USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1069 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 63 HIS : no HE2:sc= -0.961 K(o=-0.46,f=-3.7!) USER MOD Set 1.2: A 137 THR OG1 : rot 180:sc= 0.0309 USER MOD Set 1.3: A 142 SER OG : rot -94:sc= 0.474 USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.847 X(o=-0.93,f=-0.84) USER MOD Set 2.2: A 68 SER OG : rot 46:sc= 0.478 USER MOD Set 2.3: A 80 HIS : no HE2:sc= -0.561 K(o=-0.93,f=-8.3!) USER MOD Set 3.1: A 2 THR OG1 : rot 169:sc= 1.19 USER MOD Set 3.2: A 153 GLN : amide:sc= 1.13 K(o=2.3,f=0.27) USER MOD Single : A 1 ALA N :NH3+ 174:sc= 1.2 (180deg=1.11) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.89) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.109 (180deg=-0.569) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 22 GLN : amide:sc= -1.56! C(o=-1.6!,f=-11!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.267 USER MOD Single : A 26 ASN : amide:sc= -0.992 K(o=-0.99,f=-5.1!) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 1.21 (180deg=0.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 139:sc= -0.743 (180deg=-2.57!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-8.4!) USER MOD Single : A 53 ASN : amide:sc= 0.791 K(o=0.79,f=-3.9!) USER MOD Single : A 54 THR OG1 : rot 44:sc= 0.125 USER MOD Single : A 58 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 59 SER OG : rot 81:sc= 1.16 USER MOD Single : A 65 ASN : amide:sc= -3.27! C(o=-3.3!,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.25) USER MOD Single : A 71 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.026) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -143:sc= 0.306 USER MOD Single : A 102 SER OG : rot -77:sc= 1.27 USER MOD Single : A 105 SER OG : rot 179:sc= -0.286 USER MOD Single : A 107 SER OG : rot 117:sc= 1.06 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 111 SER OG : rot -146:sc= -2.48! USER MOD Single : A 116 THR OG1 : rot -140:sc= -1.05 USER MOD Single : A 120 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.4) USER MOD Single : A 122 LYS NZ :NH3+ 162:sc= -0.08 (180deg=-0.386) USER MOD Single : A 128 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0379) USER MOD Single : A 131 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.3!) USER MOD Single : A 134 SER OG : rot 79:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 27:sc= 1.32 USER MOD Single : A 136 LYS NZ :NH3+ -145:sc= 0.291 (180deg=0.025) USER MOD Single : A 139 ASN : amide:sc= -0.0164 K(o=-0.016,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.491 -11.798 0.989 1.00 0.00 N ATOM 2 CA ALA A 1 6.748 -12.435 0.542 1.00 0.00 C ATOM 3 C ALA A 1 6.437 -13.816 0.001 1.00 0.00 C ATOM 4 O ALA A 1 6.453 -14.015 -1.195 1.00 0.00 O ATOM 5 CB ALA A 1 7.774 -12.482 1.664 1.00 0.00 C ATOM 0 H1 ALA A 1 5.707 -10.893 1.454 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.877 -11.627 0.167 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.004 -12.425 1.661 1.00 0.00 H new ATOM 0 HA ALA A 1 7.192 -11.839 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.687 -12.956 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.998 -11.468 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.373 -13.056 2.500 1.00 0.00 H new ATOM 13 N THR A 2 6.137 -14.761 0.870 1.00 0.00 N ATOM 14 CA THR A 2 5.638 -16.048 0.428 1.00 0.00 C ATOM 15 C THR A 2 4.147 -15.875 0.148 1.00 0.00 C ATOM 16 O THR A 2 3.619 -16.359 -0.825 1.00 0.00 O ATOM 17 CB THR A 2 5.858 -17.088 1.533 1.00 0.00 C ATOM 18 OG1 THR A 2 5.403 -16.528 2.776 1.00 0.00 O ATOM 19 CG2 THR A 2 7.332 -17.452 1.651 1.00 0.00 C ATOM 0 H THR A 2 6.229 -14.663 1.881 1.00 0.00 H new ATOM 0 HA THR A 2 6.157 -16.391 -0.467 1.00 0.00 H new ATOM 0 HB THR A 2 5.303 -17.994 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.368 -17.231 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.462 -18.191 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.681 -17.867 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.909 -16.559 1.891 1.00 0.00 H new ATOM 27 N LYS A 3 3.541 -15.159 1.046 1.00 0.00 N ATOM 28 CA LYS A 3 2.184 -14.678 1.043 1.00 0.00 C ATOM 29 C LYS A 3 2.266 -13.414 1.851 1.00 0.00 C ATOM 30 O LYS A 3 3.368 -13.105 2.384 1.00 0.00 O ATOM 31 CB LYS A 3 1.185 -15.648 1.739 1.00 0.00 C ATOM 32 CG LYS A 3 0.311 -16.507 0.811 1.00 0.00 C ATOM 33 CD LYS A 3 1.089 -17.583 0.086 1.00 0.00 C ATOM 34 CE LYS A 3 0.210 -18.377 -0.869 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.390 -17.527 -1.929 1.00 0.00 N ATOM 0 H LYS A 3 4.033 -14.864 1.889 1.00 0.00 H new ATOM 0 HA LYS A 3 1.817 -14.558 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.752 -16.315 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.528 -15.060 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.481 -16.973 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.173 -15.861 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.908 -17.126 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.537 -18.260 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.803 -19.166 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.585 -18.865 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.793 -18.132 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.141 -16.937 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.344 -16.915 -2.340 1.00 0.00 H new ATOM 49 N ALA A 4 1.233 -12.647 1.896 1.00 0.00 N ATOM 50 CA ALA A 4 1.194 -11.517 2.761 1.00 0.00 C ATOM 51 C ALA A 4 -0.197 -11.329 3.139 1.00 0.00 C ATOM 52 O ALA A 4 -1.058 -11.691 2.383 1.00 0.00 O ATOM 53 CB ALA A 4 1.763 -10.264 2.113 1.00 0.00 C ATOM 0 H ALA A 4 0.392 -12.784 1.336 1.00 0.00 H new ATOM 0 HA ALA A 4 1.821 -11.697 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.708 -9.434 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.803 -10.438 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.186 -10.022 1.221 1.00 0.00 H new ATOM 59 N VAL A 5 -0.423 -10.874 4.305 1.00 0.00 N ATOM 60 CA VAL A 5 -1.738 -10.589 4.720 1.00 0.00 C ATOM 61 C VAL A 5 -1.810 -9.126 5.057 1.00 0.00 C ATOM 62 O VAL A 5 -0.777 -8.482 5.359 1.00 0.00 O ATOM 63 CB VAL A 5 -2.210 -11.458 5.929 1.00 0.00 C ATOM 64 CG1 VAL A 5 -2.123 -12.948 5.626 1.00 0.00 C ATOM 65 CG2 VAL A 5 -1.458 -11.108 7.204 1.00 0.00 C ATOM 0 H VAL A 5 0.298 -10.687 5.002 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.416 -10.838 3.903 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.261 -11.222 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.460 -13.516 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.755 -13.183 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.091 -13.213 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.816 -11.735 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.392 -11.279 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.627 -10.060 7.450 1.00 0.00 H new ATOM 75 N ALA A 6 -2.975 -8.607 4.969 1.00 0.00 N ATOM 76 CA ALA A 6 -3.229 -7.227 5.282 1.00 0.00 C ATOM 77 C ALA A 6 -4.478 -7.100 6.111 1.00 0.00 C ATOM 78 O ALA A 6 -5.519 -7.658 5.765 1.00 0.00 O ATOM 79 CB ALA A 6 -3.330 -6.384 4.027 1.00 0.00 C ATOM 0 H ALA A 6 -3.802 -9.125 4.674 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.385 -6.853 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.522 -5.346 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.394 -6.445 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.146 -6.753 3.406 1.00 0.00 H new ATOM 85 N VAL A 7 -4.372 -6.398 7.215 1.00 0.00 N ATOM 86 CA VAL A 7 -5.490 -6.197 8.118 1.00 0.00 C ATOM 87 C VAL A 7 -5.559 -4.733 8.517 1.00 0.00 C ATOM 88 O VAL A 7 -4.660 -4.210 9.201 1.00 0.00 O ATOM 89 CB VAL A 7 -5.395 -7.073 9.412 1.00 0.00 C ATOM 90 CG1 VAL A 7 -6.628 -6.885 10.283 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.203 -8.547 9.083 1.00 0.00 C ATOM 0 H VAL A 7 -3.508 -5.948 7.516 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.390 -6.501 7.583 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.518 -6.737 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.540 -7.503 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.712 -5.838 10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.516 -7.179 9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.142 -9.121 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.047 -8.901 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.282 -8.676 8.514 1.00 0.00 H new ATOM 101 N LEU A 8 -6.578 -4.071 8.067 1.00 0.00 N ATOM 102 CA LEU A 8 -6.777 -2.690 8.400 1.00 0.00 C ATOM 103 C LEU A 8 -8.092 -2.508 9.134 1.00 0.00 C ATOM 104 O LEU A 8 -9.076 -3.201 8.852 1.00 0.00 O ATOM 105 CB LEU A 8 -6.679 -1.745 7.159 1.00 0.00 C ATOM 106 CG LEU A 8 -7.706 -1.905 6.004 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.577 -0.740 5.039 1.00 0.00 C ATOM 108 CD2 LEU A 8 -7.499 -3.203 5.228 1.00 0.00 C ATOM 0 H LEU A 8 -7.295 -4.468 7.460 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.963 -2.399 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.749 -0.719 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.683 -1.865 6.732 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.698 -1.927 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.299 -0.856 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.771 0.193 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.569 -0.720 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.239 -3.272 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.498 -3.213 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.612 -4.052 5.902 1.00 0.00 H new ATOM 120 N LYS A 9 -8.079 -1.631 10.091 1.00 0.00 N ATOM 121 CA LYS A 9 -9.205 -1.275 10.858 1.00 0.00 C ATOM 122 C LYS A 9 -8.938 0.182 11.171 1.00 0.00 C ATOM 123 O LYS A 9 -7.776 0.580 11.195 1.00 0.00 O ATOM 124 CB LYS A 9 -9.238 -2.164 12.122 1.00 0.00 C ATOM 125 CG LYS A 9 -10.590 -2.287 12.826 1.00 0.00 C ATOM 126 CD LYS A 9 -10.994 -1.043 13.595 1.00 0.00 C ATOM 127 CE LYS A 9 -12.319 -1.258 14.305 1.00 0.00 C ATOM 128 NZ LYS A 9 -12.280 -2.440 15.192 1.00 0.00 N ATOM 0 H LYS A 9 -7.235 -1.127 10.361 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.171 -1.411 10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.903 -3.164 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.514 -1.771 12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.357 -2.509 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.556 -3.133 13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.222 -0.793 14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.075 -0.197 12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.566 -0.372 14.890 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.111 -1.383 13.