATOM 1568 O GLU A 100 -16.586 1.157 3.389 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.123 1.891 0.672 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.676 0.861 -0.352 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.831 0.304 -1.161 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.796 -0.200 -0.548 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.771 0.371 -2.406 1.00 0.00 O ATOM 0 H GLU A 100 -18.350 2.895 3.335 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.345 0.558 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.956 2.462 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.309 2.595 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.951 1.316 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.167 0.043 0.159 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.246 -0.732 2.362 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.162 -1.539 2.910 1.00 0.00 C ATOM 1582 C TRP A 101 -15.163 -1.919 1.823 1.00 0.00 C ATOM 1583 O TRP A 101 -15.477 -1.870 0.634 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.720 -2.800 3.571 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.131 -2.592 4.997 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.403 -2.427 5.467 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.268 -2.523 6.137 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.382 -2.260 6.831 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.084 -2.317 7.266 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.885 -2.619 6.314 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.561 -2.203 8.551 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.367 -2.506 7.590 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.203 -2.300 8.695 1.00 0.00 C ATOM 0 H TRP A 101 -17.885 -1.242 1.752 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.644 -0.943 3.661 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.580 -3.150 3.000 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.967 -3.587 3.529 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.294 -2.428 4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.200 -2.117 7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.233 -2.779 5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.204 -2.044 9.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.300 -2.578 7.738 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.768 -2.216 9.680 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.959 -2.297 2.238 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.914 -2.686 1.298 1.00 0.00 C ATOM 1606 C TRP A 102 -12.494 -4.135 1.519 1.00 0.00 C ATOM 1607 O TRP A 102 -12.275 -4.561 2.652 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.702 -1.764 1.440 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.876 -0.445 0.750 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.998 0.333 0.739 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.897 0.249 -0.032 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.776 1.469 -0.001 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.495 1.442 -0.484 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.574 -0.020 -0.391 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.814 2.361 -1.278 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.899 0.893 -1.179 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.519 2.072 -1.615 1.00 0.00 C ATOM 0 H TRP A 102 -13.682 -2.342 3.219 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.316 -2.594 0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.509 -1.590 2.499 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.823 -2.265 1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.924 0.091 1.239 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.455 2.212 -0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.087 -0.925 -0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.290 3.269 -1.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.876 0.695 -1.464 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.964 2.766 -2.229 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.384 -4.888 0.429 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.990 -6.290 0.506 1.00 0.00 C ATOM 1630 C ASN A 103 -10.501 -6.454 0.215 1.00 0.00 C ATOM 1631 O ASN A 103 -9.924 -7.515 0.456 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.809 -7.126 -0.480 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.200 -8.493 -0.724 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -12.656 -9.496 -0.174 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -11.163 -8.540 -1.552 1.00 0.00 N ATOM 0 H ASN A 103 -12.562 -4.551 -0.517 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.185 -6.641 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.822 -7.246 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.888 -6.592 -1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.712 -9.432 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.818 -7.684 -1.986 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.885 -5.396 -0.304 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.464 -5.423 -0.628 1.00 0.00 C ATOM 1644 C ARG A 104 -7.953 -4.020 -0.944 1.00 0.00 C ATOM 1645 O ARG A 104 -8.503 -3.325 -1.799 1.00 0.00 O ATOM 1646 CB