USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= 0.844 K(o=2.6,f=-0.88!) USER MOD Set 1.2: A 75 TYR OH : rot 150:sc= 0.535 USER MOD Set 1.3: A 81 ASN : amide:sc= 1.2 K(o=2.6,f=-0.88) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 179:sc= 0.893 (180deg=0) USER MOD Set 2.2: A 21 THR OG1 : rot -93:sc= 0.886 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.816 K(o=0.82,f=-2.7!) USER MOD Single : A 5 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.0082) USER MOD Single : A 6 HIS : no HE2:sc= 0.981 K(o=0.98,f=-3!) USER MOD Single : A 7 HIS : no HE2:sc= 0.409 K(o=0.41,f=-2.4!) USER MOD Single : A 8 HIS : no HE2:sc= 0.755 K(o=0.75,f=-3!) USER MOD Single : A 11 SER OG : rot -140:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0275) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 43 GLN : amide:sc= 0.662 K(o=0.66,f=-4.1!) USER MOD Single : A 51 HIS : no HE2:sc= 1.38 K(o=1.4,f=-8.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.72 K(o=0.72,f=-6.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0137 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.591 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.0755 K(o=0.075,f=-6.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.681 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0.326 K(o=0.33,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.201 -6.496 -4.500 1.00 0.00 N ATOM 2 CA MET A 1 -33.282 -6.514 -3.485 1.00 0.00 C ATOM 3 C MET A 1 -33.359 -5.159 -2.766 1.00 0.00 C ATOM 4 O MET A 1 -34.216 -4.339 -3.106 1.00 0.00 O ATOM 5 CB MET A 1 -33.156 -7.721 -2.527 1.00 0.00 C ATOM 6 CG MET A 1 -34.340 -7.841 -1.556 1.00 0.00 C ATOM 7 SD MET A 1 -35.968 -8.021 -2.345 1.00 0.00 S ATOM 8 CE MET A 1 -37.009 -8.141 -0.864 1.00 0.00 C ATOM 0 H1 MET A 1 -32.159 -7.418 -4.979 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.394 -5.751 -5.199 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.291 -6.306 -4.034 1.00 0.00 H new ATOM 0 HA MET A 1 -34.237 -6.657 -3.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.079 -8.637 -3.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 -32.232 -7.630 -1.956 1.00 0.00 H new ATOM 0 HG2 MET A 1 -34.171 -8.700 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.358 -6.957 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 -38.052 -8.257 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.702 -9.003 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -36.900 -7.235 -0.268 1.00 0.00 H new ATOM 20 N GLY A 2 -32.485 -4.895 -1.787 1.00 0.00 N ATOM 21 CA GLY A 2 -32.455 -3.653 -1.022 1.00 0.00 C ATOM 22 C GLY A 2 -31.329 -3.701 0.010 1.00 0.00 C ATOM 23 O GLY A 2 -30.624 -4.709 0.107 1.00 0.00 O ATOM 0 H GLY A 2 -31.764 -5.558 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -32.308 -2.807 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -33.411 -3.501 -0.522 1.00 0.00 H new ATOM 27 N HIS A 3 -31.178 -2.614 0.776 1.00 0.00 N ATOM 28 CA HIS A 3 -30.119 -2.409 1.768 1.00 0.00 C ATOM 29 C HIS A 3 -28.732 -2.791 1.213 1.00 0.00 C ATOM 30 O HIS A 3 -27.970 -3.539 1.833 1.00 0.00 O ATOM 31 CB HIS A 3 -30.499 -3.089 3.097 1.00 0.00 C ATOM 32 CG HIS A 3 -29.688 -2.604 4.275 1.00 0.00 C ATOM 33 ND1 HIS A 3 -29.829 -1.395 4.922 1.00 0.00 N ATOM 34 CD2 HIS A 3 -28.676 -3.280 4.904 1.00 0.00 C ATOM 35 CE1 HIS A 3 -28.924 -1.345 5.915 1.00 0.00 C ATOM 36 NE2 HIS A 3 -28.191 -2.475 5.945 1.00 0.00 N ATOM 0 H HIS A 3 -31.817 -1.821 0.718 1.00 0.00 H new ATOM 0 HA HIS A 3 -30.029 -1.346 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -31.556 -2.913 3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -30.369 -4.166 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -28.314 -4.264 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -28.802 -0.514 6.594 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -27.436 -2.700 6.593 1.00 0.00 H new ATOM 44 N HIS A 4 -28.432 -2.310 0.001 1.00 0.00 N ATOM 45 CA HIS A 4 -27.134 -2.493 -0.643 1.00 0.00 C ATOM 46 C HIS A 4 -26.030 -1.844 0.208 1.00 0.00 C ATOM 47 O HIS A 4 -26.294 -0.924 0.991 1.00 0.00 O ATOM 48 CB HIS A 4 -27.190 -1.893 -2.059 1.00 0.00 C ATOM 49 CG HIS A 4 -26.013 -2.249 -2.936 1.00 0.00 C ATOM 50 ND1 HIS A 4 -24.814 -1.576 -3.015 1.00 0.00 N ATOM 51 CD2 HIS A 4 -25.942 -3.300 -3.812 1.00 0.00 C ATOM 52 CE1 HIS A 4 -24.036 -2.210 -3.909 1.00 0.00 C ATOM 53 NE2 HIS A 4 -24.682 -3.271 -4.428 1.00 0.00 N ATOM 0 H HIS A 4 -29.094 -1.777 -0.563 1.00 0.00 H new ATOM 0 HA HIS A 4 -26.899 -3.554 -0.727 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -28.105 -2.229 -2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -27.252 -0.808 -1.978 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -24.560 -0.741 -2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -26.721 -4.025 -3.996 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -23.033 -1.910 -4.174 1.00 0.00 H new ATOM 61 N HIS A 5 -24.783 -2.294 0.029 1.00 0.00 N ATOM 62 CA HIS A 5 -23.613 -1.652 0.619 1.00 0.00 C ATOM 63 C HIS A 5 -23.551 -0.181 0.181 1.00 0.00 C ATOM 64 O HIS A 5 -23.932 0.160 -0.944 1.00 0.00 O ATOM 65 CB HIS A 5 -22.341 -2.414 0.220 1.00 0.00 C ATOM 66 CG HIS A 5 -21.087 -1.832 0.826 1.00 0.00 C ATOM 67 ND1 HIS A 5 -20.751 -1.820 2.163 1.00 0.00 N ATOM 68 CD2 HIS A 5 -20.093 -1.170 0.155 1.00 0.00 C ATOM 69 CE1 HIS A 5 -19.583 -1.166 2.293 1.00 0.00 C ATOM 70 NE2 HIS A 5 -19.137 -0.752 1.091 1.00 0.00 N ATOM 0 H HIS A 5 -24.561 -3.117 -0.532 1.00 0.00 H new ATOM 0 HA HIS A 5 -23.690 -1.677 1.706 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -22.437 -3.455 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -22.248 -2.410 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.053 -1.000 -0.911 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.074 -0.996 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.277 -0.238 0.900 1.00 0.00 H new ATOM 78 N HIS A 6 -23.066 0.682 1.070 1.00 0.00 N ATOM 79 CA HIS A 6 -23.032 2.129 0.912 1.00 0.00 C ATOM 80 C HIS A 6 -21.897 2.685 1.780 1.00 0.00 C ATOM 81 O HIS A 6 -21.350 1.970 2.626 1.00 0.00 O ATOM 82 CB HIS A 6 -24.400 2.725 1.304 1.00 0.00 C ATOM 83 CG HIS A 6 -24.931 2.273 2.647 1.00 0.00 C ATOM 84 ND1 HIS A 6 -25.657 1.126 2.892 1.00 0.00 N ATOM 85 CD2 HIS A 6 -24.801 2.927 3.842 1.00 0.00 C ATOM 86 CE1 HIS A 6 -25.946 1.087 4.202 1.00 0.00 C ATOM 87 NE2 HIS A 6 -25.443 2.167 4.830 1.00 0.00 N ATOM 0 H HIS A 6 -22.669 0.376 1.958 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.842 2.403 -0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.318 3.812 1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -25.127 2.464 0.535 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -25.927 0.429 2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.292 3.867 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -26.504 0.299 4.685 1.00 0.00 H new ATOM 95 N HIS A 7 -21.542 3.955 1.564 1.00 0.00 N ATOM 96 CA HIS A 7 -20.477 4.640 2.292 1.00 0.00 C ATOM 97 C HIS A 7 -20.739 4.642 3.805 1.00 0.00 C ATOM 98 O HIS A 7 -21.894 4.630 4.246 1.00 0.00 O ATOM 99 CB HIS A 7 -20.308 6.070 1.743 1.00 0.00 C ATOM 100 CG HIS A 7 -21.558 6.926 1.728 1.00 0.00 C ATOM 101 ND1 HIS A 7 -22.628 6.855 2.596 1.00 0.00 N ATOM 102 CD2 HIS A 7 -21.834 7.934 0.842 1.00 0.00 C ATOM 103 CE1 HIS A 7 -23.524 7.790 2.240 1.00 0.00 C ATOM 104 NE2 HIS A 7 -23.085 8.479 1.170 1.00 0.00 N ATOM 0 H HIS A 7 -21.996 4.544 0.866 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.545 4.097 2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.550 6.579 2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -19.924 6.004 0.725 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -22.722 6.204 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -21.198 8.254 0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -24.464 7.965 2.742 1.00 0.00 H new ATOM 112 N HIS A 8 -19.670 4.719 4.596 1.00 0.00 N ATOM 113 CA HIS A 8 -19.689 4.809 6.055 1.00 0.00 C ATOM 114 C HIS A 8 -18.686 5.894 6.467 1.00 0.00 C ATOM 115 O HIS A 8 -17.906 6.369 5.634 1.00 0.00 O ATOM 116 CB HIS A 8 -19.310 3.447 6.682 1.00 0.00 C ATOM 117 CG HIS A 8 -20.301 2.315 6.509 1.00 0.00 C ATOM 118 ND1 HIS A 8 -21.530 2.354 5.886 1.00 0.00 N ATOM 119 CD2 HIS A 8 -20.138 1.035 6.973 1.00 0.00 C ATOM 120 CE1 HIS A 8 -22.081 1.132 5.954 1.00 0.00 C ATOM 121 NE2 HIS A 8 -21.270 0.287 6.618 1.00 0.00 N ATOM 0 H HIS A 8 -18.722 4.720 4.219 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.687 5.066 6.410 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -18.357 3.131 6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -19.150 3.598 7.750 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -21.950 3.173 5.447 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.283 0.665 7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -23.040 0.864 5.535 1.00 0.00 H new ATOM 129 N LEU A 9 -18.669 6.262 7.752 1.00 0.00 N ATOM 130 CA LEU A 9 -17.831 7.320 8.320 1.00 0.00 C ATOM 131 C LEU A 9 -17.033 6.737 9.491 1.00 0.00 C ATOM 132 O LEU A 9 -17.084 7.212 10.624 1.00 0.00 O ATOM 133 CB LEU A 9 -18.710 8.537 8.669 1.00 0.00 C ATOM 134 CG LEU A 9 -17.950 9.805 9.119 1.00 0.00 C ATOM 135 CD1 LEU A 9 -16.906 10.260 8.093 1.00 0.00 C ATOM 136 CD2 LEU A 9 -18.959 10.937 9.347 1.00 0.00 C ATOM 0 H LEU A 9 -19.261 5.813 8.451 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.095 7.691 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -19.314 8.788 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -19.400 8.248 9.462 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.419 9.562 10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.402 11.154 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.174 9.467 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.399 10.483 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.431 11.836 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -19.495 11.139 8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -19.669 10.641 10.119 1.00 0.00 H new ATOM 148 N ASP A 10 -16.343 5.630 9.207 1.00 0.00 N ATOM 149 CA ASP A 10 -15.548 4.880 10.184 1.00 0.00 C ATOM 150 C ASP A 10 -14.375 5.701 10.738 1.00 0.00 C ATOM 151 O ASP A 10 -13.991 5.541 11.898 1.00 0.00 O ATOM 152 CB ASP A 10 -15.021 3.590 9.545 1.00 0.00 C ATOM 153 CG ASP A 10 -14.172 2.781 10.540 1.00 0.00 C ATOM 154 OD1 ASP A 10 -14.742 2.177 11.477 1.00 0.00 O ATOM 155 OD2 ASP A 10 -12.934 2.712 10.369 1.00 0.00 O ATOM 0 H ASP A 10 -16.320 5.221 8.273 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.204 4.642 11.022 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.859 2.983 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.423 3.834 8.667 1.00 0.00 H new ATOM 160 N SER A 11 -13.843 6.614 9.925 1.00 0.00 N ATOM 161 CA SER A 11 -12.838 7.603 10.294 1.00 0.00 C ATOM 162 C SER A 11 -13.010 8.810 9.365 1.00 0.00 C ATOM 163 O SER A 11 -13.644 8.691 8.315 1.00 0.00 O ATOM 164 CB SER A 11 -11.436 6.984 10.193 1.00 0.00 C ATOM 165 OG SER A 11 -11.197 6.432 8.908 1.00 0.00 O ATOM 0 H SER A 11 -14.116 6.685 8.945 1.00 0.00 H new ATOM 0 HA SER A 11 -12.962 7.931 11.