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.052 -2.379 15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.392 -3.304 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.368 -2.470 15.691 1.00 0.00 H new ATOM 142 N GLY A 10 -9.937 0.992 11.301 1.00 0.00 N ATOM 143 CA GLY A 10 -9.659 2.368 11.548 1.00 0.00 C ATOM 144 C GLY A 10 -10.759 3.074 12.241 1.00 0.00 C ATOM 145 O GLY A 10 -11.602 2.449 12.883 1.00 0.00 O ATOM 0 H GLY A 10 -10.923 0.737 11.243 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.752 2.446 12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.458 2.866 10.600 1.00 0.00 H new ATOM 149 N ASP A 11 -10.734 4.380 12.096 1.00 0.00 N ATOM 150 CA ASP A 11 -11.733 5.272 12.650 1.00 0.00 C ATOM 151 C ASP A 11 -13.029 5.025 11.921 1.00 0.00 C ATOM 152 O ASP A 11 -14.091 4.856 12.530 1.00 0.00 O ATOM 153 CB ASP A 11 -11.282 6.725 12.487 1.00 0.00 C ATOM 154 CG ASP A 11 -12.250 7.706 13.098 1.00 0.00 C ATOM 155 OD1 ASP A 11 -12.460 7.653 14.331 1.00 0.00 O ATOM 156 OD2 ASP A 11 -12.769 8.572 12.384 1.00 0.00 O ATOM 0 H ASP A 11 -10.002 4.865 11.577 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.869 5.085 13.715 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.303 6.851 12.949 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.165 6.948 11.427 1.00 0.00 H new ATOM 161 N GLY A 12 -12.911 4.966 10.620 1.00 0.00 N ATOM 162 CA GLY A 12 -13.977 4.564 9.757 1.00 0.00 C ATOM 163 C GLY A 12 -13.541 3.271 9.119 1.00 0.00 C ATOM 164 O GLY A 12 -12.764 3.304 8.170 1.00 0.00 O ATOM 0 H GLY A 12 -12.050 5.202 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.901 4.428 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.172 5.324 9.001 1.00 0.00 H new ATOM 168 N PRO A 13 -13.940 2.106 9.668 1.00 0.00 N ATOM 169 CA PRO A 13 -13.440 0.833 9.214 1.00 0.00 C ATOM 170 C PRO A 13 -13.821 0.499 7.798 1.00 0.00 C ATOM 171 O PRO A 13 -14.999 0.508 7.409 1.00 0.00 O ATOM 172 CB PRO A 13 -14.049 -0.193 10.188 1.00 0.00 C ATOM 173 CG PRO A 13 -14.564 0.615 11.320 1.00 0.00 C ATOM 174 CD PRO A 13 -14.928 1.939 10.729 1.00 0.00 C ATOM 0 HA PRO A 13 -12.350 0.838 9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.848 -0.763 9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.301 -0.912 10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -15.430 0.139 11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.809 0.726 12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.945 1.941 10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.869 2.740 11.466 1.00 0.00 H new ATOM 182 N VAL A 14 -12.816 0.193 7.059 1.00 0.00 N ATOM 183 CA VAL A 14 -12.897 -0.275 5.762 1.00 0.00 C ATOM 184 C VAL A 14 -12.099 -1.538 5.836 1.00 0.00 C ATOM 185 O VAL A 14 -11.038 -1.568 6.477 1.00 0.00 O ATOM 186 CB VAL A 14 -12.332 0.759 4.734 1.00 0.00 C ATOM 187 CG1 VAL A 14 -13.132 2.047 4.831 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.851 1.064 4.958 1.00 0.00 C ATOM 0 H VAL A 14 -11.854 0.277 7.389 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.915 -0.441 5.409 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.425 0.318 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.742 2.772 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.179 1.843 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.049 2.452 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.512 1.787 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.712 1.477 5.957 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.272 0.146 4.860 1.00 0.00 H new ATOM 198 N GLN A 15 -12.609 -2.576 5.325 1.00 0.00 N ATOM 199 CA GLN A 15 -12.001 -3.861 5.568 1.00 0.00 C ATOM 200 C GLN A 15 -11.594 -4.554 4.302 1.00 0.00 C ATOM 201 O GLN A 15 -12.307 -4.514 3.305 1.00 0.00 O ATOM 202 CB GLN A 15 -12.933 -4.724 6.410 1.00 0.00 C ATOM 203 CG GLN A 15 -13.178 -4.161 7.807 1.00 0.00 C ATOM 204 CD GLN A 15 -14.168 -4.967 8.601 1.00 0.00 C ATOM 205 OE1 GLN A 15 -15.086 -5.564 8.046 1.00 0.00 O ATOM 206 NE2 GLN A 15 -13.982 -5.024 9.895 1.00 0.00 N ATOM 0 H GLN A 15 -13.441 -2.590 4.735 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.079 -3.695 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.888 -4.826 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.510 -5.725 6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.232 -4.122 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.538 -3.136 7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.208 -4.515 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.611 -5.578 10.477 1.00 0.00 H new ATOM 215 N GLY A 16 -10.432 -5.153 4.333 1.00 0.00 N ATOM 216 CA GLY A 16 -9.933 -5.845 3.221 1.00 0.00 C ATOM 217 C GLY A 16 -8.706 -6.623 3.574 1.00 0.00 C ATOM 218 O GLY A 16 -8.179 -6.466 4.681 1.00 0.00 O ATOM 0 H GLY A 16 -9.817 -5.162 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.697 -6.521 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.702 -5.139 2.424 1.00 0.00 H new ATOM 222 N ILE A 17 -8.250 -7.448 2.664 1.00 0.00 N ATOM 223 CA ILE A 17 -7.074 -8.264 2.848 1.00 0.00 C ATOM 224 C ILE A 17 -6.299 -8.187 1.563 1.00 0.00 C ATOM 225 O ILE A 17 -6.910 -8.131 0.513 1.00 0.00 O ATOM 226 CB ILE A 17 -7.418 -9.764 3.160 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.328 -10.371 2.067 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.041 -9.917 4.545 1.00 0.00 C ATOM 229 CD1 ILE A 17 -8.636 -11.838 2.256 1.00 0.00 C ATOM 0 H ILE A 17 -8.695 -7.574 1.755 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.509 -7.895 3.703 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.481 -10.321 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.266 -9.816 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.851 -10.234 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.267 -10.967 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.341 -9.559 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.961 -9.334 4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.279 -12.182 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.707 -12.409 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.144 -11.983 3.209 1.00 0.00 H new ATOM 241 N ILE A 18 -4.996 -8.091 1.647 1.00 0.00 N ATOM 242 CA ILE A 18 -4.127 -8.024 0.465 1.00 0.00 C ATOM 243 C ILE A 18 -3.056 -9.096 0.619 1.00 0.00 C ATOM 244 O ILE A 18 -2.397 -9.143 1.654 1.00 0.00 O ATOM 245 CB ILE A 18 -3.421 -6.609 0.277 1.00 0.00 C ATOM 246 CG1 ILE A 18 -4.420 -5.436 0.042 1.00 0.00 C ATOM 247 CG2 ILE A 18 -2.407 -6.645 -0.865 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.207 -4.970 1.254 1.00 0.00 C ATOM 0 H ILE A 18 -4.492 -8.056 2.533 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.748 -8.180 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.912 -6.416 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.863 -4.586 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.128 -5.739 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.941 -5.665 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.641 -7.389 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.914 -6.906 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.867 -4.152 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.802 -5.797 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.518 -4.626 2.025 1.00 0.00 H new ATOM 260 N ASN A 19 -2.883 -9.943 -0.390 1.00 0.00 N ATOM 261 CA ASN A 19 -1.949 -11.034 -0.309 1.00 0.00 C ATOM 262 C ASN A 19 -0.916 -10.854 -1.377 1.00 0.00 C ATOM 263 O ASN A 19 -1.273 -10.817 -2.554 1.00 0.00 O ATOM 264 CB ASN A 19 -2.658 -12.373 -0.575 1.00 0.00 C ATOM 265 CG ASN A 19 -3.853 -12.676 0.322 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.924 -12.264 1.467 1.00 0.00 O ATOM 267 ND2 ASN A 19 -4.810 -13.405 -0.215 1.00 0.00 N ATOM 0 H ASN A 19 -3.387 -9.885 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.505 -11.043 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.993 -12.387 -1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.930 -13.177 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.640 -13.639 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.721 -13.735 -1.176 1.00 0.00 H new ATOM 274 N PHE A 20 0.356 -10.725 -1.012 1.00 0.00 N ATOM 275 CA PHE A 20 1.367 -10.593 -2.046 1.00 0.00 C ATOM 276 C PHE A 20 2.544 -11.515 -1.844 1.00 0.00 C ATOM 277 O PHE A 20 3.023 -11.735 -0.697 1.00 0.00 O ATOM 278 CB PHE A 20 1.845 -9.134 -2.273 1.00 0.00 C ATOM 279 CG PHE A 20 2.512 -8.449 -1.108 1.00 0.00 C ATOM 280 CD1 PHE A 20 3.793 -8.808 -0.696 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.867 -7.439 -0.441 1.00 0.00 C ATOM 282 CE1 PHE A 20 4.402 -8.170 0.360 1.00 0.00 C ATOM 283 CE2 PHE A 20 2.472 -6.798 0.604 1.00 0.00 C ATOM 284 CZ PHE A 20 3.741 -7.162 1.012 1.00 0.00 C ATOM 0 H PHE A 20 0.698 -10.710 -0.051 1.00 0.00 H new ATOM 0 HA PHE A 20 0.856 -10.903 -2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.540 -9.131 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.983 -8.536 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.316 -9.599 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.872 -7.147 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.394 -8.461 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.954 -6.000 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.210 -6.654 1.842 1.00 0.00 H new ATOM 294 N GLU A 21 3.039 -12.058 -2.925 1.00 0.00 N ATOM 295 CA GLU A 21 4.200 -12.864 -2.834 1.00 0.00 C ATOM 296 C GLU A 21 5.231 -12.521 -3.905 1.00 0.00 C ATOM 297 O GLU A 21 5.162 -12.969 -5.055 1.00 0.00 O ATOM 298 CB GLU A 21 3.760 -14.303 -2.959 1.00 0.00 C ATOM 299 CG GLU A 21 2.783 -14.541 -4.101 1.00 0.00 C ATOM 300 CD GLU A 21 2.315 -15.946 -4.179 1.00 0.00 C ATOM 301 OE1 GLU A 21 3.072 -16.800 -4.691 1.00 0.00 O ATOM 302 OE2 GLU A 21 1.163 -16.228 -3.748 1.00 0.00 O ATOM 0 H GLU A 21 2.653 -11.952 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 21 4.691 -12.685 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.638 -14.932 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.296 -14.616 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.922 -13.883 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.260 -14.270 -5.043 1.00 0.00 H new ATOM 309 N GLN A 22 6.143 -11.683 -3.498 1.00 0.00 N ATOM 310 CA GLN A 22 7.341 -11.315 -4.189 1.00 0.00 C ATOM 311 C GLN A 22 8.313 -10.773 -3.179 1.00 0.00 C ATOM 312 O GLN A 22 7.893 -10.476 -2.032 1.00 0.00 O ATOM 313 CB GLN A 22 7.101 -10.308 -5.311 1.00 0.00 C ATOM 314 CG GLN A 22 6.902 -10.934 -6.669 1.00 0.00 C ATOM 315 CD GLN A 22 8.107 -11.710 -7.111 1.00 0.00 C ATOM 316 OE1 GLN A 22 9.237 -11.382 -6.744 1.00 0.00 O ATOM 317 NE2 GLN A 22 7.890 -12.724 -7.893 1.00 0.00 N ATOM 0 H GLN A 22 6.058 -11.203 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 22 7.745 -12.202 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.223 -9.710 -5.066 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.949 -9.625 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.036 -11.595 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.685 -10.155 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.937 -12.959 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.672 -13.286 -8.229 1.00 0.00 H new ATOM 326 N LYS A 23 9.566 -10.694 -3.547 1.00 0.00 N ATOM 327 CA LYS A 23 10.528 -9.898 -2.809 1.00 0.00 C ATOM 328 C LYS A 23 11.762 -9.547 -3.660 1.00 0.00 C ATOM 329 O LYS A 23 11.816 -8.510 -4.288 1.00 0.00 O ATOM 330 CB LYS A 23 10.909 -10.437 -1.385 1.00 0.00 C ATOM 331 CG LYS A 23 11.412 -11.882 -1.282 1.00 0.00 C ATOM 332 CD LYS A 23 12.341 -12.011 -0.085 1.00 0.00 C ATOM 333 CE LYS A 23 13.044 -13.348 -0.048 1.00 0.00 C ATOM 334 NZ LYS A 23 14.121 -13.368 0.964 1.00 0.00 N ATOM 0 H LYS A 23 9.952 -11.174 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 23 9.996 -8.971 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.679 -9.784 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.033 -10.340 -0.744 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.569 -12.565 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.937 -12.162 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.083 -11.213 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.768 -11.878 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.322 -14.134 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.463 -13.567 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.582 -14.300 0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.823 -12.634 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.717 -13.183 1.904 1.00 0.00 H new ATOM 348 N GLU A 24 12.726 -10.408 -3.677 1.00 0.00 N ATOM 349 CA GLU A 24 13.925 -10.224 -4.445 1.00 0.00 C ATOM 350 C GLU A 24 13.766 -10.898 -5.818 1.00 0.00 C ATOM 351 O GLU A 24 14.377 -10.496 -6.816 1.00 0.00 O ATOM 352 CB GLU A 24 15.045 -10.842 -3.637 1.00 0.00 C ATOM 353 CG GLU A 24 16.444 -10.616 -4.130 1.00 0.00 C ATOM 354 CD GLU A 24 17.417 -11.209 -3.162 1.00 0.00 C ATOM 355 OE1 GLU A 24 17.772 -10.534 -2.182 1.00 0.00 O ATOM 356 OE2 GLU A 24 17.777 -12.389 -3.321 1.00 0.00 O ATOM 0 H GLU A 24 12.707 -11.280 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 24 14.139 -9.172 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.979 -10.460 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.873 -11.917 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.572 -11.069 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.633 -9.548 -4.243 1.00 0.00 H new ATOM 363 N SER A 25 12.905 -11.896 -5.821 1.00 0.00 N ATOM 364 CA SER A 25 12.644 -12.825 -6.901 1.00 0.00 C ATOM 365 C SER A 25 12.457 -12.171 -8.289 1.00 0.00 C ATOM 366 O SER A 25 13.200 -12.502 -9.222 1.00 0.00 O ATOM 367 CB SER A 25 11.395 -13.567 -6.503 1.00 0.00 C ATOM 368 OG SER A 25 11.313 -13.614 -5.068 1.00 0.00 O ATOM 0 H SER A 25 12.325 -12.093 -5.005 1.00 0.00 H new ATOM 0 HA SER A 25 13.513 -13.471 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.516 -13.071 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.411 -14.577 -6.912 1.00 0.00 H new ATOM 0 HG SER A 25 10.501 -14.094 -4.802 1.00 0.00 H new ATOM 374 N ASN A 26 11.485 -11.243 -8.390 1.00 0.00 N ATOM 375 CA ASN A 26 11.070 -10.573 -9.658 1.00 0.00 C ATOM 376 C ASN A 26 10.230 -11.526 -10.511 1.00 0.00 C ATOM 377 O ASN A 26 10.502 -12.735 -10.565 1.00 0.00 O ATOM 378 CB ASN A 26 12.266 -9.994 -10.464 1.00 0.00 C ATOM 379 CG ASN A 26 11.845 -9.189 -11.698 1.00 0.00 C ATOM 380 OD1 ASN A 26 10.776 -8.573 -11.729 1.00 0.00 O ATOM 381 ND2 ASN A 26 12.687 -9.164 -12.696 1.00 0.00 N ATOM 0 H ASN A 26 10.950 -10.926 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 26 10.458 -9.715 -9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.859 -9.355 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.911 -10.814 -10.779 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.469 -8.624 -13.533 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.562 -9.685 -12.638 1.00 0.00 H new ATOM 388 N GLY A 27 9.191 -11.001 -11.131 1.00 0.00 N ATOM 389 CA GLY A 27 8.301 -11.828 -11.917 1.00 0.00 C ATOM 390 C GLY A 27 6.913 -11.278 -11.922 1.00 0.00 C ATOM 391 O GLY A 27 6.700 -10.149 -11.470 1.00 0.00 O ATOM 0 H GLY A 27 8.945 -10.012 -11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.672 -11.895 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.292 -12.841 -11.514 1.00 0.00 H new ATOM 395 N PRO A 28 5.944 -12.010 -12.442 1.00 0.00 N ATOM 396 CA PRO A 28 4.570 -11.571 -12.410 1.00 0.00 C ATOM 397 C PRO A 28 4.032 -11.620 -10.980 1.00 0.00 C ATOM 398 O PRO A 28 4.089 -12.661 -10.305 1.00 0.00 O ATOM 399 CB PRO A 28 3.840 -12.578 -13.304 1.00 0.00 C ATOM 400 CG PRO A 28 4.707 -13.794 -13.314 1.00 0.00 C ATOM 401 CD PRO A 28 6.113 -13.317 -13.111 1.00 0.00 C ATOM 0 HA PRO A 28 4.442 -10.544 -12.751 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.848 -12.805 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.703 -12.184 -14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.414 -14.485 -12.524 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.612 -14.330 -14.258 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.687 -14.011 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.643 -13.217 -14.058 1.00 0.00 H new ATOM 409 N VAL A 29 3.543 -10.508 -10.503 1.00 0.00 N ATOM 410 CA VAL A 29 3.019 -10.468 -9.171 1.00 0.00 C ATOM 411 C VAL A 29 1.575 -10.903 -9.131 1.00 0.00 C ATOM 412 O VAL A 29 0.669 -10.157 -9.497 1.00 0.00 O ATOM 413 CB VAL A 29 3.199 -9.086 -8.445 1.00 0.00 C ATOM 414 CG1 VAL A 29 4.637 -8.820 -8.144 1.00 0.00 C ATOM 415 CG2 VAL A 29 2.639 -7.942 -9.245 1.00 0.00 C ATOM 0 H VAL A 29 3.498 -9.626 -11.014 1.00 0.00 H new ATOM 0 HA VAL A 29 3.623 -11.182 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 29 2.639 -9.156 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.732 -7.857 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.025 -9.607 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.206 -8.802 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.788 -7.010 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.149 -7.886 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.573 -8.100 -9.409 1.00 0.00 H new ATOM 425 N LYS A 30 1.351 -12.130 -8.777 1.00 0.00 N ATOM 426 CA LYS A 30 0.011 -12.536 -8.556 1.00 0.00 C ATOM 427 C LYS A 30 -0.340 -12.313 -7.105 1.00 0.00 C ATOM 428 O LYS A 30 0.200 -12.948 -6.182 1.00 0.00 O ATOM 429 CB LYS A 30 -0.336 -13.929 -9.140 1.00 0.00 C ATOM 430 CG LYS A 30 0.431 -15.165 -8.646 1.00 0.00 C ATOM 431 CD LYS A 30 -0.104 -15.706 -7.326 1.00 0.00 C ATOM 432 CE LYS A 30 0.462 -17.080 -7.027 1.00 0.00 C ATOM 433 NZ LYS A 30 -0.023 -17.617 -5.740 1.00 0.00 N ATOM 0 H LYS A 30 2.063 -12.847 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.656 -11.902 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.396 -14.106 -8.956 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.205 -13.873 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.375 -15.947 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.484 -14.910 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.153 -15.020 -6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.192 -15.759 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.190 -17.765 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.551 -17.026 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.479 -18.501 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.153 -16.923 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.044 -17.806 -5.805 1.00 0.00 H new ATOM 447 N VAL A 31 -1.160 -11.340 -6.907 1.00 0.00 N ATOM 448 CA VAL A 31 -1.518 -10.854 -5.640 1.00 0.00 C ATOM 449 C VAL A 31 -3.002 -10.672 -5.680 1.00 0.00 C ATOM 450 O VAL A 31 -3.574 -10.534 -6.765 1.00 0.00 O ATOM 451 CB VAL A 31 -0.816 -9.467 -5.326 1.00 0.00 C ATOM 452 CG1 VAL A 31 0.691 -9.558 -5.477 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.357 -8.325 -6.187 1.00 0.00 C ATOM 0 H VAL A 31 -1.617 -10.843 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.204 -11.547 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.054 -9.240 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.138 -8.589 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.081 -10.305 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.938 -9.845 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.841 -7.400 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.191 -8.553 -7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.425 -8.207 -6.006 1.00 0.00 H new ATOM 463 N TRP A 32 -3.630 -10.754 -4.584 1.00 0.00 N ATOM 464 CA TRP A 32 -5.040 -10.560 -4.555 1.00 0.00 C ATOM 465 C TRP A 32 -5.433 -9.844 -3.294 1.00 0.00 C ATOM 466 O TRP A 32 -5.016 -10.233 -2.206 1.00 0.00 O ATOM 467 CB TRP A 32 -5.779 -11.903 -4.687 1.00 0.00 C ATOM 468 CG TRP A 32 -7.264 -11.763 -4.662 1.00 0.00 C ATOM 469 CD1 TRP A 32 -8.093 -12.093 -3.636 1.00 0.00 C ATOM 470 CD2 TRP A 32 -8.102 -11.224 -5.697 1.00 0.00 C ATOM 471 NE1 TRP A 32 -9.388 -11.806 -3.968 1.00 0.00 N ATOM 472 CE2 TRP A 32 -9.424 -11.269 -5.224 1.00 0.00 C ATOM 473 CE3 TRP A 32 -7.862 -10.710 -6.975 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -10.504 -10.821 -5.979 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -8.934 -10.266 -7.724 1.00 0.00 C ATOM 476 CH2 TRP A 32 -10.240 -10.323 -7.223 1.00 0.00 C ATOM 0 H TRP A 32 -3.201 -10.955 -3.681 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.328 -9.942 -5.405 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.482 -12.384 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.469 -12.562 -3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.775 -12.520 -2.696 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.200 -11.967 -3.372 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.858 -10.661 -7.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.513 -10.865 -5.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.762 -9.868 -8.713 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.056 -9.966 -7.833 1.00 0.00 H new ATOM 487 N GLY A 33 -6.156 -8.763 -3.442 1.00 0.00 N ATOM 488 CA GLY A 33 -6.673 -8.097 -2.312 1.00 0.00 C ATOM 489 C GLY A 33 -8.019 -7.499 -2.589 1.00 0.00 C ATOM 490 O GLY A 33 -8.266 -7.018 -3.685 1.00 0.00 O ATOM 0 H GLY A 33 -6.390 -8.339 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.750 -8.797 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.982 -7.312 -2.005 1.00 0.00 H new ATOM 494 N SER A 34 -8.889 -7.587 -1.640 1.00 0.00 N ATOM 495 CA SER A 34 -10.187 -7.002 -1.706 1.00 0.00 C ATOM 496 C SER A 34 -10.257 -5.960 -0.606 1.00 0.00 C ATOM 497 O SER A 34 -9.697 -6.207 0.435 1.00 0.00 O ATOM 498 CB SER A 34 -11.216 -8.105 -1.492 1.00 0.00 C ATOM 499 OG SER A 34 -10.962 -9.186 -2.390 1.00 0.00 O ATOM 0 H SER A 34 -8.711 -8.085 -0.768 1.00 0.00 H new ATOM 0 HA SER A 34 -10.387 -6.530 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.174 -8.459 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.220 -7.714 -1.654 1.00 0.00 H new ATOM 0 HG SER A 34 -11.625 -9.893 -2.247 1.00 0.00 H new ATOM 505 N ILE A 35 -10.861 -4.813 -0.839 1.00 0.00 N ATOM 506 CA ILE A 35 -11.092 -3.821 0.220 1.00 0.00 C ATOM 507 C ILE A 35 -12.454 -3.183 0.012 1.00 0.00 C ATOM 508 O ILE A 35 -12.790 -2.797 -1.107 1.00 0.00 O ATOM 509 CB ILE A 35 -9.985 -2.694 0.326 1.00 0.00 C ATOM 510 CG1 ILE A 35 -9.750 -1.992 -1.015 1.00 0.00 C ATOM 511 CG2 ILE A 35 -8.676 -3.212 0.919 1.00 0.00 C ATOM 512 CD1 ILE A 35 -8.745 -0.849 -0.960 1.00 0.00 C ATOM 0 H ILE A 35 -11.208 -4.533 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.044 -4.366 1.163 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.375 -1.951 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.405 -2.728 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.701 -1.606 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.952 -2.399 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.858 -3.598 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.282 -4.010 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.640 -0.409 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.096 -0.089 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.779 -1.229 -0.627 1.00 0.00 H new ATOM 524 N LYS A 36 -13.233 -3.115 1.058 1.00 0.00 N ATOM 525 CA LYS A 36 -14.527 -2.542 1.029 1.00 0.00 C ATOM 526 C LYS A 36 -14.496 -1.286 1.848 1.00 0.00 C ATOM 527 O LYS A 36 -13.989 -1.284 2.967 1.00 0.00 O ATOM 528 CB LYS A 36 -15.601 -3.551 1.505 1.00 0.00 C ATOM 529 CG LYS A 36 -15.433 -4.116 2.899 1.00 0.00 C ATOM 530 CD LYS A 36 -16.445 -5.238 3.222 1.00 0.00 C ATOM 531 CE LYS A 36 -17.920 -4.791 3.163 1.00 0.00 C ATOM 532 NZ LYS A 36 -18.470 -4.677 1.777 1.00 0.00 N ATOM 0 H LYS A 36 -12.965 -3.471 1.975 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.809 -2.286 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.574 -3.063 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.622 -4.383 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.421 -4.505 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.545 -3.312 3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.297 -6.059 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.234 -5.627 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.526 -5.501 3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.016 -3.826 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.438 -5.056 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.483 -3.678 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.872 -5.218 1.121 1.00 0.00 H new ATOM 546 N GLY A 37 -15.027 -0.250 1.299 1.00 0.00 N ATOM 547 CA GLY A 37 -14.885 1.046 1.851 1.00 0.00 C ATOM 548 C GLY A 37 -16.124 1.835 1.691 1.00 0.00 C ATOM 549 O GLY A 37 -17.108 1.323 1.155 1.00 0.00 O ATOM 0 H GLY A 37 -15.579 -0.282 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.635 0.968 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.057 1.562 1.365 1.00 0.00 H new ATOM 553 N LEU A 38 -16.133 3.023 2.257 1.00 0.00 N ATOM 554 CA LEU A 38 -17.252 3.953 2.114 1.00 0.00 C ATOM 555 C LEU A 38 -17.272 4.428 0.656 1.00 0.00 C ATOM 556 O LEU A 38 -16.327 4.144 -0.083 1.00 0.00 O ATOM 557 CB LEU A 38 -17.059 5.150 3.052 1.00 0.00 C ATOM 558 CG LEU A 38 -16.928 4.831 4.548 1.00 0.00 C ATOM 559 CD1 LEU A 38 -16.668 6.100 5.336 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.179 4.130 5.070 1.00 0.00 C ATOM 0 H LEU A 38 -15.369 3.379 2.831 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.193 3.466 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.165 5.689 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.903 5.827 2.920 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.082 4.156 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.577 5.859 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.743 6.561 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.496 6.794 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.060 3.916 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.045 4.776 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.327 3.197 4.526 1.00 0.00 H new ATOM 572 N THR A 39 -18.314 5.135 0.213 1.00 0.00 N ATOM 573 CA THR A 39 -18.369 5.456 -1.206 1.00 0.00 C ATOM 574 C THR A 39 -17.297 6.468 -1.561 1.00 0.00 C ATOM 575 O THR A 39 -17.455 7.626 -1.276 1.00 0.00 O ATOM 576 CB THR A 39 -19.708 6.167 -1.507 1.00 0.00 C ATOM 577 OG1 THR A 39 -20.762 5.649 -0.674 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.092 6.014 -2.971 1.00 0.00 C ATOM 0 H THR A 39 -19.088 5.478 0.782 1.00 0.00 H new ATOM 0 HA THR A 39 -18.245 4.528 -1.764 1.00 0.00 H new ATOM 0 HB THR A 39 -19.572 7.226 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.600 6.114 -0.880 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.038 6.524 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.316 6.452 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.198 4.956 -3.211 1.00 0.00 H new ATOM 586 N GLU A 40 -16.254 6.012 -2.169 1.00 0.00 N ATOM 587 CA GLU A 40 -15.233 6.812 -2.760 1.00 0.00 C ATOM 588 C GLU A 40 -14.341 5.794 -3.396 1.00 0.00 C ATOM 589 O GLU A 40 -14.198 4.724 -2.830 1.00 0.00 O ATOM 590 CB GLU A 40 -14.481 7.634 -1.685 1.00 0.00 C ATOM 591 CG GLU A 40 -13.677 8.813 -2.225 1.00 0.00 C ATOM 592 CD GLU A 40 -13.103 9.673 -1.113 1.00 0.00 C ATOM 593 OE1 GLU A 40 -13.837 9.977 -0.134 1.00 0.00 O ATOM 594 OE2 GLU A 40 -11.920 10.067 -1.183 1.00 0.00 O ATOM 0 H GLU A 40 -16.081 5.012 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.612 7.549 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.205 8.008 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.806 6.969 -1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.865 8.441 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.316 9.425 -2.862 1.00 0.00 H new ATOM 601 N GLY A 41 -13.801 6.024 -4.529 1.00 0.00 N ATOM 602 CA GLY A 41 -12.857 5.041 -5.020 1.00 0.00 C ATOM 603 C GLY A 41 -12.188 5.447 -6.270 1.00 0.00 C ATOM 604 O GLY A 41 -12.669 5.134 -7.346 1.00 0.00 O ATOM 0 H GLY A 41 -13.969 6.834 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.102 4.859 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.378 4.098 -5.185 1.00 0.00 H new ATOM 608 N LEU A 42 -11.057 6.103 -6.146 1.00 0.00 N ATOM 609 CA LEU A 42 -10.374 6.613 -7.311 1.00 0.00 C ATOM 610 C LEU A 42 -9.329 5.627 -7.828 1.00 0.00 C ATOM 611 O LEU A 42 -9.637 4.810 -8.700 1.00 0.00 O ATOM 612 CB LEU A 42 -9.730 7.996 -7.055 1.00 0.00 C ATOM 613 CG LEU A 42 -10.665 9.184 -6.751 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.269 9.106 -5.354 1.00 0.00 C ATOM 615 CD2 LEU A 42 -9.930 10.494 -6.946 1.00 0.00 C ATOM 0 H LEU A 42 -10.594 6.295 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.136 6.740 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.038 7.893 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.135 8.255 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.495 9.132 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.919 9.965 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.850 8.188 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.471 9.108 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.602 11.324 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.073 10.534 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.585 10.568 -7.977 1.00 0.00 H new ATOM 627 N HIS A 43 -8.098 5.693 -7.267 1.00 0.00 N ATOM 628 CA HIS A 43 -6.968 4.843 -7.628 1.00 0.00 C ATOM 629 C HIS A 43 -5.740 5.452 -7.033 1.00 0.00 C ATOM 630 O HIS A 43 -5.581 6.672 -7.079 1.00 0.00 O ATOM 631 CB HIS A 43 -6.754 4.686 -9.176 1.00 0.00 C ATOM 632 CG HIS A 43 -6.597 5.974 -9.958 1.00 0.00 C ATOM 633 ND1 HIS A 43 -5.381 6.542 -10.258 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.524 6.795 -10.493 1.00 0.00 C ATOM 635 CE1 HIS A 43 -5.571 7.652 -10.933 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.861 7.826 -11.089 1.00 0.00 N ATOM 0 H HIS A 43 -7.871 6.362 -6.531 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.174 3.843 -7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.867 4.074 -9.340 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.601 4.136 -9.586 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.595 6.660 -10.456 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.796 8.310 -11.298 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.298 8.607 -11.578 1.00 0.00 H new ATOM 645 N GLY A 44 -4.914 4.665 -6.440 1.00 0.00 N ATOM 646 CA GLY A 44 -3.700 5.206 -5.959 1.00 0.00 C ATOM 647 C GLY A 44 -3.139 4.476 -4.795 1.00 0.00 C ATOM 648 O GLY A 44 -3.836 4.197 -3.829 1.00 0.00 O ATOM 0 H GLY A 44 -5.053 3.667 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.967 5.203 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.862 6.247 -5.679 1.00 0.00 H new ATOM 652 N PHE A 45 -1.886 4.179 -4.897 1.00 0.00 N ATOM 653 CA PHE A 45 -1.148 3.519 -3.850 1.00 0.00 C ATOM 654 C PHE A 45 0.197 4.161 -3.576 1.00 0.00 C ATOM 655 O PHE A 45 0.908 4.602 -4.481 1.00 0.00 O ATOM 656 CB PHE A 45 -0.939 2.030 -4.116 1.00 0.00 C ATOM 657 CG PHE A 45 -2.082 1.146 -3.734 1.00 0.00 C ATOM 658 CD1 PHE A 45 -2.498 1.071 -2.417 1.00 0.00 C ATOM 659 CD2 PHE A 45 -2.710 0.365 -4.671 1.00 0.00 C ATOM 660 CE1 PHE A 45 -3.524 0.231 -2.048 1.00 0.00 C ATOM 661 CE2 PHE A 45 -3.736 -0.472 -4.312 1.00 0.00 C ATOM 662 CZ PHE A 45 -4.146 -0.541 -2.996 1.00 0.00 C ATOM 0 H PHE A 45 -1.327 4.389 -5.724 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.776 3.634 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.734 1.893 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.051 1.702 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.012 1.679 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.393 0.410 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.838 0.180 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.224 -1.078 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.953 -1.200 -2.714 1.00 0.00 H new ATOM 672 N HIS A 46 0.496 4.231 -2.307 1.00 0.00 N ATOM 673 CA HIS A 46 1.767 4.639 -1.754 1.00 0.00 C ATOM 674 C HIS A 46 1.712 4.241 -0.305 1.00 0.00 C ATOM 675 O HIS A 46 0.994 4.974 0.542 1.00 0.00 O ATOM 676 CB HIS A 46 2.063 6.170 -1.885 1.00 0.00 C ATOM 677 CG HIS A 46 3.445 6.571 -1.375 1.00 0.00 C ATOM 678 ND1 HIS A 46 3.669 7.518 -0.382 1.00 0.00 N ATOM 679 CD2 HIS A 46 4.674 6.119 -1.726 1.00 0.00 C ATOM 680 CE1 HIS A 46 4.971 7.609 -0.151 1.00 0.00 C ATOM 681 NE2 HIS A 46 5.600 6.773 -0.948 1.00 0.00 N ATOM 0 H HIS A 46 -0.181 3.990 -1.583 1.00 0.00 H new ATOM 0 HA HIS A 46 2.575 4.160 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.973 6.461 -2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.306 6.727 -1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.888 5.378 -2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.438 8.262 0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.610 6.633 -0.983 1.00 0.00 H new ATOM 690 N VAL A 47 2.195 3.052 -0.067 1.00 0.00 N ATOM 691 CA VAL A 47 2.354 2.399 1.241 1.00 0.00 C ATOM 692 C VAL A 47 3.463 3.104 2.020 1.00 0.00 C ATOM 693 O VAL A 47 4.222 3.893 1.448 1.00 0.00 O ATOM 694 CB VAL A 47 2.827 0.927 0.985 1.00 0.00 C ATOM 695 CG1 VAL A 47 2.831 0.032 2.227 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.031 0.304 -0.120 1.00 0.00 C ATOM 0 H VAL A 47 2.517 2.454 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 47 1.416 2.433 1.795 1.00 0.00 H new ATOM 0 HB VAL A 47 3.873 1.004 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.172 -0.967 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.502 0.453 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.822 -0.028 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.373 -0.718 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.976 0.294 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.164 0.882 -1.035 1.00 0.00 H new ATOM 706 N HIS A 48 3.572 2.819 3.296 1.00 0.00 N ATOM 707 CA HIS A 48 4.657 3.331 4.081 1.00 0.00 C ATOM 708 C HIS A 48 5.399 2.188 4.741 1.00 0.00 C ATOM 709 O HIS A 48 4.818 1.321 5.391 1.00 0.00 O ATOM 710 CB HIS A 48 4.202 4.339 5.129 1.00 0.00 C ATOM 711 CG HIS A 48 5.334 4.990 5.901 1.00 0.00 C ATOM 712 ND1 HIS A 48 5.752 4.587 7.156 1.00 0.00 N ATOM 713 CD2 HIS A 48 6.107 6.040 5.589 1.00 0.00 C ATOM 714 CE1 HIS A 48 6.722 5.376 7.564 1.00 0.00 C ATOM 715 NE2 HIS A 48 6.952 6.254 6.638 1.00 0.00 N ATOM 0 H HIS A 48 2.916 2.231 3.810 1.00 0.00 H new ATOM 0 HA HIS A 48 5.324 3.862 3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.618 5.117 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.538 3.838 5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.369 3.802 7.682 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.068 6.612 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.239 5.305 8.510 1.00 0.00 H new ATOM 724 N GLU A 49 6.641 2.189 4.508 1.00 0.00 N ATOM 725 CA GLU A 49 7.584 1.287 5.100 1.00 0.00 C ATOM 726 C GLU A 49 7.791 1.695 6.564 1.00 0.00 C ATOM 727 O GLU A 49 8.076 2.840 6.824 1.00 0.00 O ATOM 728 CB GLU A 49 8.938 1.280 4.310 1.00 0.00 C ATOM 729 CG GLU A 49 9.664 2.649 4.132 1.00 0.00 C ATOM 730 CD GLU A 49 9.048 3.619 3.093 1.00 0.00 C ATOM 731 OE1 GLU A 49 7.870 4.026 3.234 1.00 0.00 O ATOM 732 OE2 GLU A 49 9.740 3.995 2.131 1.00 0.00 O ATOM 0 H GLU A 49 7.075 2.850 3.864 1.00 0.00 H new ATOM 0 HA GLU A 49 7.195 0.270 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.621 0.598 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.750 0.866 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.688 3.152 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.698 2.454 3.848 1.00 0.00 H new ATOM 739 N PHE A 50 7.593 0.752 7.470 1.00 0.00 N ATOM 740 CA PHE A 50 7.653 0.949 8.906 1.00 0.00 C ATOM 741 C PHE A 50 6.356 1.553 9.366 1.00 0.00 C ATOM 742 O PHE A 50 6.032 2.725 9.143 1.00 0.00 O ATOM 743 CB PHE A 50 8.906 1.754 9.370 1.00 0.00 C ATOM 744 CG PHE A 50 8.987 2.000 10.850 1.00 0.00 C ATOM 745 CD1 PHE A 50 9.367 0.991 11.713 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.674 3.241 11.376 1.00 0.00 C ATOM 747 CE1 PHE A 50 9.439 1.213 13.073 1.00 0.00 C ATOM 748 CE2 PHE A 50 8.741 3.471 12.734 1.00 0.00 C ATOM 749 CZ PHE A 50 9.123 2.455 13.583 1.00 0.00 C ATOM 0 H PHE A 50 7.377 -0.211 7.213 1.00 0.00 H new ATOM 0 HA PHE A 50 7.779 -0.022 9.386 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.801 1.217 9.056 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.913 2.715 8.856 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.611 0.016 11.318 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.373 4.040 10.714 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.742 0.416 13.736 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.495 4.445 13.131 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.175 2.631 14.647 1.00 0.00 H new ATOM 759 N GLY A 51 5.571 0.673 9.877 1.00 0.00 N ATOM 760 CA GLY A 51 4.276 0.980 10.375 1.00 0.00 C ATOM 761 C GLY A 51 4.176 0.629 11.820 1.00 0.00 C ATOM 762 O GLY A 51 5.190 0.677 12.531 1.00 0.00 O ATOM 0 H GLY A 51 5.819 -0.313 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.069 2.041 