ARG A 104 -8.208 -6.350 -1.817 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.754 -5.820 -3.133 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.763 -6.896 -4.207 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.972 -6.337 -5.540 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.180 -7.077 -6.623 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -9.208 -8.400 -6.531 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.362 -6.495 -7.801 1.00 0.00 N ATOM 0 H ARG A 104 -10.348 -4.510 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.925 -5.801 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.134 -6.510 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.657 -7.322 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.767 -5.446 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.148 -4.977 -3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.817 -7.438 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.549 -7.619 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.957 -5.323 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.070 -8.851 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.368 -8.966 -7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.342 -5.478 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.522 -7.065 -8.632 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.898 -3.611 -0.249 1.00 0.00 N ATOM 1667 CA LEU A 105 -6.311 -2.291 -0.454 1.00 0.00 C ATOM 1668 C LEU A 105 -6.166 -1.985 -1.941 1.00 0.00 C ATOM 1669 O LEU A 105 -6.578 -0.924 -2.411 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.947 -2.205 0.231 1.00 0.00 C ATOM 1671 CG LEU A 105 -4.398 -0.796 0.461 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -3.395 -0.793 1.603 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -3.761 -0.258 -0.812 1.00 0.00 C ATOM 0 H LEU A 105 -6.431 -4.174 0.462 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.979 -1.551 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.015 -2.709 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.226 -2.761 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.228 -0.144 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.016 0.218 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.882 -1.135 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.567 -1.459 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.376 0.745 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.943 -0.912 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.508 -0.222 -1.605 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.579 -2.922 -2.679 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.383 -2.755 -4.114 1.00 0.00 C ATOM 1687 C VAL A 106 -5.512 -4.086 -4.845 1.00 0.00 C ATOM 1688 O VAL A 106 -5.452 -5.153 -4.232 1.00 0.00 O ATOM 1689 CB VAL A 106 -4.004 -2.143 -4.424 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -4.013 -0.644 -4.161 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.921 -2.829 -3.605 1.00 0.00 C ATOM 0 H VAL A 106 -5.231 -3.805 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.161 -2.076 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.785 -2.301 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.030 -0.229 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.761 -0.168 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.254 -0.460 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.953 -2.384 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.133 -2.704 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.899 -3.891 -3.848 1.00 0.00 H new ATOM 1701 N THR A 107 -5.688 -4.018 -6.161 1.00 0.00 N ATOM 1702 CA THR A 107 -5.826 -5.217 -6.977 1.00 0.00 C ATOM 1703 C THR A 107 -4.602 -6.116 -6.844 1.00 0.00 C ATOM 1704 O THR A 107 -4.621 -7.272 -7.267 1.00 0.00 O ATOM 1705 CB THR A 107 -6.032 -4.866 -8.462 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.839 -4.283 -8.998 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.195 -3.900 -8.634 1.00 0.00 C ATOM 0 H THR A 107 -5.738 -3.144 -6.684 1.00 0.00 H new ATOM 0 HA THR A 107 -6.705 -5.748 -6.612 1.00 0.00 H new ATOM 0 HB THR A 107 -6.261 -5.785 -9.001 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.978 -4.064 -9.943 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.321 -3.667 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.108 -4.358 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.991 -2.983 -8.082 1.00 0.00 H new ATOM 1715 N SER A 108 -3.540 -5.578 -6.255 1.00 0.00 N ATOM 1716 CA SER A 108 -2.305 -6.332 -6.069 1.00 0.00 C ATOM 1717 C SER A 108 -2.199 -6.857 -4.641 1.00 0.00 C ATOM 1718 O SER A 108 -1.109 -6.925 -4.072 1.00 0.00 O ATOM 1719 CB SER A 108 -1.094 -5.455 -6.394 1.00 0.00 C ATOM 1720 OG SER A 108 -1.093 -5.071 -7.758 1.00 0.00 O ATOM 0 H SER A 108 -3.509 -4.623 -5.898 1.00 0.00 H new ATOM 0 HA SER A 108 -2.321 -7.183 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.105 -4.566 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.177 -5.997 -6.165 1.00 0.00 H new ATOM 0 HG SER A 108 -0.601 -4.230 -7.861 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.338 -7.228 -4.067 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.375 -7.748 -2.706 1.00 0.00 C ATOM 1728 C ASP A 109 -4.378 -8.891 -2.588 1.00 