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.686 7.745 10.407 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.326 6.207 10.949 1.00 0.00 H new ATOM 0 HG SER A 11 -10.709 5.587 9.001 1.00 0.00 H new ATOM 171 N TYR A 12 -12.467 9.975 9.731 1.00 0.00 N ATOM 172 CA TYR A 12 -12.680 11.213 8.981 1.00 0.00 C ATOM 173 C TYR A 12 -12.214 11.086 7.523 1.00 0.00 C ATOM 174 O TYR A 12 -12.967 11.409 6.603 1.00 0.00 O ATOM 175 CB TYR A 12 -12.017 12.397 9.711 1.00 0.00 C ATOM 176 CG TYR A 12 -10.510 12.298 9.907 1.00 0.00 C ATOM 177 CD1 TYR A 12 -9.977 11.573 10.992 1.00 0.00 C ATOM 178 CD2 TYR A 12 -9.638 12.932 9.001 1.00 0.00 C ATOM 179 CE1 TYR A 12 -8.584 11.452 11.152 1.00 0.00 C ATOM 180 CE2 TYR A 12 -8.245 12.819 9.156 1.00 0.00 C ATOM 181 CZ TYR A 12 -7.710 12.073 10.231 1.00 0.00 C ATOM 182 OH TYR A 12 -6.358 11.964 10.368 1.00 0.00 O ATOM 0 H TYR A 12 -11.871 10.085 10.551 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.751 11.409 8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.232 13.309 9.154 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.485 12.503 10.690 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.642 11.108 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.042 13.509 8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.183 10.885 11.979 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.583 13.303 8.453 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.915 12.454 9.644 1.00 0.00 H new ATOM 192 N ALA A 13 -11.008 10.553 7.313 1.00 0.00 N ATOM 193 CA ALA A 13 -10.357 10.423 6.010 1.00 0.00 C ATOM 194 C ALA A 13 -9.479 9.169 5.834 1.00 0.00 C ATOM 195 O ALA A 13 -9.280 8.794 4.677 1.00 0.00 O ATOM 196 CB ALA A 13 -9.522 11.678 5.723 1.00 0.00 C ATOM 0 H ALA A 13 -10.438 10.187 8.075 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.170 10.310 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.038 11.579 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.171 12.553 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.763 11.795 6.496 1.00 0.00 H new ATOM 202 N PRO A 14 -8.957 8.479 6.875 1.00 0.00 N ATOM 203 CA PRO A 14 -8.265 7.196 6.707 1.00 0.00 C ATOM 204 C PRO A 14 -9.068 6.092 5.997 1.00 0.00 C ATOM 205 O PRO A 14 -8.475 5.085 5.602 1.00 0.00 O ATOM 206 CB PRO A 14 -7.825 6.756 8.107 1.00 0.00 C ATOM 207 CG PRO A 14 -7.669 8.078 8.850 1.00 0.00 C ATOM 208 CD PRO A 14 -8.767 8.948 8.243 1.00 0.00 C ATOM 0 HA PRO A 14 -7.424 7.351 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.567 6.113 8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.890 6.196 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.801 7.954 9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.681 8.512 8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.691 8.862 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.481 10.000 8.257 1.00 0.00 H new ATOM 216 N ARG A 15 -10.386 6.251 5.824 1.00 0.00 N ATOM 217 CA ARG A 15 -11.221 5.385 4.988 1.00 0.00 C ATOM 218 C ARG A 15 -10.606 5.232 3.594 1.00 0.00 C ATOM 219 O ARG A 15 -10.354 6.235 2.923 1.00 0.00 O ATOM 220 CB ARG A 15 -12.626 5.999 4.832 1.00 0.00 C ATOM 221 CG ARG A 15 -13.489 5.920 6.098 1.00 0.00 C ATOM 222 CD ARG A 15 -14.843 6.606 5.873 1.00 0.00 C ATOM 223 NE ARG A 15 -14.716 8.075 5.848 1.00 0.00 N ATOM 224 CZ ARG A 15 -15.439 8.937 5.124 1.00 0.00 C ATOM 225 NH1 ARG A 15 -16.515 8.524 4.463 1.00 0.00 N ATOM 226 NH2 ARG A 15 -15.085 10.218 5.081 1.00 0.00 N ATOM 0 H ARG A 15 -10.911 7.002 6.272 1.00 0.00 H new ATOM 0 HA ARG A 15 -11.287 4.410 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.524 7.044 4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.145 5.490 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.645 4.877 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.968 6.395 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.272 6.262 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.534 6.314 6.664 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.998 8.478 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.795 7.544 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.061 9.187 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.266 10.539 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.632 10.880 4.531 1.00 0.00 H new ATOM 240 N ALA A 16 -10.398 3.988 3.157 1.00 0.00 N ATOM 241 CA ALA A 16 -10.032 3.628 1.792 1.00 0.00 C ATOM 242 C ALA A 16 -10.239 2.119 1.657 1.00 0.00 C ATOM 243 O ALA A 16 -11.306 1.691 1.218 1.00 0.00 O ATOM 244 CB ALA A 16 -8.591 4.047 1.455 1.00 0.00 C ATOM 0 H ALA A 16 -10.484 3.177 3.769 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.659 4.160 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.359 3.760 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.492 5.127 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.899 3.551 2.136 1.00 0.00 H new ATOM 250 N GLU A 17 -9.246 1.335 2.102 1.00 0.00 N ATOM 251 CA GLU A 17 -9.162 -0.126 1.997 1.00 0.00 C ATOM 252 C GLU A 17 -9.760 -0.650 0.680 1.00 0.00 C ATOM 253 O GLU A 17 -10.630 -1.527 0.666 1.00 0.00 O ATOM 254 CB GLU A 17 -9.701 -0.793 3.278 1.00 0.00 C ATOM 255 CG GLU A 17 -8.686 -0.647 4.423 1.00 0.00 C ATOM 256 CD GLU A 17 -9.137 -1.362 5.707 1.00 0.00 C ATOM 257 OE1 GLU A 17 -9.251 -2.608 5.694 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.336 -0.674 6.736 1.00 0.00 O ATOM 0 H GLU A 17 -8.432 1.730 2.573 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.114 -0.419 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.649 -0.336 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.899 -1.848 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.725 -1.051 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.533 0.411 4.635 1.00 0.00 H new ATOM 265 N ALA A 18 -9.305 -0.068 -0.435 1.00 0.00 N ATOM 266 CA ALA A 18 -9.595 -0.578 -1.766 1.00 0.00 C ATOM 267 C ALA A 18 -8.906 -1.936 -1.900 1.00 0.00 C ATOM 268 O ALA A 18 -7.810 -2.123 -1.368 1.00 0.00 O ATOM 269 CB ALA A 18 -9.070 0.403 -2.820 1.00 0.00 C ATOM 0 H ALA A 18 -8.725 0.771 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.669 -0.689 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.289 0.018 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.555 1.370 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.992 0.519 -2.704 1.00 0.00 H new ATOM 275 N GLU A 19 -9.519 -2.878 -2.615 1.00 0.00 N ATOM 276 CA GLU A 19 -9.011 -4.236 -2.754 1.00 0.00 C ATOM 277 C GLU A 19 -9.352 -4.739 -4.157 1.00 0.00 C ATOM 278 O GLU A 19 -10.461 -4.491 -4.641 1.00 0.00 O ATOM 279 CB GLU A 19 -9.635 -5.119 -1.656 1.00 0.00 C ATOM 280 CG GLU A 19 -9.086 -6.553 -1.640 1.00 0.00 C ATOM 281 CD GLU A 19 -9.776 -7.398 -0.557 1.00 0.00 C ATOM 282 OE1 GLU A 19 -9.518 -7.167 0.646 1.00 0.00 O ATOM 283 OE2 GLU A 19 -10.578 -8.297 -0.899 1.00 0.00 O ATOM 0 H GLU A 19 -10.391 -2.715 -3.118 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.928 -4.270 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.456 -4.659 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.715 -5.153 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.236 -7.014 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.011 -6.532 -1.460 1.00 0.00 H new ATOM 290 N LYS A 20 -8.414 -5.433 -4.813 1.00 0.00 N ATOM 291 CA LYS A 20 -8.609 -5.985 -6.155 1.00 0.00 C ATOM 292 C LYS A 20 -7.670 -7.168 -6.384 1.00 0.00 C ATOM 293 O LYS A 20 -6.647 -7.307 -5.710 1.00 0.00 O ATOM 294 CB LYS A 20 -8.364 -4.886 -7.220 1.00 0.00 C ATOM 295 CG LYS A 20 -9.617 -4.530 -8.045 1.00 0.00 C ATOM 296 CD LYS A 20 -10.091 -5.630 -9.010 1.00 0.00 C ATOM 297 CE LYS A 20 -9.106 -5.823 -10.174 1.00 0.00 C ATOM 298 NZ LYS A 20 -9.407 -7.035 -10.975 1.00 0.00 N ATOM 0 H LYS A 20 -7.492 -5.628 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.636 -6.338 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.999 -3.987 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.577 -5.218 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.431 -4.293 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.411 -3.627 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.202 -6.568 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.074 -5.371 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.136 -4.946 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.092 -5.894 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.726 -7.112 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.336 -7.878 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.371 -6.966 -11.360 1.00 0.00 H new ATOM 312 N THR A 21 -8.035 -8.015 -7.340 1.00 0.00 N ATOM 313 CA THR A 21 -7.220 -9.085 -7.891 1.00 0.00 C ATOM 314 C THR A 21 -6.218 -8.476 -8.881 1.00 0.00 C ATOM 315 O THR A 21 -6.562 -7.537 -9.604 1.00 0.00 O ATOM 316 CB THR A 21 -8.158 -10.091 -8.585 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.186 -9.415 -9.304 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.834 -10.997 -7.552 1.00 0.00 C ATOM 0 H THR A 21 -8.957 -7.969 -7.773 1.00 0.00 H new ATOM 0 HA THR A 21 -6.660 -9.605 -7.114 1.00 0.00 H new ATOM 0 HB THR A 21 -7.548 -10.681 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.977 -9.321 -8.733 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.493 -11.701 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.074 -11.547 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.418 -10.389 -6.861 1.00 0.00 H new ATOM 326 N PHE A 22 -4.991 -8.996 -8.935 1.00 0.00 N ATOM 327 CA PHE A 22 -3.945 -8.535 -9.841 1.00 0.00 C ATOM 328 C PHE A 22 -3.092 -9.723 -10.308 1.00 0.00 C ATOM 329 O PHE A 22 -3.139 -10.805 -9.718 1.00 0.00 O ATOM 330 CB PHE A 22 -3.055 -7.499 -9.135 1.00 0.00 C ATOM 331 CG PHE A 22 -3.738 -6.208 -8.712 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.925 -5.170 -9.645 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.167 -6.034 -7.382 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.541 -3.968 -9.251 1.00 0.00 C ATOM 335 CE2 PHE A 22 -4.782 -4.833 -6.989 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.971 -3.799 -7.923 1.00 0.00 C ATOM 0 H PHE A 22 -4.693 -9.766 -8.336 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.412 -8.070 -10.709 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.623 -7.965 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.228 -7.248 -9.799 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.595 -5.297 -10.665 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.023 -6.826 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.684 -3.174 -9.969 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.110 -4.704 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.445 -2.877 -7.621 1.00 0.00 H new ATOM 346 N SER A 23 -2.269 -9.478 -11.327 1.00 0.00 N ATOM 347 CA SER A 23 -1.239 -10.375 -11.843 1.00 0.00 C ATOM 348 C SER A 23 0.007 -9.521 -12.128 1.00 0.00 C ATOM 349 O SER A 23 -0.084 -8.288 -12.131 1.00 0.00 O ATOM 350 CB SER A 23 -1.744 -11.082 -13.111 1.00 0.00 C ATOM 351 OG SER A 23 -2.940 -11.806 -12.861 1.00 0.00 O ATOM 0 H SER A 23 -2.306 -8.599 -11.842 1.00 0.00 H new ATOM 0 HA SER A 23 -0.994 -11.155 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.921 -10.345 -13.894 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.976 -11.762 -13.480 1.00 0.00 H new ATOM 0 HG SER A 23 -3.237 -12.243 -13.687 1.00 0.00 H new ATOM 357 N TYR A 24 1.169 -10.144 -12.351 1.00 0.00 N ATOM 358 CA TYR A 24 2.423 -9.416 -12.525 1.00 0.00 C ATOM 359 C TYR A 24 2.695 -9.198 -14.029 1.00 0.00 C ATOM 360 O TYR A 24 2.240 -10.021 -14.832 1.00 0.00 O ATOM 361 CB TYR A 24 3.551 -10.201 -11.840 1.00 0.00 C ATOM 362 CG TYR A 24 4.551 -9.364 -11.071 1.00 0.00 C ATOM 363 CD1 TYR A 24 4.119 -8.622 -9.956 1.00 0.00 C ATOM 364 CD2 TYR A 24 5.909 -9.347 -11.442 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.031 -7.841 -9.226 1.00 0.00 C ATOM 366 CE2 TYR A 24 6.828 -8.571 -10.715 1.00 0.00 C ATOM 367 CZ TYR A 24 6.395 -7.813 -9.603 1.00 0.00 C ATOM 368 OH TYR A 24 