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.523 0.432 9.809 1.00 0.00 H new ATOM 766 N ASP A 52 3.000 0.191 12.257 1.00 0.00 N ATOM 767 CA ASP A 52 2.771 -0.005 13.696 1.00 0.00 C ATOM 768 C ASP A 52 1.452 -0.701 14.070 1.00 0.00 C ATOM 769 O ASP A 52 1.416 -1.930 14.197 1.00 0.00 O ATOM 770 CB ASP A 52 2.942 1.324 14.496 1.00 0.00 C ATOM 771 CG ASP A 52 2.175 2.500 13.912 1.00 0.00 C ATOM 772 OD1 ASP A 52 2.713 3.187 13.023 1.00 0.00 O ATOM 773 OD2 ASP A 52 1.040 2.770 14.326 1.00 0.00 O ATOM 0 H ASP A 52 2.205 -0.032 11.658 1.00 0.00 H new ATOM 0 HA ASP A 52 3.552 -0.706 13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.613 1.163 15.523 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.001 1.578 14.536 1.00 0.00 H new ATOM 778 N ASN A 53 0.375 0.049 14.194 1.00 0.00 N ATOM 779 CA ASN A 53 -0.877 -0.480 14.759 1.00 0.00 C ATOM 780 C ASN A 53 -1.933 -0.751 13.699 1.00 0.00 C ATOM 781 O ASN A 53 -2.110 0.036 12.788 1.00 0.00 O ATOM 782 CB ASN A 53 -1.409 0.484 15.841 1.00 0.00 C ATOM 783 CG ASN A 53 -2.696 0.018 16.512 1.00 0.00 C ATOM 784 OD1 ASN A 53 -3.799 0.339 16.067 1.00 0.00 O ATOM 785 ND2 ASN A 53 -2.574 -0.721 17.579 1.00 0.00 N ATOM 0 H ASN A 53 0.329 1.029 13.914 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.651 -1.444 15.214 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.642 0.616 16.604 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.581 1.461 15.389 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.406 -1.050 18.069 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.647 -0.970 17.923 1.00 0.00 H new ATOM 792 N THR A 54 -2.654 -1.862 13.861 1.00 0.00 N ATOM 793 CA THR A 54 -3.660 -2.329 12.899 1.00 0.00 C ATOM 794 C THR A 54 -4.822 -1.338 12.705 1.00 0.00 C ATOM 795 O THR A 54 -5.413 -1.267 11.616 1.00 0.00 O ATOM 796 CB THR A 54 -4.201 -3.760 13.292 1.00 0.00 C ATOM 797 OG1 THR A 54 -5.124 -4.274 12.304 1.00 0.00 O ATOM 798 CG2 THR A 54 -4.889 -3.741 14.655 1.00 0.00 C ATOM 0 H THR A 54 -2.556 -2.472 14.673 1.00 0.00 H new ATOM 0 HA THR A 54 -3.151 -2.398 11.938 1.00 0.00 H new ATOM 0 HB THR A 54 -3.332 -4.416 13.338 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.768 -4.107 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.249 -4.741 14.895 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.179 -3.419 15.417 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.731 -3.049 14.628 1.00 0.00 H new ATOM 806 N ALA A 55 -5.105 -0.551 13.721 1.00 0.00 N ATOM 807 CA ALA A 55 -6.230 0.342 13.690 1.00 0.00 C ATOM 808 C ALA A 55 -5.787 1.794 13.711 1.00 0.00 C ATOM 809 O ALA A 55 -6.586 2.693 14.006 1.00 0.00 O ATOM 810 CB ALA A 55 -7.158 0.046 14.863 1.00 0.00 C ATOM 0 H ALA A 55 -4.562 -0.516 14.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.770 0.179 12.757 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.009 0.726 14.834 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.513 -0.982 14.796 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.616 0.182 15.799 1.00 0.00 H new ATOM 816 N GLY A 56 -4.538 2.050 13.394 1.00 0.00 N ATOM 817 CA GLY A 56 -4.067 3.404 13.439 1.00 0.00 C ATOM 818 C GLY A 56 -2.657 3.501 12.991 1.00 0.00 C ATOM 819 O GLY A 56 -1.771 2.952 13.619 1.00 0.00 O ATOM 0 H GLY A 56 -3.849 1.354 13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.695 4.031 12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.155 3.788 14.455 1.00 0.00 H new ATOM 823 N CYS A 57 -2.452 4.201 11.939 1.00 0.00 N ATOM 824 CA CYS A 57 -1.158 4.337 11.332 1.00 0.00 C ATOM 825 C CYS A 57 -0.400 5.497 11.977 1.00 0.00 C ATOM 826 O CYS A 57 -0.668 6.655 11.679 1.00 0.00 O ATOM 827 CB CYS A 57 -1.390 4.641 9.867 1.00 0.00 C ATOM 828 SG CYS A 57 -3.020 3.977 9.266 1.00 0.00 S ATOM 0 H CYS A 57 -3.190 4.713 11.455 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.571 3.428 11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.358 5.719 9.711 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.583 4.210 9.275 1.00 0.00 H new ATOM 833 N THR A 58 0.477 5.206 12.907 1.00 0.00 N ATOM 834 CA THR A 58 1.263 6.251 13.529 1.00 0.00 C ATOM 835 C THR A 58 2.414 6.646 12.601 1.00 0.00 C ATOM 836 O THR A 58 2.546 7.801 12.185 1.00 0.00 O ATOM 837 CB THR A 58 1.863 5.780 14.866 1.00 0.00 C ATOM 838 OG1 THR A 58 0.882 5.036 15.601 1.00 0.00 O ATOM 839 CG2 THR A 58 2.304 6.973 15.691 1.00 0.00 C ATOM 0 H THR A 58 0.666 4.264 13.250 1.00 0.00 H new ATOM 0 HA THR A 58 0.603 7.099 13.713 1.00 0.00 H new ATOM 0 HB THR A 58 2.726 5.147 14.659 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.040 4.077 15.479 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.727 6.627 16.634 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.057 7.537 15.141 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.446 7.614 15.892 1.00 0.00 H new ATOM 847 N SER A 59 3.197 5.650 12.246 1.00 0.00 N ATOM 848 CA SER A 59 4.401 5.810 11.476 1.00 0.00 C ATOM 849 C SER A 59 4.082 6.072 10.015 1.00 0.00 C ATOM 850 O SER A 59 4.668 6.949 9.373 1.00 0.00 O ATOM 851 CB SER A 59 5.226 4.547 11.624 1.00 0.00 C ATOM 852 OG SER A 59 5.259 4.138 12.989 1.00 0.00 O ATOM 0 H SER A 59 3.003 4.680 12.495 1.00 0.00 H new ATOM 0 HA SER A 59 4.961 6.670 11.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.802 3.753 11.009 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.240 4.722 11.265 1.00 0.00 H new ATOM 0 HG SER A 59 4.432 3.660 13.207 1.00 0.00 H new ATOM 858 N ALA A 60 3.142 5.319 9.491 1.00 0.00 N ATOM 859 CA ALA A 60 2.660 5.537 8.148 1.00 0.00 C ATOM 860 C ALA A 60 1.757 6.765 8.058 1.00 0.00 C ATOM 861 O ALA A 60 1.391 7.164 6.966 1.00 0.00 O ATOM 862 CB ALA A 60 1.941 4.325 7.654 1.00 0.00 C ATOM 0 H ALA A 60 2.693 4.544 9.980 1.00 0.00 H new ATOM 0 HA ALA A 60 3.527 5.723 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.583 4.503 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.621 3.473 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.094 4.113 8.306 1.00 0.00 H new ATOM 868 N GLY A 61 1.405 7.333 9.209 1.00 0.00 N ATOM 869 CA GLY A 61 0.611 8.567 9.287 1.00 0.00 C ATOM 870 C GLY A 61 1.142 9.676 8.363 1.00 0.00 C ATOM 871 O GLY A 61 0.440 10.088 7.436 1.00 0.00 O ATOM 0 H GLY A 61 1.661 6.953 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.423 8.345 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.608 8.928 10.316 1.00 0.00 H new ATOM 875 N PRO A 62 2.394 10.190 8.591 1.00 0.00 N ATOM 876 CA PRO A 62 3.020 11.213 7.715 1.00 0.00 C ATOM 877 C PRO A 62 3.282 10.693 6.279 1.00 0.00 C ATOM 878 O PRO A 62 3.713 11.442 5.395 1.00 0.00 O ATOM 879 CB PRO A 62 4.331 11.564 8.428 1.00 0.00 C ATOM 880 CG PRO A 62 4.161 11.066 9.823 1.00 0.00 C ATOM 881 CD PRO A 62 3.266 9.868 9.732 1.00 0.00 C ATOM 0 HA PRO A 62 2.367 12.075 7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.183 11.090 7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.512 12.639 8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.123 10.801 10.262 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.721 11.834 10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.833 8.953 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.694 9.721 10.648 1.00 0.00 H new ATOM 889 N HIS A 63 3.014 9.405 6.081 1.00 0.00 N ATOM 890 CA HIS A 63 2.985 8.700 4.782 1.00 0.00 C ATOM 891 C HIS A 63 4.239 8.750 3.891 1.00 0.00 C ATOM 892 O HIS A 63 4.157 8.354 2.729 1.00 0.00 O ATOM 893 CB HIS A 63 1.671 8.974 3.969 1.00 0.00 C ATOM 894 CG HIS A 63 1.290 10.416 3.749 1.00 0.00 C ATOM 895 ND1 HIS A 63 1.807 11.195 2.748 1.00 0.00 N ATOM 896 CD2 HIS A 63 0.422 11.211 4.425 1.00 0.00 C ATOM 897 CE1 HIS A 63 1.280 12.402 2.822 1.00 0.00 C ATOM 898 NE2 HIS A 63 0.439 12.431 3.826 1.00 0.00 N ATOM 0 H HIS A 63 2.798 8.782 6.859 1.00 0.00 H new ATOM 0 HA HIS A 63 2.989 7.662 5.113 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.771 8.497 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.846 8.480 4.482 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.491 10.890 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.172 10.927 5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.505 13.229 2.164 1.00 0.00 H new ATOM 907 N PHE A 64 5.388 9.134 4.418 1.00 0.00 N ATOM 908 CA PHE A 64 6.605 9.153 3.599 1.00 0.00 C ATOM 909 C PHE A 64 7.857 8.810 4.396 1.00 0.00 C ATOM 910 O PHE A 64 8.166 9.457 5.385 1.00 0.00 O ATOM 911 CB PHE A 64 6.795 10.503 2.878 1.00 0.00 C ATOM 912 CG PHE A 64 8.089 10.582 2.089 1.00 0.00 C ATOM 913 CD1 PHE A 64 8.220 9.922 0.878 1.00 0.00 C ATOM 914 CD2 PHE A 64 9.181 11.287 2.585 1.00 0.00 C ATOM 915 CE1 PHE A 64 9.410 9.968 0.173 1.00 0.00 C ATOM 916 CE2 PHE A 64 10.372 11.332 1.886 1.00 0.00 C ATOM 917 CZ PHE A 64 10.487 10.671 0.678 1.00 0.00 C ATOM 0 H PHE A 64 5.513 9.432 5.386 1.00 0.00 H new ATOM 0 HA PHE A 64 6.464 8.375 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.955 10.669 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.776 11.307 3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.384 9.366 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.097 11.806 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.497 9.454 -0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.212 11.883 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.417 10.704 0.130 1.00 0.00 H new ATOM 927 N ASN A 65 8.533 7.761 3.989 1.00 0.00 N ATOM 928 CA ASN A 65 9.828 7.404 4.545 1.00 0.00 C ATOM 929 C ASN A 65 10.859 7.498 3.409 1.00 0.00 C ATOM 930 O ASN A 65 10.523 7.208 2.256 1.00 0.00 O ATOM 931 CB ASN A 65 9.775 5.994 5.162 1.00 0.00 C ATOM 932 CG ASN A 65 11.062 5.539 5.837 1.00 0.00 C ATOM 933 OD1 ASN A 65 11.919 4.924 5.221 1.00 0.00 O ATOM 934 ND2 ASN A 65 11.193 5.830 7.105 1.00 0.00 N ATOM 0 H ASN A 65 8.204 7.126 3.261 1.00 0.00 H new ATOM 0 HA ASN A 65 10.112 8.083 5.349 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.968 5.964 5.894 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.521 5.280 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.031 5.542 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.457 6.345 7.589 1.00 0.00 H new ATOM 941 N PRO A 66 12.096 7.935 3.704 1.00 0.00 N ATOM 942 CA PRO A 66 13.174 8.133 2.709 1.00 0.00 C ATOM 943 C PRO A 66 13.516 6.946 1.763 1.00 0.00 C ATOM 944 O PRO A 66 14.204 7.164 0.760 1.00 0.00 O ATOM 945 CB PRO A 66 14.402 8.480 3.569 1.00 0.00 C ATOM 946 CG PRO A 66 14.019 8.117 4.952 1.00 0.00 C ATOM 947 CD PRO A 66 12.553 8.343 5.036 1.00 0.00 C ATOM 0 HA PRO A 66 12.845 8.895 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.281 7.923 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.650 9.539 3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.268 7.078 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.552 8.730 5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.094 7.746 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.314 9.385 5.246 1.00 0.00 H new ATOM 955 N LEU A 67 13.041 5.723 2.029 1.00 0.00 N ATOM 956 CA LEU A 67 13.429 4.602 1.224 1.00 0.00 C ATOM 957 C LEU A 67 12.607 4.538 0.002 1.00 0.00 C ATOM 958 O LEU A 67 12.960 3.908 -0.976 1.00 0.00 O ATOM 959 CB LEU A 67 13.462 3.293 2.020 1.00 0.00 C ATOM 960 CG LEU A 67 14.692 3.090 2.949 1.00 0.00 C ATOM 961 CD1 LEU A 67 15.985 3.137 2.161 1.00 0.00 C ATOM 962 CD2 LEU A 67 14.740 4.099 4.090 1.00 0.00 C ATOM 0 H LEU A 67 12.397 5.505 2.789 1.00 0.00 H new ATOM 0 HA LEU A 67 14.460 4.750 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.559 3.238 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.423 2.462 1.316 1.00 0.00 H new ATOM 0 HG LEU A 67 14.579 2.101 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.828 2.992 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.982 2.347 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.076 4.105 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 67 15.619 3.910 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.794 5.108 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.842 4.002 4.700 