0.00 C ATOM 1729 O ASP A 109 -5.363 -8.963 -3.323 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.733 -6.635 -1.720 1.00 0.00 C ATOM 1731 CG ASP A 109 -4.514 -7.147 -0.526 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -5.669 -7.581 -0.715 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -3.970 -7.113 0.598 1.00 0.00 O ATOM 0 H ASP A 109 -4.249 -7.178 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.384 -8.131 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.819 -6.154 -1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.319 -5.873 -2.234 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.124 -9.807 -1.641 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.994 -10.963 -1.405 1.00 0.00 C ATOM 1740 C PRO A 110 -6.335 -10.566 -0.798 1.00 0.00 C ATOM 1741 O PRO A 110 -6.398 -9.707 0.081 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.191 -11.815 -0.418 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.302 -10.846 0.282 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.968 -9.784 -0.729 1.00 0.00 C ATOM 0 HA PRO A 110 -5.244 -11.480 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.846 -12.330 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.613 -12.581 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.801 -10.415 1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.399 -11.337 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.845 -8.808 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.038 -10.006 -1.253 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.404 -11.196 -1.273 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.744 -10.907 -0.776 1.00 0.00 C ATOM 1754 C GLU A 111 -8.913 -11.407 0.656 1.00 0.00 C ATOM 1755 O GLU A 111 -8.179 -12.286 1.108 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.798 -11.550 -1.680 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.718 -11.094 -3.128 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.776 -11.946 -3.956 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -9.201 -13.027 -4.415 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -7.613 -11.531 -4.146 1.00 0.00 O ATOM 0 H GLU A 111 -7.369 -11.910 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.881 -9.826 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.685 -12.633 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.789 -11.319 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.714 -11.125 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.387 -10.056 -3.161 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.885 -10.840 1.363 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.151 -11.229 2.743 1.00 0.00 C ATOM 1769 C ILE A 112 -11.647 -11.388 2.990 1.00 0.00 C ATOM 1770 O ILE A 112 -12.451 -10.577 2.534 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.584 -10.198 3.737 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.027 -8.786 3.349 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.066 -10.288 3.786 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.982 -7.801 4.497 1.00 0.00 C ATOM 0 H ILE A 112 -10.501 -10.111 1.004 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.655 -12.186 2.903 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.974 -10.421 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.389 -8.422 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -11.043 -8.828 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.681 -9.553 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.771 -11.288 4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.657 -10.088 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.309 -6.821 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.642 -8.142 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.962 -7.730 4.875 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.012 -12.438 3.718 1.00 0.00 N ATOM 1787 CA ASN A 113 -13.412 -12.703 4.028 1.00 0.00 C ATOM 1788 C ASN A 113 -13.998 -11.592 4.894 1.00 0.00 C ATOM 1789 O ASN A 113 -13.896 -11.625 6.121 1.00 0.00 O ATOM 1790 CB ASN A 113 -13.552 -14.049 4.743 1.00 0.00 C ATOM 1791 CG ASN A 113 -14.906 -14.213 5.407 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -15.090 -13.845 6.567 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -15.861 -14.769 4.671 1.00 0.00 N ATOM 0 H ASN A 113 -11.358 -13.119 4.104 1.00 0.00 H new ATOM 0 HA ASN A 113 -13.965 -12.738 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.402 -14.856 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -12.768 -14.141 5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.793 -14.906 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.663 -15.059 3.713 1.00 0.00 H new ATOM 1800 N THR A 114 -14.613 -10.607 4.246 1.00 0.00 N ATOM 1801 CA THR A 114 -15.214 -9.484 4.955 1.00 0.00 C ATOM 1802 C THR A 114 -16.610 -9.836 5.458 1.00 0.00 C ATOM 1803 O THR A 114 -17.451 -10.320 4.700 1.00 0.00 O ATOM 1804 CB THR A 114 -15.304 -8.236 4.058 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.191 -8.483 2.961 1.00 0.00 O ATOM 1806 CG2 THR A 114 -13.931 -7.850 3.529 1.00 0.00 C ATOM 0 H THR A 114 -14.708 -10.565 3.231 1.00 0.00 H new ATOM 0 HA THR A 114 -14.568 -9.265 5.805 1.00 0.00 H new ATOM 0 HB THR A 114 -15.690 -7.412 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 