7.298 -7.073 -8.900 1.00 0.00 O ATOM 0 H TYR A 24 1.263 -11.158 -12.415 1.00 0.00 H new ATOM 0 HA TYR A 24 2.364 -8.431 -12.061 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.105 -10.923 -11.156 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.087 -10.771 -12.599 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.081 -8.653 -9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.245 -9.931 -12.286 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.692 -7.263 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.868 -8.554 -11.007 1.00 0.00 H new ATOM 0 HH TYR A 24 8.187 -7.174 -9.301 1.00 0.00 H new ATOM 378 N PRO A 25 3.446 -8.158 -14.450 1.00 0.00 N ATOM 379 CA PRO A 25 3.953 -7.057 -13.635 1.00 0.00 C ATOM 380 C PRO A 25 2.787 -6.236 -13.072 1.00 0.00 C ATOM 381 O PRO A 25 1.821 -5.933 -13.777 1.00 0.00 O ATOM 382 CB PRO A 25 4.868 -6.246 -14.556 1.00 0.00 C ATOM 383 CG PRO A 25 4.301 -6.503 -15.949 1.00 0.00 C ATOM 384 CD PRO A 25 3.787 -7.938 -15.851 1.00 0.00 C ATOM 0 HA PRO A 25 4.513 -7.399 -12.765 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.849 -5.185 -14.306 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.905 -6.573 -14.479 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.502 -5.804 -16.195 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.064 -6.399 -16.721 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.916 -8.083 -16.490 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.547 -8.646 -16.182 1.00 0.00 H new ATOM 392 N LEU A 26 2.866 -5.934 -11.775 1.00 0.00 N ATOM 393 CA LEU A 26 1.767 -5.358 -11.011 1.00 0.00 C ATOM 394 C LEU A 26 1.443 -3.940 -11.492 1.00 0.00 C ATOM 395 O LEU A 26 2.312 -3.068 -11.483 1.00 0.00 O ATOM 396 CB LEU A 26 2.138 -5.398 -9.518 1.00 0.00 C ATOM 397 CG LEU A 26 1.057 -4.839 -8.579 1.00 0.00 C ATOM 398 CD1 LEU A 26 -0.285 -5.561 -8.714 1.00 0.00 C ATOM 399 CD2 LEU A 26 1.536 -4.955 -7.129 1.00 0.00 C ATOM 0 H LEU A 26 3.709 -6.086 -11.221 1.00 0.00 H new ATOM 0 HA LEU A 26 0.859 -5.942 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.348 -6.430 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.058 -4.833 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 26 0.898 -3.798 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.006 -5.120 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.651 -5.461 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.155 -6.617 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.771 -4.559 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.721 -6.002 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.457 -4.386 -7.004 1.00 0.00 H new ATOM 411 N ASP A 27 0.184 -3.711 -11.879 1.00 0.00 N ATOM 412 CA ASP A 27 -0.335 -2.397 -12.278 1.00 0.00 C ATOM 413 C ASP A 27 -0.271 -1.393 -11.121 1.00 0.00 C ATOM 414 O ASP A 27 0.152 -0.251 -11.306 1.00 0.00 O ATOM 415 CB ASP A 27 -1.788 -2.545 -12.749 1.00 0.00 C ATOM 416 CG ASP A 27 -2.465 -1.178 -12.935 1.00 0.00 C ATOM 417 OD1 ASP A 27 -2.238 -0.519 -13.974 1.00 0.00 O ATOM 418 OD2 ASP A 27 -3.246 -0.779 -12.041 1.00 0.00 O ATOM 0 H ASP A 27 -0.518 -4.449 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 27 0.287 -2.018 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.812 -3.094 -13.690 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.348 -3.133 -12.022 1.00 0.00 H new ATOM 423 N LEU A 28 -0.640 -1.843 -9.918 1.00 0.00 N ATOM 424 CA LEU A 28 -0.478 -1.128 -8.653 1.00 0.00 C ATOM 425 C LEU A 28 0.999 -1.191 -8.224 1.00 0.00 C ATOM 426 O LEU A 28 1.319 -1.780 -7.193 1.00 0.00 O ATOM 427 CB LEU A 28 -1.407 -1.769 -7.602 1.00 0.00 C ATOM 428 CG LEU A 28 -1.478 -0.967 -6.285 1.00 0.00 C ATOM 429 CD1 LEU A 28 -2.521 0.151 -6.385 1.00 0.00 C ATOM 430 CD2 LEU A 28 -1.821 -1.907 -5.126 1.00 0.00 C ATOM 0 H LEU A 28 -1.079 -2.756 -9.796 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.752 -0.078 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.410 -1.859 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.059 -2.779 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.506 -0.510 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.554 0.703 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.251 0.829 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.501 -0.282 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.870 -1.337 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.785 -2.379 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.052 -2.675 -5.040 1.00 0.00 H new ATOM 442 N LEU A 29 1.920 -0.712 -9.065 1.00 0.00 N ATOM 443 CA LEU A 29 3.359 -0.815 -8.818 1.00 0.00 C ATOM 444 C LEU A 29 3.679 -0.236 -7.439 1.00 0.00 C ATOM 445 O LEU A 29 3.113 0.792 -7.062 1.00 0.00 O ATOM 446 CB LEU A 29 4.129 -0.074 -9.921 1.00 0.00 C ATOM 447 CG LEU A 29 5.662 -0.216 -9.839 1.00 0.00 C ATOM 448 CD1 LEU A 29 6.127 -1.666 -10.029 1.00 0.00 C ATOM 449 CD2 LEU A 29 6.310 0.668 -10.910 1.00 0.00 C ATOM 0 H LEU A 29 1.687 -0.241 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 29 3.665 -1.861 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.794 -0.443 -10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.872 0.984 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 29 5.968 0.098 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.214 -1.711 -9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.689 -2.293 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.808 -2.025 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.394 0.570 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.967 0.355 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.030 1.708 -10.741 1.00 0.00 H new ATOM 461 N LEU A 30 4.603 -0.856 -6.702 1.00 0.00 N ATOM 462 CA LEU A 30 4.918 -0.511 -5.317 1.00 0.00 C ATOM 463 C LEU A 30 6.414 -0.227 -5.186 1.00 0.00 C ATOM 464 O LEU A 30 7.210 -0.745 -5.973 1.00 0.00 O ATOM 465 CB LEU A 30 4.581 -1.674 -4.362 1.00 0.00 C ATOM 466 CG LEU A 30 3.146 -2.234 -4.379 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.082 -3.394 -3.383 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.072 -1.196 -4.029 1.00 0.00 C ATOM 0 H LEU A 30 5.164 -1.628 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 30 4.325 0.365 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.262 -2.496 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.799 -1.345 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 30 2.929 -2.557 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.075 -3.811 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.792 -4.167 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.334 -3.032 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.089 -1.665 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.255 -0.807 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.108 -0.378 -4.749 1.00 0.00 H new ATOM 480 N LYS A 31 6.802 0.554 -4.172 1.00 0.00 N ATOM 481 CA LYS A 31 8.203 0.732 -3.781 1.00 0.00 C ATOM 482 C LYS A 31 8.294 0.673 -2.260 1.00 0.00 C ATOM 483 O LYS A 31 7.317 0.983 -1.576 1.00 0.00 O ATOM 484 CB LYS A 31 8.845 1.997 -4.396 1.00 0.00 C ATOM 485 CG LYS A 31 8.719 3.330 -3.630 1.00 0.00 C ATOM 486 CD LYS A 31 7.294 3.895 -3.535 1.00 0.00 C ATOM 487 CE LYS A 31 7.245 5.248 -2.800 1.00 0.00 C ATOM 488 NZ LYS A 31 7.939 6.342 -3.531 1.00 0.00 N ATOM 0 H LYS A 31 6.148 1.084 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 31 8.799 -0.083 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.907 1.795 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.413 2.141 -5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.105 3.189 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.355 4.071 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.886 4.015 -4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.657 3.179 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.204 5.530 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.698 5.135 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.797 7.241 -3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.956 6.132 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.549 6.419 -4.492 1.00 0.00 H new ATOM 502 N LEU A 32 9.454 0.279 -1.739 1.00 0.00 N ATOM 503 CA LEU A 32 9.727 0.205 -0.307 1.00 0.00 C ATOM 504 C LEU A 32 10.349 1.545 0.082 1.00 0.00 C ATOM 505 O LEU A 32 11.332 1.965 -0.534 1.00 0.00 O ATOM 506 CB LEU A 32 10.638 -1.012 -0.042 1.00 0.00 C ATOM 507 CG LEU A 32 10.778 -1.476 1.423 1.00 0.00 C ATOM 508 CD1 LEU A 32 11.498 -2.834 1.426 1.00 0.00 C ATOM 509 CD2 LEU A 32 11.561 -0.501 2.309 1.00 0.00 C ATOM 0 H LEU A 32 10.247 -0.004 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 32 8.836 0.052 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.262 -1.850 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.633 -0.779 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 32 9.773 -1.536 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.610 -3.184 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.913 -3.557 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.482 -2.725 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.617 -0.896 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.568 -0.377 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.055 0.464 2.323 1.00 0.00 H new ATOM 521 N HIS A 33 9.758 2.241 1.054 1.00 0.00 N ATOM 522 CA HIS A 33 10.136 3.589 1.457 1.00 0.00 C ATOM 523 C HIS A 33 9.804 3.760 2.938 1.00 0.00 C ATOM 524 O HIS A 33 8.724 3.363 3.375 1.00 0.00 O ATOM 525 CB HIS A 33 9.353 4.601 0.604 1.00 0.00 C ATOM 526 CG HIS A 33 9.617 6.038 0.979 1.00 0.00 C ATOM 527 ND1 HIS A 33 8.896 6.793 1.879 1.00 0.00 N ATOM 528 CD2 HIS A 33 10.629 6.831 0.506 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.463 8.009 1.949 1.00 0.00 C ATOM 530 NE2 HIS A 33 10.526 8.085 1.126 1.00 0.00 N ATOM 0 H HIS A 33 8.980 1.867 1.597 1.00 0.00 H new ATOM 0 HA HIS A 33 11.203 3.757 1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.610 4.455 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.287 4.398 0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.376 6.541 -0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.114 8.814 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.134 8.892 0.982 1.00 0.00 H new ATOM 538 N ASP A 34 10.717 4.368 3.703 1.00 0.00 N ATOM 539 CA ASP A 34 10.617 4.555 5.158 1.00 0.00 C ATOM 540 C ASP A 34 10.254 3.244 5.880 1.00 0.00 C ATOM 541 O ASP A 34 9.426 3.211 6.788 1.00 0.00 O ATOM 542 CB ASP A 34 9.686 5.735 5.485 1.00 0.00 C ATOM 543 CG ASP A 34 9.694 6.097 6.983 1.00 0.00 C ATOM 544 OD1 ASP A 34 10.787 6.183 7.591 1.00 0.00 O ATOM 545 OD2 ASP A 34 8.611 6.375 7.549 1.00 0.00 O ATOM 0 H ASP A 34 11.576 4.757 3.315 1.00 0.00 H new ATOM 0 HA ASP A 34 11.598 4.823 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.990 6.605 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.669 5.487 5.180 1.00 0.00 H new ATOM 550 N GLU A 35 10.852 2.140 5.412 1.00 0.00 N ATOM 551 CA GLU A 35 10.586 0.750 5.799 1.00 0.00 C ATOM 552 C GLU A 35 9.145 0.267 5.563 1.00 0.00 C ATOM 553 O GLU A 35 8.854 -0.890 5.846 1.00 0.00 O ATOM 554 CB GLU A 35 11.049 0.453 7.239 1.00 0.00 C ATOM 555 CG GLU A 35 12.561 0.615 7.434 1.00 0.00 C ATOM 556 CD GLU A 35 12.989 0.114 8.824 1.00 0.00 C ATOM 557 OE1 GLU A 35 12.963 -1.118 9.053 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.374 0.938 9.687 1.00 0.00 O ATOM 0 H GLU A 35 11.584 2.200 4.705 1.00 0.00 H new ATOM 0 HA GLU A 35 11.193 0.163 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.527 1.119 