1.00 0.00 H new ATOM 974 N SER A 68 11.527 5.322 0.007 1.00 0.00 N ATOM 975 CA SER A 68 10.699 5.588 -1.162 1.00 0.00 C ATOM 976 C SER A 68 11.443 6.523 -2.124 1.00 0.00 C ATOM 977 O SER A 68 10.832 7.211 -2.918 1.00 0.00 O ATOM 978 CB SER A 68 9.369 6.236 -0.731 1.00 0.00 C ATOM 979 OG SER A 68 8.569 5.357 0.058 1.00 0.00 O ATOM 0 H SER A 68 11.199 5.799 0.847 1.00 0.00 H new ATOM 0 HA SER A 68 10.488 4.646 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.577 7.143 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.810 6.536 -1.617 1.00 0.00 H new ATOM 0 HG SER A 68 9.127 4.933 0.743 1.00 0.00 H new ATOM 985 N ARG A 69 12.766 6.319 -2.197 1.00 0.00 N ATOM 986 CA ARG A 69 13.751 7.130 -2.900 1.00 0.00 C ATOM 987 C ARG A 69 13.635 6.823 -4.393 1.00 0.00 C ATOM 988 O ARG A 69 14.465 7.156 -5.211 1.00 0.00 O ATOM 989 CB ARG A 69 15.153 6.763 -2.316 1.00 0.00 C ATOM 990 CG ARG A 69 16.247 7.850 -2.371 1.00 0.00 C ATOM 991 CD ARG A 69 16.828 8.070 -3.752 1.00 0.00 C ATOM 992 NE ARG A 69 17.503 6.872 -4.266 1.00 0.00 N ATOM 993 CZ ARG A 69 17.946 6.722 -5.519 1.00 0.00 C ATOM 994 NH1 ARG A 69 17.761 7.683 -6.409 1.00 0.00 N ATOM 995 NH2 ARG A 69 18.567 5.606 -5.877 1.00 0.00 N ATOM 0 H ARG A 69 13.200 5.523 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 69 13.594 8.201 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.019 6.471 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.521 5.886 -2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.829 8.790 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.052 7.576 -1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.032 8.359 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.536 8.898 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 69 17.645 6.096 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.279 8.541 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.100 7.566 -7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.708 4.860 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.904 5.494 -6.833 1.00 0.00 H new ATOM 1009 N LYS A 70 12.606 6.138 -4.725 1.00 0.00 N ATOM 1010 CA LYS A 70 12.284 5.960 -6.072 1.00 0.00 C ATOM 1011 C LYS A 70 11.635 7.250 -6.575 1.00 0.00 C ATOM 1012 O LYS A 70 11.804 7.632 -7.729 1.00 0.00 O ATOM 1013 CB LYS A 70 11.364 4.756 -6.309 1.00 0.00 C ATOM 1014 CG LYS A 70 11.056 4.513 -7.794 1.00 0.00 C ATOM 1015 CD LYS A 70 12.345 4.528 -8.617 1.00 0.00 C ATOM 1016 CE LYS A 70 12.130 4.180 -10.068 1.00 0.00 C ATOM 1017 NZ LYS A 70 13.418 4.086 -10.784 1.00 0.00 N ATOM 0 H LYS A 70 11.970 5.689 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 70 13.198 5.746 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.829 3.864 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.429 4.910 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.551 3.554 -7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.374 5.281 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.798 5.517 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.054 3.823 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.597 3.232 -10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.502 4.937 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.245 3.829 -11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.905 5.004 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.012 3.359 -10.336 1.00 0.00 H new ATOM 1031 N HIS A 71 10.913 7.921 -5.662 1.00 0.00 N ATOM 1032 CA HIS A 71 10.230 9.196 -5.922 1.00 0.00 C ATOM 1033 C HIS A 71 9.174 9.016 -7.035 1.00 0.00 C ATOM 1034 O HIS A 71 8.762 9.961 -7.687 1.00 0.00 O ATOM 1035 CB HIS A 71 11.284 10.290 -6.271 1.00 0.00 C ATOM 1036 CG HIS A 71 10.793 11.718 -6.238 1.00 0.00 C ATOM 1037 ND1 HIS A 71 10.902 12.520 -5.127 1.00 0.00 N ATOM 1038 CD2 HIS A 71 10.226 12.490 -7.191 1.00 0.00 C ATOM 1039 CE1 HIS A 71 10.423 13.709 -5.398 1.00 0.00 C ATOM 1040 NE2 HIS A 71 10.008 13.719 -6.643 1.00 0.00 N ATOM 0 H HIS A 71 10.786 7.586 -4.707 1.00 0.00 H new ATOM 0 HA HIS A 71 9.698 9.524 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.118 10.198 -5.575 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.675 10.084 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.989 12.189 -8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.377 14.542 -4.712 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.590 14.517 -7.123 1.00 0.00 H new ATOM 1049 N GLY A 72 8.713 7.791 -7.204 1.00 0.00 N ATOM 1050 CA GLY A 72 7.739 7.529 -8.225 1.00 0.00 C ATOM 1051 C GLY A 72 8.205 6.476 -9.202 1.00 0.00 C ATOM 1052 O GLY A 72 9.265 6.606 -9.827 1.00 0.00 O ATOM 0 H GLY A 72 8.996 6.980 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.807 7.205 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.523 8.452 -8.764 1.00 0.00 H new ATOM 1056 N GLY A 73 7.451 5.429 -9.292 1.00 0.00 N ATOM 1057 CA GLY A 73 7.719 4.355 -10.200 1.00 0.00 C ATOM 1058 C GLY A 73 6.506 3.460 -10.276 1.00 0.00 C ATOM 1059 O GLY A 73 6.530 2.369 -9.723 1.00 0.00 O ATOM 0 H GLY A 73 6.614 5.291 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.959 4.748 -11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.586 3.786 -9.864 1.00 0.00 H new ATOM 1063 N PRO A 74 5.437 3.887 -10.990 1.00 0.00 N ATOM 1064 CA PRO A 74 4.125 3.199 -10.999 1.00 0.00 C ATOM 1065 C PRO A 74 4.152 1.773 -11.549 1.00 0.00 C ATOM 1066 O PRO A 74 3.242 1.004 -11.308 1.00 0.00 O ATOM 1067 CB PRO A 74 3.254 4.090 -11.896 1.00 0.00 C ATOM 1068 CG PRO A 74 4.215 4.861 -12.728 1.00 0.00 C ATOM 1069 CD PRO A 74 5.417 5.085 -11.863 1.00 0.00 C ATOM 0 HA PRO A 74 3.760 3.077 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.587 3.492 -12.517 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.626 4.754 -11.302 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.480 4.310 -13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.782 5.809 -13.048 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.329 5.167 -12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.330 6.004 -11.283 1.00 0.00 H new ATOM 1077 N LYS A 75 5.137 1.468 -12.342 1.00 0.00 N ATOM 1078 CA LYS A 75 5.311 0.154 -12.904 1.00 0.00 C ATOM 1079 C LYS A 75 6.676 -0.351 -12.515 1.00 0.00 C ATOM 1080 O LYS A 75 7.171 -1.329 -13.064 1.00 0.00 O ATOM 1081 CB LYS A 75 5.189 0.216 -14.426 1.00 0.00 C ATOM 1082 CG LYS A 75 3.814 0.643 -14.931 1.00 0.00 C ATOM 1083 CD LYS A 75 3.790 0.803 -16.447 1.00 0.00 C ATOM 1084 CE LYS A 75 4.161 -0.483 -17.165 1.00 0.00 C ATOM 1085 NZ LYS A 75 4.190 -0.311 -18.626 1.00 0.00 N ATOM 0 H LYS A 75 5.856 2.134 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 75 4.542 -0.520 -12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.936 0.911 -14.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.425 -0.765 -14.838 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.072 -0.097 -14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.531 1.585 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.795 1.119 -16.762 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.482 1.593 -16.738 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.138 -0.821 -16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.444 -1.262 -16.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.447 -1.212 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.251 -0.013 -18.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.892 0.414 -18.876 1.00 0.00 H new ATOM 1099 N ASP A 76 7.294 0.317 -11.577 1.00 0.00 N ATOM 1100 CA ASP A 76 8.676 0.045 -11.306 1.00 0.00 C ATOM 1101 C ASP A 76 8.916 -0.485 -9.919 1.00 0.00 C ATOM 1102 O ASP A 76 9.260 -1.659 -9.784 1.00 0.00 O ATOM 1103 CB ASP A 76 9.536 1.279 -11.567 1.00 0.00 C ATOM 1104 CG ASP A 76 11.007 0.975 -11.467 1.00 0.00 C ATOM 1105 OD1 ASP A 76 11.593 0.513 -12.467 1.00 0.00 O ATOM 1106 OD2 ASP A 76 11.609 1.215 -10.422 1.00 0.00 O ATOM 0 H ASP A 76 6.869 1.041 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 76 8.971 -0.746 -11.995 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.314 1.672 -12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.278 2.059 -10.850 1.00 0.00 H new ATOM 1111 N GLU A 77 8.697 0.365 -8.891 1.00 0.00 N ATOM 1112 CA GLU A 77 9.021 0.021 -7.495 1.00 0.00 C ATOM 1113 C GLU A 77 10.530 -0.261 -7.337 1.00 0.00 C ATOM 1114 O GLU A 77 11.094 -1.240 -7.885 1.00 0.00 O ATOM 1115 CB GLU A 77 8.095 -1.111 -6.969 1.00 0.00 C ATOM 1116 CG GLU A 77 8.544 -1.863 -5.718 1.00 0.00 C ATOM 1117 CD GLU A 77 8.883 -1.021 -4.484 1.00 0.00 C ATOM 1118 OE1 GLU A 77 7.970 -0.593 -3.753 1.00 0.00 O ATOM 1119 OE2 GLU A 77 10.091 -0.841 -4.199 1.00 0.00 O ATOM 0 H GLU A 77 8.296 1.296 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 77 8.816 0.879 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.115 -0.678 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.964 -1.838 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.756 -2.564 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.422 -2.455 -5.976 1.00 0.00 H new ATOM 1126 N GLU A 78 11.199 0.615 -6.636 1.00 0.00 N ATOM 1127 CA GLU A 78 12.607 0.469 -6.499 1.00 0.00 C ATOM 1128 C GLU A 78 12.953 0.190 -5.070 1.00 0.00 C ATOM 1129 O GLU A 78 13.177 -0.973 -4.725 1.00 0.00 O ATOM 1130 CB GLU A 78 13.342 1.668 -7.065 1.00 0.00 C ATOM 1131 CG GLU A 78 14.833 1.486 -7.250 1.00 0.00 C ATOM 1132 CD GLU A 78 15.456 2.666 -7.952 1.00 0.00 C ATOM 1133 OE1 GLU A 78 15.155 2.896 -9.133 1.00 0.00 O ATOM 1134 OE2 GLU A 78 16.275 3.373 -7.346 1.00 0.00 O ATOM 0 H GLU A 78 10.793 1.421 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 78 12.939 -0.387 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.901 1.921 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.176 2.520 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.306 1.350 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.020 0.580 -7.826 1.00 0.00 H new ATOM 1141 N ARG A 79 12.965 1.222 -4.200 1.00 0.00 N ATOM 1142 CA ARG A 79 13.280 0.935 -2.824 1.00 0.00 C ATOM 1143 C ARG A 79 12.071 1.194 -1.926 1.00 0.00 C ATOM 1144 O ARG A 79 12.133 1.054 -0.688 1.00 0.00 O ATOM 1145 CB ARG A 79 14.594 1.636 -2.376 1.00 0.00 C ATOM 1146 CG ARG A 79 15.054 1.293 -0.953 1.00 0.00 C ATOM 1147 CD ARG A 79 15.205 -0.215 -0.737 1.00 0.00 C ATOM 1148 NE ARG A 79 15.449 -0.545 0.679 1.00 0.00 N ATOM 1149 CZ ARG A 79 15.439 -1.777 1.204 1.00 0.00 C ATOM 1150 NH1 ARG A 79 15.297 -2.840 0.414 1.00 0.00 N ATOM 1151 NH2 ARG A 79 15.574 -1.937 2.525 1.00 0.00 N ATOM 0 H ARG A 79 12.770 2.198 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 79 13.494 -0.129 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.388 1.369 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 79 14.456 2.715 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.007 1.783 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.335 1.690 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.303 -0.723 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.030 -0.588 -1.344 1.00 0.00 H new ATOM 0 HE ARG A 79 15.642 0.231 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.196 -2.717 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 79 15.290 -3.777 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.684 -1.122 3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.567 -2.874 2.929 1.00 0.00 H new ATOM 1165 N HIS A 80 10.968 1.512 -2.575 1.00 0.00 N ATOM 1166 CA HIS A 80 9.680 1.658 -1.971 1.00 0.00 C ATOM 1167 C HIS A 80 8.701 2.180 -3.004 1.00 0.00 C ATOM 1168 O HIS A 80 9.012 2.148 -4.192 1.00 0.00 O ATOM 1169 CB HIS A 80 9.614 2.405 -0.617 1.00 0.00 C ATOM 1170 CG HIS A 80 8.409 1.993 0.215 1.00 0.00 C ATOM 1171 ND1 HIS A 80 8.292 0.770 0.797 1.00 0.00 N ATOM 1172 CD2 HIS A 80 7.262 2.645 0.514 1.00 0.00 C ATOM 1173 CE1 HIS A 80 7.143 0.677 1.410 1.00 0.00 C ATOM 1174 NE2 HIS A 80 6.495 1.803 1.256 1.00 0.00 N ATOM 0 H HIS A 80 10.956 1.681 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 80 9.387 0.657 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.526 