114 -16.844 -9.168 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.020 -6.966 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.266 -7.634 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.522 -8.674 2.944 1.00 0.00 H new ATOM 1814 N LYS A 115 -16.851 -9.589 6.741 1.00 0.00 N ATOM 1815 CA LYS A 115 -18.146 -9.878 7.346 1.00 0.00 C ATOM 1816 C LYS A 115 -19.135 -8.747 7.080 1.00 0.00 C ATOM 1817 O LYS A 115 -20.174 -8.953 6.455 1.00 0.00 O ATOM 1818 CB LYS A 115 -17.992 -10.091 8.853 1.00 0.00 C ATOM 1819 CG LYS A 115 -17.354 -11.421 9.217 1.00 0.00 C ATOM 1820 CD LYS A 115 -16.859 -11.428 10.654 1.00 0.00 C ATOM 1821 CE LYS A 115 -15.692 -12.386 10.837 1.00 0.00 C ATOM 1822 NZ LYS A 115 -14.454 -11.884 10.178 1.00 0.00 N ATOM 0 H LYS A 115 -16.166 -9.189 7.382 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.534 -10.791 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.388 -9.283 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.974 -10.028 9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.078 -12.223 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.521 -11.622 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.553 -10.422 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.674 -11.714 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.504 -12.531 11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.954 -13.360 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -13.624 -12.345 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.490 -12.101 9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -14.383 -10.855 10.310 1.00 0.00 H new ATOM 1836 N SER A 116 -18.803 -7.552 7.559 1.00 0.00 N ATOM 1837 CA SER A 116 -19.663 -6.389 7.375 1.00 0.00 C ATOM 1838 C SER A 116 -19.835 -6.070 5.893 1.00 0.00 C ATOM 1839 O SER A 116 -18.978 -6.394 5.073 1.00 0.00 O ATOM 1840 CB SER A 116 -19.080 -5.177 8.105 1.00 0.00 C ATOM 1841 OG SER A 116 -20.092 -4.235 8.417 1.00 0.00 O ATOM 0 H SER A 116 -17.945 -7.364 8.077 1.00 0.00 H new ATOM 0 HA SER A 116 -20.642 -6.621 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.587 -5.503 9.021 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.319 -4.705 7.483 1.00 0.00 H new ATOM 0 HG SER A 116 -19.695 -3.471 8.884 1.00 0.00 H new ATOM 1847 N GLY A 117 -20.953 -5.432 5.558 1.00 0.00 N ATOM 1848 CA GLY A 117 -21.219 -5.079 4.176 1.00 0.00 C ATOM 1849 C GLY A 117 -22.356 -4.085 4.040 1.00 0.00 C ATOM 1850 O GLY A 117 -22.144 -2.897 3.798 1.00 0.00 O ATOM 0 H GLY A 117 -21.678 -5.154 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -20.317 -4.658 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -21.460 -5.981 3.614 1.00 0.00 H new ATOM 1854 N PRO A 118 -23.595 -4.574 4.195 1.00 0.00 N ATOM 1855 CA PRO A 118 -24.795 -3.737 4.092 1.00 0.00 C ATOM 1856 C PRO A 118 -24.925 -2.764 5.259 1.00 0.00 C ATOM 1857 O PRO A 118 -24.131 -2.797 6.198 1.00 0.00 O ATOM 1858 CB PRO A 118 -25.939 -4.753 4.111 1.00 0.00 C ATOM 1859 CG PRO A 118 -25.385 -5.934 4.831 1.00 0.00 C ATOM 1860 CD PRO A 118 -23.922 -5.980 4.485 1.00 0.00 C ATOM 0 HA PRO A 118 -24.780 -3.110 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -26.815 -4.353 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -26.252 -5.016 3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -25.529 -5.838 5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -25.888 -6.851 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -23.326 -6.369 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -23.733 -6.622 3.625 1.00 0.00 H new ATOM 1868 N SER A 119 -25.933 -1.900 5.193 1.00 0.00 N ATOM 1869 CA SER A 119 -26.166 -0.915 6.243 1.00 0.00 C ATOM 1870 C SER A 119 -26.936 -1.533 7.406 1.00 0.00 C ATOM 1871 O SER A 119 -28.139 -1.775 7.309 1.00 0.00 O ATOM 1872 CB SER A 119 -26.936 0.284 5.686 1.00 0.00 C ATOM 1873 OG SER A 119 -26.139 1.024 4.777 1.00 0.00 O ATOM 0 H SER A 119 -26.601 -1.862 4.423 1.00 0.00 H new ATOM 0 HA SER A 119 -25.197 -0.576 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 119 -27.840 -0.061 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 119 -27.253 0.929 6.505 1.00 0.00 H new ATOM 0 HG SER A 119 -26.654 1.784 4.434 1.00 0.00 H new ATOM 1879 N SER A 120 -26.233 -1.786 8.505 1.00 0.00 N ATOM 1880 CA SER A 120 -26.849 -2.380 9.686 1.00 0.00 C ATOM 1881 C SER A 120 -27.931 -1.465 10.253 1.00 0.00 C ATOM 1882 O SER A 120 -27.666 -0.316 10.605 1.00 0.00 O ATOM 1883 CB SER A 120 -25.790 -2.658 10.754 1.00 0.00 C ATOM 1884 OG SER A 120 -25.455 -1.476 11.460 1.00 0.00 O ATOM 0 H SER A 120 -25.237 -1.589 8.602 1.00 0.00 H new ATOM 0 HA SER A 120 -27.312 -3.321 9.389 1.00 0.00 H new ATOM 0 HB2 SER A 120 -26.161 -3.409 11.451 1.00 0.00 H new ATOM 0 HB3 SER A 120 -24.897 -3.071 10.286 1.00 0.00 H new ATOM 0 HG SER A 120 -25.986 -0.728 11.116 1.00 0.00 H new ATOM 1890 N GLY A 121 -29.152 -1.984 10.337 1.00 0.00 N ATOM 1891 CA GLY A 121 -30.256 -1.202 10.861 1.00 0.00 C ATOM 1892 C GLY A 121 -31.593 -1.629 10.288 1.00 0.00 C ATOM 1893 O GLY A 121 -31.666 -2.575 9.504 1.00 0.00 O ATOM 0 H GLY A 121 -29.396 -2.932 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -30.282 -1.298 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -30.089 -0.148 10.638 1.00 0.00 H new TER 1897 GLY A 121