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.762 -0.565 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.093 0.059 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.837 1.663 7.319 1.00 0.00 H new ATOM 565 N ARG A 36 8.234 1.081 5.034 1.00 0.00 N ATOM 566 CA ARG A 36 6.891 0.657 4.628 1.00 0.00 C ATOM 567 C ARG A 36 6.929 0.358 3.125 1.00 0.00 C ATOM 568 O ARG A 36 7.980 0.489 2.491 1.00 0.00 O ATOM 569 CB ARG A 36 5.887 1.785 4.956 1.00 0.00 C ATOM 570 CG ARG A 36 5.862 2.221 6.437 1.00 0.00 C ATOM 571 CD ARG A 36 5.299 1.175 7.411 1.00 0.00 C ATOM 572 NE ARG A 36 3.835 1.058 7.286 1.00 0.00 N ATOM 573 CZ ARG A 36 3.007 0.505 8.184 1.00 0.00 C ATOM 574 NH1 ARG A 36 3.463 -0.119 9.262 1.00 0.00 N ATOM 575 NH2 ARG A 36 1.695 0.562 7.987 1.00 0.00 N ATOM 0 H ARG A 36 8.409 2.073 4.872 1.00 0.00 H new ATOM 0 HA ARG A 36 6.574 -0.239 5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.124 2.653 4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.887 1.456 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.877 2.472 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.269 3.132 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.761 0.207 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.558 1.451 8.433 1.00 0.00 H new ATOM 0 HE ARG A 36 3.412 1.433 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.468 -0.188 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.809 -0.530 9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.324 1.024 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.059 0.144 8.666 1.00 0.00 H new ATOM 589 N VAL A 37 5.797 -0.003 2.526 1.00 0.00 N ATOM 590 CA VAL A 37 5.654 -0.095 1.075 1.00 0.00 C ATOM 591 C VAL A 37 4.498 0.812 0.670 1.00 0.00 C ATOM 592 O VAL A 37 3.482 0.877 1.370 1.00 0.00 O ATOM 593 CB VAL A 37 5.489 -1.548 0.579 1.00 0.00 C ATOM 594 CG1 VAL A 37 6.801 -2.330 0.728 1.00 0.00 C ATOM 595 CG2 VAL A 37 4.355 -2.315 1.274 1.00 0.00 C ATOM 0 H VAL A 37 4.947 -0.242 3.037 1.00 0.00 H new ATOM 0 HA VAL A 37 6.570 0.243 0.590 1.00 0.00 H new ATOM 0 HB VAL A 37 5.219 -1.466 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.659 -3.350 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.582 -1.846 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.096 -2.350 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.301 -3.327 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.549 -2.359 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.409 -1.804 1.098 1.00 0.00 H new ATOM 605 N LEU A 38 4.660 1.521 -0.449 1.00 0.00 N ATOM 606 CA LEU A 38 3.708 2.510 -0.934 1.00 0.00 C ATOM 607 C LEU A 38 3.469 2.275 -2.418 1.00 0.00 C ATOM 608 O LEU A 38 4.361 1.803 -3.126 1.00 0.00 O ATOM 609 CB LEU A 38 4.232 3.945 -0.727 1.00 0.00 C ATOM 610 CG LEU A 38 4.408 4.397 0.734 1.00 0.00 C ATOM 611 CD1 LEU A 38 5.089 5.770 0.773 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.088 4.474 1.503 1.00 0.00 C ATOM 0 H LEU A 38 5.476 1.418 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 38 2.781 2.402 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.193 4.035 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.547 4.635 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 38 5.025 3.642 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.212 6.086 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.067 5.705 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.474 6.497 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.281 4.798 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.424 5.188 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.617 3.491 1.517 1.00 0.00 H new ATOM 624 N VAL A 39 2.278 2.640 -2.882 1.00 0.00 N ATOM 625 CA VAL A 39 1.873 2.620 -4.279 1.00 0.00 C ATOM 626 C VAL A 39 2.727 3.650 -5.025 1.00 0.00 C ATOM 627 O VAL A 39 2.531 4.855 -4.868 1.00 0.00 O ATOM 628 CB VAL A 39 0.350 2.869 -4.373 1.00 0.00 C ATOM 629 CG1 VAL A 39 -0.135 2.849 -5.827 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.446 1.805 -3.593 1.00 0.00 C ATOM 0 H VAL A 39 1.537 2.972 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 39 2.043 1.652 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 39 0.177 3.854 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.210 3.027 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.377 3.628 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.083 1.877 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.513 2.011 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.232 0.818 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.157 1.832 -2.542 1.00 0.00 H new ATOM 640 N ALA A 40 3.692 3.160 -5.804 1.00 0.00 N ATOM 641 CA ALA A 40 4.603 3.946 -6.623 1.00 0.00 C ATOM 642 C ALA A 40 3.918 4.473 -7.884 1.00 0.00 C ATOM 643 O ALA A 40 4.258 5.559 -8.354 1.00 0.00 O ATOM 644 CB ALA A 40 5.788 3.063 -7.037 1.00 0.00 C ATOM 0 H ALA A 40 3.864 2.158 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 40 4.937 4.800 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.477 3.643 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.307 2.709 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.423 2.209 -7.608 1.00 0.00 H new ATOM 650 N PHE A 41 2.974 3.709 -8.438 1.00 0.00 N ATOM 651 CA PHE A 41 2.232 4.077 -9.637 1.00 0.00 C ATOM 652 C PHE A 41 0.846 3.435 -9.591 1.00 0.00 C ATOM 653 O PHE A 41 0.624 2.452 -8.883 1.00 0.00 O ATOM 654 CB PHE A 41 2.997 3.643 -10.902 1.00 0.00 C ATOM 655 CG PHE A 41 2.502 4.296 -12.178 1.00 0.00 C ATOM 656 CD1 PHE A 41 2.921 5.600 -12.505 1.00 0.00 C ATOM 657 CD2 PHE A 41 1.608 3.617 -13.030 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.452 6.219 -13.676 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.127 4.244 -14.193 1.00 0.00 C ATOM 660 CZ PHE A 41 1.550 5.546 -14.519 1.00 0.00 C ATOM 0 H PHE A 41 2.702 2.803 -8.057 1.00 0.00 H new ATOM 0 HA PHE A 41 2.120 5.161 -9.673 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.054 3.877 -10.773 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.920 2.561 -11.007 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.604 6.125 -11.854 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.292 2.613 -12.789 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.785 7.215 -13.929 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.432 3.726 -14.837 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.183 6.027 -15.414 1.00 0.00 H new ATOM 670 N GLY A 42 -0.081 3.999 -10.361 1.00 0.00 N ATOM 671 CA GLY A 42 -1.466 3.558 -10.443 1.00 0.00 C ATOM 672 C GLY A 42 -2.307 4.532 -11.270 1.00 0.00 C ATOM 673 O GLY A 42 -3.331 4.137 -11.827 1.00 0.00 O ATOM 0 H GLY A 42 0.119 4.799 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.509 2.565 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.884 3.473 -9.440 1.00 0.00 H new ATOM 677 N GLN A 43 -1.866 5.786 -11.369 1.00 0.00 N ATOM 678 CA GLN A 43 -2.367 6.829 -12.254 1.00 0.00 C ATOM 679 C GLN A 43 -1.121 7.609 -12.696 1.00 0.00 C ATOM 680 O GLN A 43 -0.130 7.626 -11.957 1.00 0.00 O ATOM 681 CB GLN A 43 -3.340 7.759 -11.498 1.00 0.00 C ATOM 682 CG GLN A 43 -4.674 7.090 -11.131 1.00 0.00 C ATOM 683 CD GLN A 43 -5.566 8.029 -10.322 1.00 0.00 C ATOM 684 OE1 GLN A 43 -5.351 8.237 -9.131 1.00 0.00 O ATOM 685 NE2 GLN A 43 -6.575 8.626 -10.935 1.00 0.00 N ATOM 0 H GLN A 43 -1.095 6.120 -10.791 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.916 6.416 -13.100 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.857 8.111 -10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.541 8.637 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -5.193 6.787 -12.040 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.482 6.184 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.748 8.448 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.180 9.264 -10.418 1.00 0.00 H new ATOM 694 N ARG A 44 -1.159 8.273 -13.859 1.00 0.00 N ATOM 695 CA ARG A 44 -0.045 9.130 -14.292 1.00 0.00 C ATOM 696 C ARG A 44 0.232 10.220 -13.252 1.00 0.00 C ATOM 697 O ARG A 44 1.387 10.548 -12.987 1.00 0.00 O ATOM 698 CB ARG A 44 -0.276 9.691 -15.710 1.00 0.00 C ATOM 699 CG ARG A 44 -1.464 10.659 -15.847 1.00 0.00 C ATOM 700 CD ARG A 44 -1.639 11.102 -17.306 1.00 0.00 C ATOM 701 NE ARG A 44 -2.770 12.036 -17.455 1.00 0.00 N ATOM 702 CZ ARG A 44 -2.730 13.368 -17.303 1.00 0.00 C ATOM 703 NH1 ARG A 44 -1.595 13.987 -16.985 1.00 0.00 N ATOM 704 NH2 ARG A 44 -3.840 14.080 -17.470 1.00 0.00 N ATOM 0 H ARG A 44 -1.941 8.235 -14.512 1.00 0.00 H new ATOM 0 HA ARG A 44 0.855 8.519 -14.359 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.630 10.205 -16.032 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.428 8.856 -16.393 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.376 10.175 -15.497 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.303 11.532 -15.214 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.723 11.579 -17.655 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.802 10.228 -17.936 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.673 11.629 -17.698 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.739 13.448 -16.853 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.581 15.001 -16.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.714 13.613 -17.712 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.818 15.093 -17.356 1.00 0.00 H new ATOM 718 N ASP A 45 -0.833 10.738 -12.643 1.00 0.00 N ATOM 719 CA ASP A 45 -0.840 11.620 -11.485 1.00 0.00 C ATOM 720 C ASP A 45 -2.261 11.534 -10.935 1.00 0.00 C ATOM 721 O ASP A 45 -3.215 11.728 -11.695 1.00 0.00 O ATOM 722 CB ASP A 45 -0.522 13.069 -11.880 1.00 0.00 C ATOM 723 CG ASP A 45 -0.785 14.023 -10.703 1.00 0.00 C ATOM 724 OD1 ASP A 45 -0.122 13.884 -9.651 1.00 0.00 O ATOM 725 OD2 ASP A 45 -1.643 14.925 -10.824 1.00 0.00 O ATOM 0 H ASP A 45 -1.778 10.536 -12.971 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.084 11.324 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.520 13.146 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.133 13.361 -12.735 1.00 0.00 H new ATOM 730 N GLY A 46 -2.427 11.196 -9.657 1.00 0.00 N ATOM 731 CA GLY A 46 -3.740 11.104 -9.038 1.00 0.00 C ATOM 732 C GLY A 46 -3.681 10.419 -7.678 1.00 0.00 C ATOM 733 O GLY A 46 -2.652 9.857 -7.289 1.00 0.00 O ATOM 0 H GLY A 46 -1.655 10.980 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.158 12.104 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.413 10.551 -9.694 1.00 0.00 H new ATOM 737 N ILE A 47 -4.800 10.482 -6.955 1.00 0.00 N ATOM 738 CA ILE A 47 -4.908 10.084 -5.553 1.00 0.00 C ATOM 739 C ILE A 47 -4.631 8.595 -5.301 1.00 0.00 C ATOM 740 O ILE A 47 -4.383 8.228 -4.154 1.00 0.00 O ATOM 741 CB ILE A 47 -6.280 10.510 -4.978 1.00 0.00 C ATOM 742 CG1 ILE A 47 -7.461 9.782 -5.667 1.00 0.00 C ATOM 743 CG2 ILE A 47 -6.431 12.042 -5.050 1.00 0.00 C ATOM 744 CD1 ILE A 47 -8.825 10.079 -5.033 1.00 0.00 C ATOM 0 H ILE A 47 -5.681 10.821 -7.341 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.116 10.613 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.312 10.208 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.489 10.069 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.282 8.707 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.400 12.332 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.638 12.513 -4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.362 12.366 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.602 9.534 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.817 9.766 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.027 11.149 -5.089 1.00 0.00 H new ATOM 756 N ARG A 48 -4.671 7.724 -6.321 1.00 0.00 N ATOM 757 CA ARG A 48 -4.358 6.302 -6.148 1.00 0.00 C ATOM 758 C ARG A 48 -2.915 6.122 -5.669 1.00 0.00 C ATOM 759 O ARG A 48 -2.655 5.237 -4.851 1.00 0.00 O ATOM 760 CB ARG A 48 -4.622 5.560 -7.473 1.00 0.00 C ATOM 761 CG ARG A 48 -4.497 4.031 -7.367 1.00 0.00 C ATOM 762 CD ARG A 48 -4.928 3.367 -8.684 1.00 0.00 C ATOM 763 NE ARG A 48 -4.734 1.905 -8.647 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.376 1.118 -9.674 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.134 1.588 -10.890 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.236 -0.190 -9.510 1.00 0.00 N ATOM 0 H ARG A 48 -4.918 7.983 -7.276 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.002 5.874 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.623 5.809 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.921 5.921 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.467 3.759 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.116 3.665 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.977 3.590 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.355 3.789 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.888 1.445 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.217 2.587 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.865 0.950 -11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.401 -0.610 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.964 -0.777 -10.299 1.00 0.00 H new ATOM 780 N VAL A 49 -1.992 6.944 -6.169 1.00 0.00 N ATOM 781 CA VAL A 49 -0.571 6.877 -5.852 1.00 0.00 C ATOM 782 C VAL A 49 -0.363 7.334 -4.396 1.00 0.00 C ATOM 783 O VAL A 49 -1.100 8.190 -3.898 1.00 0.00 O ATOM 784 CB VAL A 49 0.205 7.735 -6.881 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.726 7.598 -6.731 1.00 0.00 C ATOM 786 CG2 VAL A 49 -0.152 7.335 -8.329 1.00 0.00 C ATOM 0 H VAL A 49 -2.221 7.693 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.187 5.860 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.090 8.765 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.223 8.220 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.024 7.920 -5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.014 6.557 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.410 7.956 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.102 6.287 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.220 7.479 -8.493 1.00 0.00 H new ATOM 796 N GLY A 50 0.651 6.789 -3.713 1.00 0.00 N ATOM 797 CA GLY A 50 1.062 7.240 -2.383 1.00 0.00 C ATOM 798 C GLY A 50 0.293 6.585 -1.230 1.00 0.00 C ATOM 799 O GLY A 50 0.553 6.911 -0.071 1.00 0.00 O ATOM 0 H GLY A 50 1.212 6.017 -4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.126 7.038 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.933 8.321 -2.323 1.00 0.00 H new ATOM 803 N HIS A 51 -0.644 5.678 -1.520 1.00 0.00 N ATOM 804 CA HIS A 51 -1.284 4.837 -0.511 1.00 0.00 C ATOM 805 C HIS A 51 -0.278 3.792 -0.028 1.00 0.00 C ATOM 806 O HIS A 51 0.701 3.519 -0.721 1.00 0.00 O ATOM 807 CB HIS A 51 -2.516 4.147 -1.111 1.00 0.00 C ATOM 808 CG HIS A 51 -3.705 5.059 -1.261 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.323 5.395 -2.439 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.391 5.683 -0.253 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.367 6.189 -2.146 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.455 6.400 -0.817 1.00 0.00 N ATOM 0 H HIS A 51 -0.980 5.507 -2.468 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.606 5.450 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.255 3.741 -2.088 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.793 3.303 -0.479 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -4.040 5.095 -3.372 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.152 5.631 0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.045 6.603 -2.878 1.00 0.00 H new ATOM 820 N ALA A 52 -0.543 3.167 1.119 1.00 0.00 N ATOM 821 CA ALA A 52 0.204 2.021 1.613 1.00 0.00 C ATOM 822 C ALA A 52 -0.588 0.749 1.331 1.00 0.00 C ATOM 823 O ALA A 52 -1.814 0.787 1.205 1.00 0.00 O ATOM 824 CB ALA A 52 0.431 2.178 3.121 1.00 0.00 C ATOM 0 H ALA A 52 -1.300 3.453 1.740 1.00 0.00 H new ATOM 0 HA ALA A 52 1.170 1.960 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.991 1.321 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.995 3.091 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.531 2.234 3.630 1.00 0.00 H new ATOM 830 N VAL A 53 0.098 -0.388 1.252 1.00 0.00 N ATOM 831 CA VAL A 53 -0.569 -1.686 1.209 1.00 0.00 C ATOM 832 C VAL A 53 -1.009 -2.006 2.642 1.00 0.00 C ATOM 833 O VAL A 53 -0.295 -1.685 3.597 1.00 0.00 O ATOM 834 CB VAL A 53 0.370 -2.753 0.616 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.296 -4.132 0.511 1.00 0.00 C ATOM 836 CG2 VAL A 53 0.816 -2.345 -0.794 1.00 0.00 C ATOM 0 H VAL A 53 1.116 -0.437 1.216 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.444 -1.672 0.559 1.00 0.00 H new ATOM 0 HB VAL A 53 1.219 -2.821 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.410 -4.846 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.598 -4.467 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.174 -4.064 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.479 -3.108 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.058 -2.244 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.344 -1.393 -0.747 1.00 0.00 H new ATOM 846 N LEU A 54 -2.165 -2.659 2.789 1.00 0.00 N ATOM 847 CA LEU A 54 -2.666 -3.174 4.059 1.00 0.00 C ATOM 848 C LEU A 54 -2.719 -4.697 4.035 1.00 0.00 C ATOM 849 O LEU A 54 -2.484 -5.288 5.087 1.00 0.00 O ATOM 850 CB LEU A 54 -4.059 -2.621 4.427 1.00 0.00 C ATOM 851 CG LEU A 54 -4.171 -1.137 4.836 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.035 -0.656 5.748 1.00 0.00 C ATOM 853 CD2 LEU A 54 -4.271 -0.212 3.625 1.00 0.00 C ATOM 0 H LEU A 54 -2.792 -2.847 2.006 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.966 -2.835 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.717 -2.781 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.450 -3.223 5.248 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.096 -1.085 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.184 0.396 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.032 -1.244 6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.081 -0.778 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.348 0.822 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.382 -0.326 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.155 -0.470 3.042 1.00 0.00 H new ATOM 865 N ALA A 55 -2.942 -5.361 2.889 1.00 0.00 N ATOM 866 CA ALA A 55 -2.840 -6.824 2.828 1.00 0.00 C ATOM 867 C ALA A 55 -2.484 -7.310 1.423 1.00 0.00 C ATOM 868 O ALA A 55 -2.734 -6.606 0.444 1.00 0.00 O ATOM 869 CB ALA A 55 -4.157 -7.474 3.289 1.00 0.00 C ATOM 0 H ALA A 55 -3.190 -4.914 2.006 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.035 -7.122 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.065 -8.559 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.370 -7.176 4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.970 -7.148 2.640 1.00 0.00 H new ATOM 875 N ILE A 56 -1.969 -8.538 1.327 1.00 0.00 N ATOM 876 CA ILE A 56 -1.751 -9.274 0.082 1.00 0.00 C ATOM 877 C ILE A 56 -2.176 -10.712 0.372 1.00 0.00 C ATOM 878 O ILE A 56 -1.826 -11.251 1.419 1.00 0.00 O ATOM 879 CB ILE A 56 -0.273 -9.235 -0.373 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.213 -7.786 -0.565 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.097 -10.044 -1.679 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.697 -7.678 -0.910 1.00 0.00 C ATOM 0 H ILE A 56 -1.681 -9.068 2.150 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.324 -8.825 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 56 0.336 -9.689 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.370 -7.318 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.019 -7.223 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.947 -10.010 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.391 -11.080 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.723 -9.614 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.967 -6.629 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.290 -8.116 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.894 -8.212 -1.839 1.00 0.00 H new ATOM 894 N ASN A 57 -2.903 -11.347 -0.550 1.00 0.00 N ATOM 895 CA ASN A 57 -3.419 -12.717 -0.437 1.00 0.00 C ATOM 896 C ASN A 57 -4.165 -12.952 0.889 1.00 0.00 C ATOM 897 O ASN A 57 -4.169 -14.061 1.427 1.00 0.00 O ATOM 898 CB ASN A 57 -2.290 -13.743 -0.686 1.00 0.00 C ATOM 899 CG ASN A 57 -1.703 -13.693 -2.093 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.353 -13.263 -3.043 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.464 -14.126 -2.251 1.00 0.00 N ATOM 0 H ASN A 57 -3.160 -10.905 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.166 -12.863 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.491 -13.571 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.677 -14.745 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.031 -14.107 -3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.059 -14.479 -1.450 1.00 0.00 H new ATOM 908 N GLY A 58 -4.769 -11.895 1.446 1.00 0.00 N ATOM 909 CA GLY A 58 -5.482 -11.921 2.720 1.00 0.00 C ATOM 910 C GLY A 58 -4.561 -11.819 3.943 1.00 0.00 C ATOM 911 O GLY A 58 -5.060 -11.643 5.056 1.00 0.00 O ATOM 0 H GLY A 58 -4.773 -10.974 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.196 -11.098 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.058 -12.844 2.786 1.00 0.00 H new ATOM 915 N MET A 59 -3.237 -11.902 3.769 1.00 0.00 N ATOM 916 CA MET A 59 -2.268 -11.666 4.826 1.00 0.00 C ATOM 917 C MET A 59 -2.088 -10.160 4.983 1.00 0.00 C ATOM 918 O MET A 59 -1.559 -9.498 4.088 1.00 0.00 O ATOM 919 CB MET A 59 -0.910 -12.308 4.494 1.00 0.00 C ATOM 920 CG MET A 59 -0.952 -13.837 4.466 1.00 0.00 C ATOM 921 SD MET A 59 0.693 -14.581 4.284 1.00 0.00 S ATOM 922 CE MET A 59 0.233 -16.334 4.284 1.00 0.00 C ATOM 0 H MET A 59 -2.810 -12.139 2.873 1.00 0.00 H new ATOM 0 HA MET A 59 -2.635 -12.114 5.749 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.571 -11.943 3.524 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.174 -11.985 5.231 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.411 -14.200 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.587 -14.164 3.642 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.129 -16.945 4.179 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.266 -16.579 5.221 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.441 -16.533 3.451 1.00 0.00 H new ATOM 932 N ASP A 60 -2.538 -9.619 6.114 1.00 0.00 N ATOM 933 CA ASP A 60 -2.256 -8.247 6.530 1.00 0.00 C ATOM 934 C ASP A 60 -0.738 -8.032 6.505 1.00 0.00 C ATOM 935 O ASP A 60 0.002 -8.883 7.012 1.00 0.00 O ATOM 936 CB ASP A 60 -2.822 -8.026 7.937 1.00 0.00 C ATOM 937 CG ASP A 60 -2.438 -6.652 8.510 1.00 0.00 C ATOM 938 OD1 ASP A 60 -1.366 -6.539 9.142 1.00 0.00 O ATOM 939 OD2 ASP A 60 -3.243 -5.701 8.389 1.00 0.00 O ATOM 0 H ASP A 60 -3.119 -10.131 6.778 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.724 -7.531 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.908 -8.115 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.456 -8.809 8.601 1.00 0.00 H new ATOM 944 N VAL A 61 -0.256 -6.953 5.880 1.00 0.00 N ATOM 945 CA VAL A 61 1.180 -6.719 5.768 1.00 0.00 C ATOM 946 C VAL A 61 1.664 -5.920 6.982 1.00 0.00 C ATOM 947 O VAL A 61 1.173 -4.830 7.279 1.00 0.00 O ATOM 948 CB VAL A 61 1.601 -6.105 4.411 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.307 -7.076 3.256 1.00 0.00 C ATOM 950 CG2 VAL A 61 0.971 -4.748 4.075 1.00 0.00 C ATOM 0 H VAL A 61 -0.837 -6.235 5.448 1.00 0.00 H new ATOM 0 HA VAL A 61 1.685 -7.685 5.777 1.00 0.00 H new ATOM 0 HB VAL A 61 2.671 -5.930 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.611 -6.622 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.862 -8.002 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.239 -7.293 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.333 -4.409 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.114 -4.849 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.245 -4.020 4.839 1.00 0.00 H new ATOM 960 N ASN A 62 2.650 -6.476 7.683 1.00 0.00 N ATOM 961 CA ASN A 62 3.405 -5.812 8.729 1.00 0.00 C ATOM 962 C ASN A 62 4.398 -4.869 8.052 1.00 0.00 C ATOM 963 O ASN A 62 5.557 -5.235 7.835 1.00 0.00 O ATOM 964 CB ASN A 62 4.106 -6.846 9.622 1.00 0.00 C ATOM 965 CG ASN A 62 4.972 -6.172 10.683 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.679 -5.070 11.138 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.050 -6.817 11.098 1.00 0.00 N ATOM 0 H ASN A 62 2.952 -7.438 7.528 1.00 0.00 H new ATOM 0 HA ASN A 62 2.748 -5.237 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.360 -7.476 10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.725 -7.500 9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.653 -6.399 11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.278 -7.732 10.709 1.00 0.00 H new ATOM 974 N GLY A 63 3.917 -3.694 7.635 1.00 0.00 N ATOM 975 CA GLY A 63 4.683 -2.573 7.105 1.00 0.00 C ATOM 976 C GLY A 63 5.264 -2.802 5.715 1.00 0.00 C ATOM 977 O GLY A 63 4.944 -2.062 4.786 1.00 0.00 O ATOM 0 H GLY A 63 2.918 -3.492 7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.041 -1.693 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.498 -2.350 7.793 1.00 0.00 H new ATOM 981 N ARG A 64 6.090 -3.836 5.565 1.00 0.00 N ATOM 982 CA ARG A 64 6.706 -4.276 4.316 1.00 0.00 C ATOM 983 C ARG A 64 6.812 -5.797 4.239 1.00 0.00 C ATOM 984 O ARG A 64 7.356 -6.296 3.255 1.00 0.00 O ATOM 985 CB ARG A 64 8.095 -3.636 4.153 1.00 0.00 C ATOM 986 CG ARG A 64 9.064 -3.964 5.304 1.00 0.00 C ATOM 987 CD ARG A 64 10.460 -3.457 4.947 1.00 0.00 C ATOM 988 NE ARG A 64 11.345 -3.311 6.113 1.00 0.00 N ATOM 989 CZ ARG A 64 12.678 -3.460 6.086 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.290 -4.050 5.056 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.418 -3.001 7.090 1.00 0.00 N ATOM 0 H ARG A 64 6.362 -4.421 6.355 1.00 0.00 H new ATOM 0 HA ARG A 64 6.062 -3.950 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.533 -3.973 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.981 -2.554 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.721 -3.499 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.089 -5.040 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.918 -4.146 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.371 -2.494 4.445 1.00 0.00 H new ATOM 0 HE ARG A 64 10.913 -3.079 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.743 -4.398 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.305 -4.153 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.972 -2.536 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.432 -3.114 7.070 1.00 0.00 H new ATOM 1005 N TYR A 65 6.319 -6.539 5.231 1.00 0.00 N ATOM 1006 CA TYR A 65 6.385 -7.995 5.246 1.00 0.00 C ATOM 1007 C TYR A 65 4.964 -8.538 5.293 1.00 0.00 C ATOM 1008 O TYR A 65 4.088 -7.867 5.832 1.00 0.00 O ATOM 1009 CB TYR A 65 7.169 -8.462 6.478 1.00 0.00 C ATOM 1010 CG TYR A 65 8.543 -7.839 6.650 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.573 -8.136 5.736 1.00 0.00 C ATOM 1012 CD2 TYR A 65 8.794 -6.962 7.724 1.00 0.00 C ATOM 1013 CE1 TYR A 65 10.849 -7.568 5.890 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.081 -6.428 7.913 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.120 -6.747 7.008 1.00 0.00 C ATOM 1016 OH TYR A 65 12.378 -6.282 7.240 1.00 0.00 O ATOM 0 H TYR A 65 5.860 -6.141 6.051 1.00 0.00 H new ATOM 0 HA TYR A 65 6.892 -8.361 4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.577 -8.247 7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.284 -9.545 6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.380 -8.805 4.911 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.996 -6.699 8.403 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.619 -7.758 5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.276 -5.774 8.750 1.00 0.00 H new ATOM 0 HH TYR A 65 12.379 -5.733 8.052 1.00 0.00 H new ATOM 1026 N THR A 66 4.698 -9.732 4.766 1.00 0.00 N ATOM 1027 CA THR A 66 3.412 -10.382 4.990 1.00 0.00 C ATOM 1028 C THR A 66 3.291 -10.784 6.464 1.00 0.00 C ATOM 1029 O THR A 66 4.251 -10.706 7.237 1.00 0.00 O ATOM 1030 CB THR A 66 3.241 -11.603 4.072 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.317 -12.509 4.233 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.133 -11.193 2.604 1.00 0.00 C ATOM 0 H THR A 66 5.349 -10.263 4.187 1.00 0.00 H new ATOM 0 HA THR A 66 2.616 -9.679 4.747 1.00 0.00 H new ATOM 0 HB THR A 66 2.312 -12.094 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.187 -13.279 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.013 -12.083 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.271 -10.540 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.038 -10.664 2.307 1.00 0.00 H new ATOM 1040 N ALA A 67 2.110 -11.275 6.839 1.00 0.00 N ATOM 1041 CA ALA A 67 1.886 -11.905 8.130 1.00 0.00 C ATOM 1042 C ALA A 67 2.849 -13.084 8.335 1.00 0.00 C ATOM 1043 O ALA A 67 3.348 -13.294 9.442 1.00 0.00 O ATOM 1044 CB ALA A 67 0.437 -12.392 8.178 1.00 0.00 C ATOM 0 H ALA A 67 1.279 -11.244 6.248 1.00 0.00 H new ATOM 0 HA ALA A 67 2.070 -11.185 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.245 -12.869 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.236 -11.544 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.268 -13.111 7.376 1.00 0.00 H new ATOM 1050 N ASP A 68 3.115 -13.842 7.266 1.00 0.00 N ATOM 1051 CA ASP A 68 4.077 -14.946 7.275 1.00 0.00 C ATOM 1052 C ASP A 68 5.518 -14.437 7.395 1.00 0.00 C ATOM 1053 O ASP A 68 6.319 -15.040 8.113 1.00 0.00 O ATOM 1054 CB ASP A 68 3.932 -15.797 6.010 1.00 0.00 C ATOM 1055 CG ASP A 68 4.935 -16.962 6.025 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.694 -17.959 6.746 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.953 -16.898 5.303 1.00 0.00 O ATOM 0 H ASP A 68 2.663 -13.704 6.362 1.00 0.00 H new ATOM 0 HA ASP A 68 3.859 -15.560 8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.916 -16.185 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.098 -15.178 5.128 1.00 0.00 H new ATOM 1062 N GLY A 69 5.838 -13.313 6.742 1.00 0.00 N ATOM 1063 CA GLY A 69 7.101 -12.592 6.903 1.00 0.00 C ATOM 1064 C GLY A 69 7.831 -12.306 5.586 1.00 0.00 C ATOM 1065 O GLY A 69 8.947 -11.783 5.618 1.00 0.00 O ATOM 0 H GLY A 69 5.209 -12.871 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.905 -11.647 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.758 -13.172 7.551 1.00 0.00 H new ATOM 1069 N LYS A 70 7.254 -12.661 4.434 1.00 0.00 N ATOM 1070 CA LYS A 70 7.866 -12.449 3.121 1.00 0.00 C ATOM 1071 C LYS A 70 7.902 -10.945 2.860 1.00 0.00 C ATOM 1072 O LYS A 70 6.870 -10.295 3.022 1.00 0.00 O ATOM 1073 CB LYS A 70 7.035 -13.156 2.031 1.00 0.00 C ATOM 1074 CG LYS A 70 6.780 -14.658 2.255 1.00 0.00 C ATOM 1075 CD LYS A 70 8.055 -15.502 2.147 1.00 0.00 C ATOM 1076 CE LYS A 70 7.720 -16.982 2.376 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.919 -17.852 2.292 1.00 0.00 N ATOM 0 H LYS A 70 6.339 -13.109 4.388 1.00 0.00 H new ATOM 0 HA LYS A 70 8.875 -12.862 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.072 -12.651 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.543 -13.031 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.337 -14.803 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.053 -15.011 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.507 -15.370 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.787 -15.167 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.257 -17.100 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.987 -17.305 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.642 -18.841 2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.348 -17.762 1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.609 -17.563 3.015 1.00 0.00 H new ATOM 1091 N GLU A 71 9.046 -10.375 2.473 1.00 0.00 N ATOM 1092 CA GLU A 71 9.106 -8.964 2.098 1.00 0.00 C ATOM 1093 C GLU A 71 8.280 -8.795 0.823 1.00 0.00 C ATOM 1094 O GLU A 71 8.460 -9.542 -0.138 1.00 0.00 O ATOM 1095 CB GLU A 71 10.560 -8.486 1.967 1.00 0.00 C ATOM 1096 CG GLU A 71 10.639 -6.954 1.869 1.00 0.00 C ATOM 1097 CD GLU A 71 12.075 -6.431 2.053 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.918 -6.627 1.148 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.359 -5.810 3.104 1.00 0.00 O ATOM 0 H GLU A 71 9.937 -10.867 2.412 1.00 0.00 H new ATOM 0 HA GLU A 71 8.679 -8.328 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.136 -8.827 2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.013 -8.933 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.260 -6.634 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.993 -6.510 2.626 1.00 0.00 H new ATOM 1106 N VAL A 72 7.376 -7.818 0.826 1.00 0.00 N ATOM 1107 CA VAL A 72 6.342 -7.621 -0.183 1.00 0.00 C ATOM 1108 C VAL A 72 6.902 -7.580 -1.607 1.00 0.00 C ATOM 1109 O VAL A 72 6.326 -8.212 -2.493 1.00 0.00 O ATOM 1110 CB VAL A 72 5.531 -6.361 0.201 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.705 -5.792 -0.961 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.600 -6.671 1.388 1.00 0.00 C ATOM 0 H VAL A 72 7.344 -7.114 1.563 1.00 0.00 H new ATOM 0 HA VAL A 72 5.672 -8.481 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 72 6.261 -5.600 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.161 -4.910 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.370 -5.517 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.997 -6.545 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.034 -5.777 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.911 -7.469 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.195 -6.987 2.245 1.00 0.00 H new ATOM 1122 N LEU A 73 8.009 -6.868 -1.848 1.00 0.00 N ATOM 1123 CA LEU A 73 8.501 -6.713 -3.215 1.00 0.00 C ATOM 1124 C LEU A 73 8.988 -8.056 -3.763 1.00 0.00 C ATOM 1125 O LEU A 73 8.679 -8.404 -4.902 1.00 0.00 O ATOM 1126 CB LEU A 73 9.615 -5.655 -3.310 1.00 0.00 C ATOM 1127 CG LEU A 73 9.203 -4.216 -2.935 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.383 -3.275 -3.204 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.975 -3.707 -3.702 1.00 0.00 C ATOM 0 H LEU A 73 8.567 -6.402 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 73 7.668 -6.363 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.436 -5.959 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.000 -5.649 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 73 8.931 -4.231 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.102 -2.255 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.238 -3.582 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.649 -3.318 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.745 -2.690 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.185 -3.716 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.122 -4.353 -3.494 1.00 0.00 H new ATOM 1141 N GLU A 74 9.708 -8.833 -2.949 1.00 0.00 N ATOM 1142 CA GLU A 74 10.181 -10.157 -3.339 1.00 0.00 C ATOM 1143 C GLU A 74 8.993 -11.118 -3.459 1.00 0.00 C ATOM 1144 O GLU A 74 8.921 -11.898 -4.408 1.00 0.00 O ATOM 1145 CB GLU A 74 11.214 -10.648 -2.310 1.00 0.00 C ATOM 1146 CG GLU A 74 11.862 -11.976 -2.726 1.00 0.00 C ATOM 1147 CD GLU A 74 12.978 -12.391 -1.751 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.150 -12.004 -1.959 1.00 0.00 O ATOM 1149 OE2 GLU A 74 12.702 -13.130 -0.779 1.00 0.00 O ATOM 0 H GLU A 74 9.977 -8.559 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 74 10.667 -10.113 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.988 -9.891 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.729 -10.770 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.102 -12.756 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.273 -11.882 -3.731 1.00 0.00 H new ATOM 1156 N TYR A 75 8.038 -11.032 -2.531 1.00 0.00 N ATOM 1157 CA TYR A 75 6.857 -11.881 -2.490 1.00 0.00 C ATOM 1158 C TYR A 75 6.025 -11.731 -3.764 1.00 0.00 C ATOM 1159 O TYR A 75 5.578 -12.730 -4.326 1.00 0.00 O ATOM 1160 CB TYR A 75 6.027 -11.512 -1.253 1.00 0.00 C ATOM 1161 CG TYR A 75 4.815 -12.387 -1.000 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.961 -13.781 -0.860 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.546 -11.798 -0.844 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.849 -14.586 -0.562 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.430 -12.596 -0.538 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.574 -13.996 -0.400 1.00 0.00 C ATOM 1167 OH TYR A 75 1.481 -14.758 -0.104 1.00 0.00 O ATOM 0 H TYR A 75 8.070 -10.352 -1.771 1.00 0.00 H new ATOM 0 HA TYR A 75 7.166 -12.924 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.674 -11.554 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.694 -10.479 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.934 -14.234 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.430 -10.731 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.968 -15.654 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.460 -12.139 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 75 0.846 -14.228 0.421 1.00 0.00 H new ATOM 1177 N LEU A 76 5.826 -10.498 -4.234 1.00 0.00 N ATOM 1178 CA LEU A 76 5.092 -10.219 -5.462 1.00 0.00 C ATOM 1179 C LEU A 76 5.943 -10.569 -6.686 1.00 0.00 C ATOM 1180 O LEU A 76 5.411 -11.065 -7.677 1.00 0.00 O ATOM 1181 CB LEU A 76 4.697 -8.735 -5.499 1.00 0.00 C ATOM 1182 CG LEU A 76 3.581 -8.348 -4.507 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.517 -6.823 -4.392 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.215 -8.880 -4.955 1.00 0.00 C ATOM 0 H LEU A 76 6.174 -9.661 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 76 4.191 -10.832 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.580 -8.131 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.373 -8.483 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 76 3.816 -8.795 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.730 -6.544 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.474 -6.445 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.302 -6.393 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.455 -8.587 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.965 -8.465 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.252 -9.967 -5.022 1.00 0.00 H new ATOM 1196 N GLY A 77 7.258 -10.325 -6.621 1.00 0.00 N ATOM 1197 CA GLY A 77 8.182 -10.603 -7.713 1.00 0.00 C ATOM 1198 C GLY A 77 8.320 -12.099 -8.006 1.00 0.00 C ATOM 1199 O GLY A 77 8.546 -12.474 -9.157 1.00 0.00 O ATOM 0 H GLY A 77 7.709 -9.925 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.839 -10.091 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.162 -10.194 -7.467 1.00 0.00 H new ATOM 1203 N ASN A 78 8.180 -12.950 -6.983 1.00 0.00 N ATOM 1204 CA ASN A 78 8.249 -14.407 -7.088 1.00 0.00 C ATOM 1205 C ASN A 78 7.244 -14.911 -8.138 1.00 0.00 C ATOM 1206 O ASN A 78 6.040 -14.728 -7.938 1.00 0.00 O ATOM 1207 CB ASN A 78 7.956 -15.025 -5.709 1.00 0.00 C ATOM 1208 CG ASN A 78 7.931 -16.552 -5.701 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.173 -17.218 -6.704 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.628 -17.147 -4.562 1.00 0.00 N ATOM 0 H ASN A 78 8.010 -12.630 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 78 9.247 -14.706 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.710 -14.681 -5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.994 -14.655 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.594 -18.165 -4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.428 -16.588 -3.732 1.00 0.00 H new ATOM 1217 N PRO A 79 7.676 -15.574 -9.229 1.00 0.00 N ATOM 1218 CA PRO A 79 6.772 -16.011 -10.285 1.00 0.00 C ATOM 1219 C PRO A 79 5.787 -17.102 -9.843 1.00 0.00 C ATOM 1220 O PRO A 79 4.749 -17.268 -10.486 1.00 0.00 O ATOM 1221 CB PRO A 79 7.662 -16.424 -11.458 1.00 0.00 C ATOM 1222 CG PRO A 79 8.966 -16.840 -10.780 1.00 0.00 C ATOM 1223 CD PRO A 79 9.053 -15.887 -9.587 1.00 0.00 C ATOM 0 HA PRO A 79 6.105 -15.200 -10.577 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.224 -17.245 -12.026 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.816 -15.601 -12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.941 -17.883 -10.463 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.821 -16.730 -11.447 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.578 -16.352 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.605 -14.984 -9.847 1.00 0.00 H new ATOM 1231 N ALA A 80 6.043 -17.799 -8.727 1.00 0.00 N ATOM 1232 CA ALA A 80 5.072 -18.710 -8.122 1.00 0.00 C ATOM 1233 C ALA A 80 3.851 -17.968 -7.549 1.00 0.00 C ATOM 1234 O ALA A 80 2.849 -18.607 -7.224 1.00 0.00 O ATOM 1235 CB ALA A 80 5.751 -19.521 -7.014 1.00 0.00 C ATOM 0 H ALA A 80 6.928 -17.745 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 80 4.710 -19.373 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.027 -20.200 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.574 -20.097 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.136 -18.844 -6.252 1.00 0.00 H new ATOM 1241 N ASN A 81 3.928 -16.641 -7.402 1.00 0.00 N ATOM 1242 CA ASN A 81 2.952 -15.797 -6.720 1.00 0.00 C ATOM 1243 C ASN A 81 2.673 -14.543 -7.566 1.00 0.00 C ATOM 1244 O ASN A 81 2.534 -13.440 -7.044 1.00 0.00 O ATOM 1245 CB ASN A 81 3.489 -15.475 -5.317 1.00 0.00 C ATOM 1246 CG ASN A 81 2.486 -14.700 -4.466 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.330 -15.087 -4.318 1.00 0.00 O ATOM 1248 ND2 ASN A 81 2.924 -13.613 -3.858 1.00 0.00 N ATOM 0 H ASN A 81 4.712 -16.105 -7.775 1.00 0.00 H new ATOM 0 HA ASN A 81 1.996 -16.307 -6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.748 -16.404 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.407 -14.895 -5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.299 -13.080 -3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.887 -13.306 -3.993 1.00 0.00 H new ATOM 1255 N TYR A 82 2.644 -14.698 -8.896 1.00 0.00 N ATOM 1256 CA TYR A 82 2.183 -13.651 -9.808 1.00 0.00 C ATOM 1257 C TYR A 82 0.697 -13.323 -9.579 1.00 0.00 C ATOM 1258 O TYR A 82 0.408 -12.153 -9.329 1.00 0.00 O ATOM 1259 CB TYR A 82 2.433 -14.063 -11.274 1.00 0.00 C ATOM 1260 CG TYR A 82 3.705 -13.569 -11.936 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.849 -13.210 -11.193 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.721 -13.439 -13.339 1.00 0.00 C ATOM 1263 CE1 TYR A 82 6.005 -12.751 -11.851 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.861 -12.952 -13.999 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.019 -12.622 -13.258 1.00 0.00 C ATOM 1266 OH TYR A 82 7.135 -12.147 -13.880 1.00 0.00 O ATOM 0 H TYR A 82 2.940 -15.553 -9.367 1.00 0.00 H new ATOM 0 HA TYR A 82 2.756 -12.748 -9.599 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.431 -15.152 -11.322 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.588 -13.716 -11.869 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.838 -13.288 -10.116 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.849 -13.716 -13.912 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.885 -12.496 -11.279 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.853 -12.830 -15.072 1.00 0.00 H new ATOM 0 HH TYR A 82 6.984 -12.120 -14.848 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.258 -14.275 -9.672 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.665 -13.973 -9.428 1.00 0.00 C ATOM 1278 C PRO A 83 -1.881 -13.771 -7.925 1.00 0.00 C ATOM 1279 O PRO A 83 -1.512 -14.634 -7.122 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.452 -15.164 -9.979 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.471 -16.330 -9.867 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.111 -15.668 -10.082 1.00 0.00 C ATOM 0 HA PRO A 83 -1.997 -13.056 -9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.358 -15.347 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.760 -14.997 -11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.533 -16.815 -8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.669 -17.095 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.660 -16.166 -9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.192 -15.735 -11.127 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.478 -12.642 -7.543 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.613 -12.210 -6.156 1.00 0.00 C ATOM 1292 C VAL A 84 -3.879 -11.370 -5.981 1.00 0.00 C ATOM 1293 O VAL A 84 -4.531 -10.982 -6.953 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.372 -11.392 -5.709 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.108 -12.249 -5.612 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.085 -10.181 -6.614 1.00 0.00 C ATOM 0 H VAL A 84 -2.891 -11.988 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.686 -13.100 -5.531 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.632 -11.025 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.730 -11.627 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.264 -13.046 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.112 -12.685 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.205 -9.652 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.903 -10.523 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.943 -9.508 -6.605 1.00 0.00 H new ATOM 1306 N SER A 85 -4.205 -11.067 -4.729 1.00 0.00 N ATOM 1307 CA SER A 85 -5.222 -10.100 -4.341 1.00 0.00 C ATOM 1308 C SER A 85 -4.506 -9.137 -3.400 1.00 0.00 C ATOM 1309 O SER A 85 -3.681 -9.586 -2.603 1.00 0.00 O ATOM 1310 CB SER A 85 -6.397 -10.803 -3.653 1.00 0.00 C ATOM 1311 OG SER A 85 -6.957 -11.798 -4.495 1.00 0.00 O ATOM 0 H SER A 85 -3.750 -11.505 -3.928 1.00 0.00 H new ATOM 0 HA SER A 85 -5.650 -9.575 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.059 -11.258 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.161 -10.071 -3.391 1.00 0.00 H new ATOM 0 HG SER A 85 -7.704 -12.234 -4.034 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.766 -7.833 -3.492 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.050 -6.818 -2.721 1.00 0.00 C ATOM 1319 C ILE A 86 -5.097 -5.842 -2.199 1.00 0.00 C ATOM 1320 O ILE A 86 -6.019 -5.483 -2.935 1.00 0.00 O ATOM 1321 CB ILE A 86 -2.966 -6.115 -3.585 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.004 -7.150 -4.219 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.178 -5.077 -2.759 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.851 -6.548 -5.024 1.00 0.00 C ATOM 0 H ILE A 86 -5.483 -7.449 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.510 -7.267 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.478 -5.587 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.589 -7.772 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.579 -7.807 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.427 -4.603 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.863 -4.319 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.686 -5.575 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.232 -7.349 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.252 -5.951 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.246 -5.915 -4.375 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.927 -5.395 -0.952 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.714 -4.342 -0.324 1.00 0.00 C ATOM 1338 C ARG A 87 -4.746 -3.223 0.020 1.00 0.00 C ATOM 1339 O ARG A 87 -3.709 -3.500 0.630 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.422 -4.878 0.934 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.262 -3.801 1.650 1.00 0.00 C ATOM 1342 CD ARG A 87 -7.901 -4.317 2.944 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.955 -5.305 2.674 1.00 0.00 N ATOM 1344 CZ ARG A 87 -10.043 -5.556 3.407 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.331 -4.879 4.519 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.843 -6.522 2.982 1.00 0.00 N ATOM 0 H ARG A 87 -4.210 -5.773 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.496 -3.978 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.068 -5.711 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.677 -5.271 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.629 -2.944 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.045 -3.449 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.134 -4.767 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.321 -3.480 3.501 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.843 -5.864 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.709 -4.137 4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.173 -5.103 5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.615 -7.035 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.687 -6.753 3.506 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.092 -1.984 -0.318 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.282 -0.789 -0.106 1.00 0.00 C ATOM 1362 C PHE A 88 -5.191 0.373 0.300 1.00 0.00 C ATOM 1363 O PHE A 88 -6.415 0.307 0.150 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.468 -0.461 -1.373 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.301 -0.270 -2.629 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -4.635 -1.383 -3.426 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.761 1.011 -2.992 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -5.464 -1.224 -4.550 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.576 1.172 -4.127 1.00 0.00 C ATOM 1370 CZ PHE A 88 -5.940 0.053 -4.899 1.00 0.00 C ATOM 0 H PHE A 88 -5.984 -1.777 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.569 -0.965 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.892 0.447 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.752 -1.264 -1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.253 -2.361 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.488 1.871 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.736 -2.083 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.923 2.156 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.584 0.174 -5.758 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.608 1.431 0.855 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.348 2.522 1.464 1.00 0.00 C ATOM 1382 C GLY A 89 -4.416 3.411 2.274 1.00 0.00 C ATOM 1383 O GLY A 89 -3.196 3.356 2.114 1.00 0.00 O ATOM 0 H GLY A 89 -3.596 1.553 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.841 3.111 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.131 2.123 2.109 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.973 4.270 3.128 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.153 5.030 4.074 1.00 0.00 C ATOM 1389 C ARG A 90 -3.579 4.026 5.084 1.00 0.00 C ATOM 1390 O ARG A 90 -4.295 3.086 5.442 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.970 6.145 4.762 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.462 7.229 3.783 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.801 6.887 3.104 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.852 7.365 1.713 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.699 8.254 1.179 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -8.639 8.857 1.902 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -7.575 8.525 -0.115 1.00 0.00 N ATOM 0 H ARG A 90 -5.974 4.456 3.185 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.342 5.541 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.830 5.700 5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.358 6.612 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.568 8.171 4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.704 7.384 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.951 5.808 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.619 7.332 3.671 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.157 6.971 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.731 8.647 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.268 9.529 1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.853 8.061 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.202 9.197 -0.558 1.00 0.00 H new ATOM 1411 N PRO A 91 -2.334 4.184 5.555 1.00 0.00 N ATOM 1412 CA PRO A 91 -1.703 3.195 6.420 1.00 0.00 C ATOM 1413 C PRO A 91 -2.445 3.033 7.755 1.00 0.00 C ATOM 1414 O PRO A 91 -3.192 3.913 8.190 1.00 0.00 O ATOM 1415 CB PRO A 91 -0.258 3.677 6.614 1.00 0.00 C ATOM 1416 CG PRO A 91 -0.322 5.176 6.322 1.00 0.00 C ATOM 1417 CD PRO A 91 -1.423 5.282 5.271 1.00 0.00 C ATOM 0 HA PRO A 91 -1.731 2.203 5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.094 3.483 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.426 3.168 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.563 5.750 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.629 5.554 5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.934 6.243 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.014 5.203 4.264 1.00 0.00 H new ATOM 1425 N ARG A 92 -2.195 1.903 8.422 1.00 0.00 N ATOM 1426 CA ARG A 92 -2.608 1.624 9.796 1.00 0.00 C ATOM 1427 C ARG A 92 -1.355 1.132 10.525 1.00 0.00 C ATOM 1428 O ARG A 92 -0.447 0.583 9.888 1.00 0.00 O ATOM 1429 CB ARG A 92 -3.734 0.569 9.869 1.00 0.00 C ATOM 1430 CG ARG A 92 -5.130 1.023 9.398 1.00 0.00 C ATOM 1431 CD ARG A 92 -5.371 0.826 7.895 1.00 0.00 C ATOM 1432 NE ARG A 92 -6.797 0.961 7.538 1.00 0.00 N ATOM 1433 CZ ARG A 92 -7.421 2.048 7.070 1.00 0.00 C ATOM 1434 NH1 ARG A 92 -6.760 3.155 6.756 1.00 0.00 N ATOM 1435 NH2 ARG A 92 -8.734 2.010 6.901 1.00 0.00 N ATOM 0 H ARG A 92 -1.680 1.129 8.002 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.019 2.523 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.435 -0.292 9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.816 0.227 10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.888 0.471 9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.261 2.077 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.787 1.557 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.015 -0.160 7.598 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.374 0.129 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.747 3.194 6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.265 3.967 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.253 1.161 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.226 2.829 6.545 1.00 0.00 H new ATOM 1449 N LEU A 93 -1.289 1.358 11.839 1.00 0.00 N ATOM 1450 CA LEU A 93 -0.113 1.029 12.643 1.00 0.00 C ATOM 1451 C LEU A 93 0.155 -0.476 12.596 1.00 0.00 C ATOM 1452 O LEU A 93 -0.772 -1.288 12.583 1.00 0.00 O ATOM 1453 CB LEU A 93 -0.314 1.511 14.091 1.00 0.00 C ATOM 1454 CG LEU A 93 0.892 1.305 15.033 1.00 0.00 C ATOM 1455 CD1 LEU A 93 2.136 2.076 14.572 1.00 0.00 C ATOM 1456 CD2 LEU A 93 0.520 1.765 16.446 1.00 0.00 C ATOM 0 H LEU A 93 -2.051 1.775 12.375 1.00 0.00 H new ATOM 0 HA LEU A 93 0.757 1.540 12.231 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.560 2.573 14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.175 0.992 14.512 1.00 0.00 H new ATOM 0 HG LEU A 93 1.134 0.242 15.019 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.954 1.896 15.269 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.426 1.738 13.577 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.913 3.142 14.542 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.371 1.620 17.112 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.251 2.821 16.426 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.327 1.182 16.807 1.00 0.00 H new ATOM 1468 N THR A 94 1.436 -0.829 12.603 1.00 0.00 N ATOM 1469 CA THR A 94 1.956 -2.192 12.625 1.00 0.00 C ATOM 1470 C THR A 94 3.382 -2.129 13.200 1.00 0.00 C ATOM 1471 O THR A 94 3.950 -1.039 13.328 1.00 0.00 O ATOM 1472 CB THR A 94 1.913 -2.834 11.214 1.00 0.00 C ATOM 1473 OG1 THR A 94 1.522 -1.928 10.193 1.00 0.00 O ATOM 1474 CG2 THR A 94 0.949 -4.023 11.174 1.00 0.00 C ATOM 0 H THR A 94 2.181 -0.133 12.593 1.00 0.00 H new ATOM 0 HA THR A 94 1.337 -2.832 13.254 1.00 0.00 H new ATOM 0 HB THR A 94 2.937 -3.156 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.516 -2.391 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.941 -4.451 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.274 -4.779 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.055 -3.686 11.433 1.00 0.00 H new ATOM 1482 N SER A 95 3.947 -3.275 13.586 1.00 0.00 N ATOM 1483 CA SER A 95 5.209 -3.352 14.319 1.00 0.00 C ATOM 1484 C SER A 95 6.394 -2.782 13.527 1.00 0.00 C ATOM 1485 O SER A 95 7.269 -2.135 14.108 1.00 0.00 O ATOM 1486 CB SER A 95 5.463 -4.817 14.699 1.00 0.00 C ATOM 1487 OG SER A 95 4.296 -5.415 15.252 1.00 0.00 O ATOM 0 H SER A 95 3.534 -4.188 13.395 1.00 0.00 H new ATOM 0 HA SER A 95 5.123 -2.735 15.214 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.778 -5.375 13.817 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.279 -4.872 15.419 1.00 0.00 H new ATOM 0 HG SER A 95 4.485 -6.348 15.484 1.00 0.00 H new ATOM 1493 N ASN A 96 6.423 -3.015 12.211 1.00 0.00 N ATOM 1494 CA ASN A 96 7.391 -2.424 11.292 1.00 0.00 C ATOM 1495 C ASN A 96 6.856 -1.053 10.893 1.00 0.00 C ATOM 1496 O ASN A 96 7.360 -0.043 11.425 1.00 0.00 O ATOM 1497 CB ASN A 96 7.613 -3.355 10.087 1.00 0.00 C ATOM 1498 CG ASN A 96 8.490 -2.729 9.003 1.00 0.00 C ATOM 1499 OD1 ASN A 96 9.620 -3.142 8.762 1.00 0.00 O ATOM 1500 ND2 ASN A 96 7.965 -1.743 8.308 1.00 0.00 N ATOM 1501 OXT ASN A 96 5.949 -0.993 10.031 1.00 0.00 O ATOM 0 H ASN A 96 5.758 -3.634 11.748 1.00 0.00 H new ATOM 0 HA ASN A 96 8.368 -2.300 11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.074 -4.281 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.647 -3.620 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.499 -1.309 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.024 -1.412 8.522 1.00 0.00 H new TER 1508 ASN A 96