2.209 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.576 3.479 -0.799 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.997 0.034 0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.003 3.651 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.787 -0.186 1.954 1.00 0.00 H new ATOM 1218 N LEU A 84 1.872 -0.925 -5.488 1.00 0.00 N ATOM 1219 CA LEU A 84 1.382 -0.011 -6.462 1.00 0.00 C ATOM 1220 C LEU A 84 0.233 -0.619 -7.218 1.00 0.00 C ATOM 1221 O LEU A 84 0.247 -1.806 -7.546 1.00 0.00 O ATOM 1222 CB LEU A 84 2.540 0.475 -7.379 1.00 0.00 C ATOM 1223 CG LEU A 84 3.409 -0.602 -8.075 1.00 0.00 C ATOM 1224 CD1 LEU A 84 2.730 -1.200 -9.300 1.00 0.00 C ATOM 1225 CD2 LEU A 84 4.771 -0.051 -8.428 1.00 0.00 C ATOM 0 HA LEU A 84 0.989 0.878 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.110 1.111 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.200 1.103 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 84 3.537 -1.414 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.383 -1.949 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.791 -1.668 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.529 -0.412 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.362 -0.826 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.657 0.797 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.278 0.275 -7.520 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.790 0.151 -7.413 1.00 0.00 N ATOM 1238 CA GLY A 85 -1.907 -0.324 -8.147 1.00 0.00 C ATOM 1239 C GLY A 85 -2.995 0.695 -8.223 1.00 0.00 C ATOM 1240 O GLY A 85 -2.858 1.809 -7.705 1.00 0.00 O ATOM 0 H GLY A 85 -0.870 1.109 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.591 -0.594 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.290 -1.231 -7.679 1.00 0.00 H new ATOM 1244 N ASN A 86 -4.063 0.324 -8.856 1.00 0.00 N ATOM 1245 CA ASN A 86 -5.224 1.163 -8.987 1.00 0.00 C ATOM 1246 C ASN A 86 -6.394 0.464 -8.314 1.00 0.00 C ATOM 1247 O ASN A 86 -6.586 -0.737 -8.496 1.00 0.00 O ATOM 1248 CB ASN A 86 -5.524 1.481 -10.477 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.791 0.252 -11.346 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -6.924 -0.187 -11.484 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -4.755 -0.281 -11.965 1.00 0.00 N ATOM 0 H ASN A 86 -4.160 -0.586 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.046 2.122 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.390 2.141 -10.527 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.680 2.030 -10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.886 -1.084 -12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.823 0.110 -11.828 1.00 0.00 H new ATOM 1258 N VAL A 87 -7.133 1.189 -7.496 1.00 0.00 N ATOM 1259 CA VAL A 87 -8.230 0.621 -6.734 1.00 0.00 C ATOM 1260 C VAL A 87 -9.454 1.511 -6.765 1.00 0.00 C ATOM 1261 O VAL A 87 -9.352 2.717 -6.552 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.829 0.335 -5.255 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -7.033 -0.950 -5.158 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -7.016 1.497 -4.671 1.00 0.00 C ATOM 0 H VAL A 87 -6.991 2.187 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.473 -0.327 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.746 0.228 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.762 -1.133 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.635 -1.780 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.128 -0.863 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.749 1.272 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.108 1.637 -5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.612 2.409 -4.701 1.00 0.00 H new ATOM 1274 N THR A 88 -10.594 0.928 -7.024 1.00 0.00 N ATOM 1275 CA THR A 88 -11.802 1.661 -7.055 1.00 0.00 C ATOM 1276 C THR A 88 -12.899 0.934 -6.251 1.00 0.00 C ATOM 1277 O THR A 88 -13.513 -0.035 -6.693 1.00 0.00 O ATOM 1278 CB THR A 88 -12.237 2.023 -8.523 1.00 0.00 C ATOM 1279 OG1 THR A 88 -13.450 2.793 -8.532 1.00 0.00 O ATOM 1280 CG2 THR A 88 -12.385 0.785 -9.413 1.00 0.00 C ATOM 0 H THR A 88 -10.697 -0.068 -7.217 1.00 0.00 H new ATOM 0 HA THR A 88 -11.634 2.619 -6.563 1.00 0.00 H new ATOM 0 HB THR A 88 -11.434 2.630 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.307 3.635 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 88 -12.687 1.091 -10.415 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.432 0.259 -9.466 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.142 0.123 -8.993 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.026 1.359 -5.030 1.00 0.00 N ATOM 1289 CA ALA A 89 -14.033 0.930 -4.119 1.00 0.00 C ATOM 1290 C ALA A 89 -15.193 1.884 -4.231 1.00 0.00 C ATOM 1291 O ALA A 89 -15.046 2.988 -4.744 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.493 0.912 -2.695 1.00 0.00 C ATOM 0 H ALA A 89 -12.395 2.051 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.353 -0.083 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.276 0.582 -2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.647 0.227 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.168 1.914 -2.416 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.323 1.433 -3.925 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.465 2.290 -3.917 1.00 0.00 C ATOM 1300 C ASP A 90 -18.122 2.192 -2.534 1.00 0.00 C ATOM 1301 O ASP A 90 -17.500 1.685 -1.625 1.00 0.00 O ATOM 1302 CB ASP A 90 -18.410 1.891 -5.042 1.00 0.00 C ATOM 1303 CG ASP A 90 -19.349 3.001 -5.414 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -18.957 3.881 -6.190 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -20.494 3.002 -4.949 1.00 0.00 O ATOM 0 H ASP A 90 -16.510 0.463 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 90 -17.186 3.329 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.828 1.601 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.986 1.017 -4.738 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.379 2.602 -2.427 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.204 2.698 -1.171 1.00 0.00 C ATOM 1312 C LYS A 91 -20.054 1.542 -0.175 1.00 0.00 C ATOM 1313 O LYS A 91 -20.140 1.754 1.043 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.697 2.837 -1.559 1.00 0.00 C ATOM 1315 CG LYS A 91 -22.221 1.713 -2.449 1.00 0.00 C ATOM 1316 CD LYS A 91 -23.684 1.903 -2.811 1.00 0.00 C ATOM 1317 CE LYS A 91 -24.177 0.761 -3.687 1.00 0.00 C ATOM 1318 NZ LYS A 91 -25.612 0.886 -4.013 1.00 0.00 N ATOM 0 H LYS A 91 -19.906 2.900 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.821 3.574 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.295 2.873 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -21.840 3.788 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.626 1.666 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.096 0.759 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.284 1.956 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.814 2.851 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.597 0.737 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.003 -0.187 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.903 0.086 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.169 0.882 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.776 1.777 -4.523 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.866 0.369 -0.674 1.00 0.00 N ATOM 1333 CA ASP A 92 -19.658 -0.828 0.136 1.00 0.00 C ATOM 1334 C ASP A 92 -18.736 -1.731 -0.653 1.00 0.00 C ATOM 1335 O ASP A 92 -18.486 -2.874 -0.296 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.032 -1.508 0.415 1.00 0.00 C ATOM 1337 CG ASP A 92 -20.941 -2.889 1.045 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -20.602 -3.014 2.241 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -21.194 -3.889 0.341 1.00 0.00 O ATOM 0 H ASP A 92 -19.849 0.189 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 92 -19.211 -0.598 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.615 -0.862 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -21.580 -1.587 -0.524 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.106 -1.098 -1.630 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.433 -1.756 -2.728 1.00 0.00 C ATOM 1346 C GLY A 93 -16.309 -2.709 -2.421 1.00 0.00 C ATOM 1347 O GLY A 93 -16.158 -3.204 -1.353 1.00 0.00 O ATOM 0 H GLY A 93 -18.050 -0.081 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -18.185 -2.304 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.039 -0.981 -3.386 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.495 -2.892 -3.385 1.00 0.00 N ATOM 1352 CA VAL A 94 -14.470 -3.880 -3.392 1.00 0.00 C ATOM 1353 C VAL A 94 -13.443 -3.464 -4.379 1.00 0.00 C ATOM 1354 O VAL A 94 -13.658 -3.497 -5.595 1.00 0.00 O ATOM 1355 CB VAL A 94 -14.969 -5.347 -3.730 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -15.626 -6.017 -2.530 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -15.938 -5.356 -4.917 1.00 0.00 C ATOM 0 H VAL A 94 -15.519 -2.333 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.073 -3.937 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 94 -14.079 -5.916 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.953 -7.019 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.909 -6.082 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.487 -5.430 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -16.258 -6.379 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.808 -4.744 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.438 -4.952 -5.798 1.00 0.00 H new ATOM 1367 N ALA A 95 -12.368 -3.009 -3.888 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.325 -2.643 -4.744 1.00 0.00 C ATOM 1369 C ALA A 95 -10.384 -3.783 -4.813 1.00 0.00 C ATOM 1370 O ALA A 95 -9.753 -4.149 -3.816 1.00 0.00 O ATOM 1371 CB ALA A 95 -10.656 -1.382 -4.304 1.00 0.00 C ATOM 0 H ALA A 95 -12.185 -2.880 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.715 -2.426 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.852 -1.135 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.384 -0.571 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.243 -1.519 -3.304 1.00 0.00 H new ATOM 1377 N ASP A 96 -10.366 -4.394 -5.939 1.00 0.00 N ATOM 1378 CA ASP A 96 -9.560 -5.550 -6.156 1.00 0.00 C ATOM 1379 C ASP A 96 -8.170 -5.151 -6.552 1.00 0.00 C ATOM 1380 O ASP A 96 -7.915 -4.695 -7.664 1.00 0.00 O ATOM 1381 CB ASP A 96 -10.203 -6.523 -7.179 1.00 0.00 C ATOM 1382 CG ASP A 96 -10.509 -5.902 -8.533 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.497 -5.124 -8.635 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -9.808 -6.208 -9.530 1.00 0.00 O ATOM 0 H ASP A 96 -10.915 -4.107 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.496 -6.098 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.534 -7.371 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.128 -6.916 -6.756 1.00 0.00 H new ATOM 1389 N VAL A 97 -7.275 -5.250 -5.633 1.00 0.00 N ATOM 1390 CA VAL A 97 -5.932 -4.952 -5.937 1.00 0.00 C ATOM 1391 C VAL A 97 -5.241 -6.199 -6.448 1.00 0.00 C ATOM 1392 O VAL A 97 -4.954 -7.143 -5.709 1.00 0.00 O ATOM 1393 CB VAL A 97 -5.154 -4.252 -4.766 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -5.217 -5.043 -3.472 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -3.704 -3.979 -5.160 1.00 0.00 C ATOM 0 H VAL A 97 -7.453 -5.534 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.930 -4.204 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.652 -3.300 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.663 -4.515 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.257 -5.155 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.776 -6.028 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.187 -3.494 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.208 -4.920 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.681 -3.328 -6.034 1.00 0.00 H new ATOM 1405 N SER A 98 -5.094 -6.221 -7.731 1.00 0.00 N ATOM 1406 CA SER A 98 -4.372 -7.227 -8.422 1.00 0.00 C ATOM 1407 C SER A 98 -3.897 -6.647 -9.734 1.00 0.00 C ATOM 1408 O SER A 98 -4.678 -6.441 -10.665 1.00 0.00 O ATOM 1409 CB SER A 98 -5.232 -8.486 -8.608 1.00 0.00 C ATOM 1410 OG SER A 98 -6.551 -8.158 -9.057 1.00 0.00 O ATOM 0 H SER A 98 -5.490 -5.510 -8.346 1.00 0.00 H new ATOM 0 HA SER A 98 -3.503 -7.542 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.756 -9.150 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.292 -9.030 -7.665 1.00 0.00 H new ATOM 0 HG SER A 98 -7.200 -8.758 -8.633 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.656 -6.275 -9.755 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.025 -5.722 -10.931 1.00 0.00 C ATOM 1418 C ILE A 99 -0.691 -6.410 -11.064 1.00 0.00 C ATOM 1419 O ILE A 99 0.124 -6.324 -10.157 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.773 -4.152 -10.843 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -3.075 -3.315 -10.697 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -0.984 -3.654 -12.051 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -3.715 -3.322 -9.320 1.00 0.00 C ATOM 0 H ILE A 99 -2.036 -6.344 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.686 -5.882 -11.783 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.193 -4.005 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.853 -2.283 -10.968 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.805 -3.684 -11.418 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.826 -2.579 -11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.019 -4.160 -12.089 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.542 -3.867 -12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.615 -2.707 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.978 -4.344 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.012 -2.920 -8.590 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.472 -7.101 -12.150 1.00 0.00 N ATOM 1436 CA GLU A 100 0.770 -7.804 -12.331 1.00 0.00 C ATOM 1437 C GLU A 100 1.773 -6.972 -13.130 1.00 0.00 C ATOM 1438 O GLU A 100 1.686 -6.843 -14.351 1.00 0.00 O ATOM 1439 CB GLU A 100 0.551 -9.227 -12.891 1.00 0.00 C ATOM 1440 CG GLU A 100 -0.249 -9.302 -14.181 1.00 0.00 C ATOM 1441 CD GLU A 100 -0.596 -10.716 -14.558 1.00 0.00 C ATOM 1442 OE1 GLU A 100 0.214 -11.388 -15.216 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -1.706 -11.179 -14.219 1.00 0.00 O ATOM 0 H GLU A 100 -1.134 -7.192 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 100 1.221 -7.949 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.525 -9.687 -13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.044 -9.824 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.166 -8.723 -14.071 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.323 -8.844 -14.988 1.00 0.00 H new ATOM 1450 N ASP A 101 2.693 -6.379 -12.408 1.00 0.00 N ATOM 1451 CA ASP A 101 3.730 -5.511 -12.948 1.00 0.00 C ATOM 1452 C ASP A 101 4.788 -5.408 -11.859 1.00 0.00 C ATOM 1453 O ASP A 101 4.562 -5.947 -10.777 1.00 0.00 O ATOM 1454 CB ASP A 101 3.189 -4.118 -13.291 1.00 0.00 C ATOM 1455 CG ASP A 101 3.948 -3.483 -14.439 1.00 0.00 C ATOM 1456 OD1 ASP A 101 5.182 -3.673 -14.550 1.00 0.00 O ATOM 1457 OD2 ASP A 101 3.299 -2.870 -15.313 1.00 0.00 O ATOM 0 H ASP A 101 2.749 -6.486 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 101 4.128 -5.920 -13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.133 -4.193 -13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.256 -3.476 -12.413 1.00 0.00 H new ATOM 1462 N SER A 102 5.949 -4.845 -12.144 1.00 0.00 N ATOM 1463 CA SER A 102 7.007 -4.719 -11.144 1.00 0.00 C ATOM 1464 C SER A 102 6.584 -3.903 -9.903 1.00 0.00 C ATOM 1465 O SER A 102 6.521 -2.661 -9.909 1.00 0.00 O ATOM 1466 CB SER A 102 8.311 -4.194 -11.739 1.00 0.00 C ATOM 1467 OG SER A 102 9.327 -4.096 -10.763 1.00 0.00 O ATOM 0 H SER A 102 6.188 -4.466 -13.060 1.00 0.00 H new ATOM 0 HA SER A 102 7.193 -5.735 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.638 -4.857 -12.540 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.139 -3.215 -12.185 1.00 0.00 H new ATOM 0 HG SER A 102 9.171 -3.304 -10.207 1.00 0.00 H new ATOM 1473 N VAL A 103 6.149 -4.678 -8.937 1.00 0.00 N ATOM 1474 CA VAL A 103 5.871 -4.329 -7.555 1.00 0.00 C ATOM 1475 C VAL A 103 6.843 -5.198 -6.778 1.00 0.00 C ATOM 1476 O VAL A 103 7.020 -5.083 -5.584 1.00 0.00 O ATOM 1477 CB VAL A 103 4.427 -4.746 -7.129 1.00 0.00 C ATOM 1478 CG1 VAL A 103 4.046 -4.161 -5.776 1.00 0.00 C ATOM 1479 CG2 VAL A 103 3.404 -4.379 -8.174 1.00 0.00 C ATOM 0 H VAL A 103 5.961 -5.665 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 103 5.963 -3.256 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 103 4.432 -5.832 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.035 -4.474 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.743 -4.516 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.087 -3.073 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.414 -4.687 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.415 -3.300 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.643 -4.884 -9.110 1.00 0.00 H new ATOM 1489 N ILE A 104 7.449 -6.106 -7.571 1.00 0.00 N ATOM 1490 CA ILE A 104 8.214 -7.264 -7.168 1.00 0.00 C ATOM 1491 C ILE A 104 9.133 -7.035 -6.030 1.00 0.00 C ATOM 1492 O ILE A 104 9.232 -7.892 -5.156 1.00 0.00 O ATOM 1493 CB ILE A 104 8.967 -7.889 -8.382 1.00 0.00 C ATOM 1494 CG1 ILE A 104 10.013 -6.947 -9.043 1.00 0.00 C ATOM 1495 CG2 ILE A 104 7.977 -8.323 -9.413 1.00 0.00 C ATOM 1496 CD1 ILE A 104 11.403 -6.977 -8.422 1.00 0.00 C ATOM 0 H ILE A 104 7.401 -6.026 -8.587 1.00 0.00 H new ATOM 0 HA ILE A 104 7.477 -7.976 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 104 9.526 -8.736 -7.984 1.00 0.00 H new ATOM 0 HG12 ILE A 104 10.099 -7.210 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.636 -5.925 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 104 8.503 -8.760 -10.262 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.304 -9.065 -8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.400 -7.461 -9.749 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.055 -6.286 -8.956 1.00 0.00 H new ATOM 0 HD12 ILE A 104 11.340 -6.681 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 104 11.810 -7.986 -8.490 1.00 0.00 H new ATOM 1508 N SER A 105 9.794 -5.922 -5.997 1.00 0.00 N ATOM 1509 CA SER A 105 10.580 -5.673 -4.926 1.00 0.00 C ATOM 1510 C SER A 105 9.759 -5.057 -3.865 1.00 0.00 C ATOM 1511 O SER A 105 9.555 -3.879 -3.873 1.00 0.00 O ATOM 1512 CB SER A 105 11.797 -4.833 -5.302 1.00 0.00 C ATOM 1513 OG SER A 105 11.432 -3.732 -6.123 1.00 0.00 O ATOM 0 H SER A 105 9.778 -5.200 -6.717 1.00 0.00 H new ATOM 0 HA SER A 105 10.986 -6.609 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.284 -4.469 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.523 -5.455 -5.826 1.00 0.00 H new ATOM 0 HG SER A 105 12.228 -3.198 -6.327 1.00 0.00 H new ATOM 1519 N LEU A 106 9.187 -5.876 -2.990 1.00 0.00 N ATOM 1520 CA LEU A 106 8.449 -5.344 -1.935 1.00 0.00 C ATOM 1521 C LEU A 106 9.448 -4.837 -0.998 1.00 0.00 C ATOM 1522 O LEU A 106 9.917 -5.539 -0.085 1.00 0.00 O ATOM 1523 CB LEU A 106 7.496 -6.371 -1.276 1.00 0.00 C ATOM 1524 CG LEU A 106 6.237 -6.799 -2.072 1.00 0.00 C ATOM 1525 CD1 LEU A 106 5.377 -5.619 -2.441 1.00 0.00 C ATOM 1526 CD2 LEU A 106 6.568 -7.604 -3.295 1.00 0.00 C ATOM 0 H LEU A 106 9.239 -6.894 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 106 7.777 -4.560 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.073 -7.269 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.166 -5.959 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 106 5.669 -7.443 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.506 -5.964 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.050 -5.109 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.952 -4.929 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.648 -7.875 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.197 -7.013 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.100 -8.509 -3.002 1.00 0.00 H new ATOM 1538 N SER A 107 9.817 -3.641 -1.254 1.00 0.00 N ATOM 1539 CA SER A 107 10.822 -3.038 -0.571 1.00 0.00 C ATOM 1540 C SER A 107 10.287 -2.496 0.659 1.00 0.00 C ATOM 1541 O SER A 107 9.759 -1.389 0.713 1.00 0.00 O ATOM 1542 CB SER A 107 11.432 -1.958 -1.418 1.00 0.00 C ATOM 1543 OG SER A 107 11.784 -2.453 -2.694 1.00 0.00 O ATOM 0 H SER A 107 9.393 -3.059 -1.977 1.00 0.00 H new ATOM 0 HA SER A 107 11.604 -3.758 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.727 -1.134 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.317 -1.558 -0.922 1.00 0.00 H new ATOM 0 HG SER A 107 11.265 -1.985 -3.381 1.00 0.00 H new ATOM 1549 N GLY A 108 10.294 -3.300 1.627 1.00 0.00 N ATOM 1550 CA GLY A 108 10.011 -2.815 2.866 1.00 0.00 C ATOM 1551 C GLY A 108 11.331 -2.548 3.468 1.00 0.00 C ATOM 1552 O GLY A 108 12.219 -3.380 3.329 1.00 0.00 O ATOM 0 H GLY A 108 10.495 -4.298 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.410 -1.908 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.445 -3.536 3.455 1.00 0.00 H new ATOM 1556 N ASP A 109 11.522 -1.426 4.089 1.00 0.00 N ATOM 1557 CA ASP A 109 12.833 -1.169 4.607 1.00 0.00 C ATOM 1558 C ASP A 109 13.023 -1.797 5.957 1.00 0.00 C ATOM 1559 O ASP A 109 13.779 -2.763 6.103 1.00 0.00 O ATOM 1560 CB ASP A 109 13.154 0.302 4.630 1.00 0.00 C ATOM 1561 CG ASP A 109 14.571 0.535 5.074 1.00 0.00 C ATOM 1562 OD1 ASP A 109 15.499 0.033 4.406 1.00 0.00 O ATOM 1563 OD2 ASP A 109 14.777 1.187 6.107 1.00 0.00 O ATOM 0 H ASP A 109 10.823 -0.700 4.247 1.00 0.00 H new ATOM 0 HA ASP A 109 13.543 -1.637 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.005 0.726 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.468 0.817 5.303 1.00 0.00 H new ATOM 1568 N HIS A 110 12.306 -1.306 6.939 1.00 0.00 N ATOM 1569 CA HIS A 110 12.427 -1.864 8.263 1.00 0.00 C ATOM 1570 C HIS A 110 11.269 -2.800 8.486 1.00 0.00 C ATOM 1571 O HIS A 110 11.287 -3.654 9.369 1.00 0.00 O ATOM 1572 CB HIS A 110 12.418 -0.757 9.325 1.00 0.00 C ATOM 1573 CG HIS A 110 12.826 -1.230 10.693 1.00 0.00 C ATOM 1574 ND1 HIS A 110 11.938 -1.498 11.714 1.00 0.00 N ATOM 1575 CD2 HIS A 110 14.051 -1.462 11.205 1.00 0.00 C ATOM 1576 CE1 HIS A 110 12.609 -1.865 12.781 1.00 0.00 C ATOM 1577 NE2 HIS A 110 13.886 -1.851 12.502 1.00 0.00 N ATOM 0 H HIS A 110 11.644 -0.535 6.850 1.00 0.00 H new ATOM 0 HA HIS A 110 13.372 -2.400 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 110 13.090 0.042 9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.418 -0.328 9.382 1.00 0.00 H new ATOM 0 HD2 HIS A 110 14.991 -1.359 10.684 1.00 0.00 H new ATOM 0 HE1 HIS A 110 12.177 -2.134 13.733 1.00 0.00 H new ATOM 0 HE2 HIS A 110 14.637 -2.092 13.149 1.00 0.00 H new ATOM 1586 N SER A 111 10.271 -2.651 7.666 1.00 0.00 N ATOM 1587 CA SER A 111 9.106 -3.403 7.815 1.00 0.00 C ATOM 1588 C SER A 111 8.659 -3.999 6.499 1.00 0.00 C ATOM 1589 O SER A 111 8.421 -3.278 5.520 1.00 0.00 O ATOM 1590 CB SER A 111 8.009 -2.524 8.398 1.00 0.00 C ATOM 1591 OG SER A 111 8.446 -1.910 9.602 1.00 0.00 O ATOM 0 H SER A 111 10.262 -1.999 6.882 1.00 0.00 H new ATOM 0 HA SER A 111 9.313 -4.230 8.494 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.726 -1.759 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.120 -3.124 8.591 1.00 0.00 H new ATOM 0 HG SER A 111 7.689 -1.822 10.218 1.00 0.00 H new ATOM 1597 N ILE A 112 8.631 -5.298 6.476 1.00 0.00 N ATOM 1598 CA ILE A 112 7.986 -6.069 5.461 1.00 0.00 C ATOM 1599 C ILE A 112 6.835 -6.733 6.159 1.00 0.00 C ATOM 1600 O ILE A 112 5.853 -7.110 5.553 1.00 0.00 O ATOM 1601 CB ILE A 112 8.890 -7.097 4.712 1.00 0.00 C ATOM 1602 CG1 ILE A 112 9.738 -7.935 5.672 1.00 0.00 C ATOM 1603 CG2 ILE A 112 9.760 -6.396 3.674 1.00 0.00 C ATOM 1604 CD1 ILE A 112 10.481 -9.071 4.999 1.00 0.00 C ATOM 0 H ILE A 112 9.075 -5.870 7.194 1.00 0.00 H new ATOM 0 HA ILE A 112 7.677 -5.412 4.648 1.00 0.00 H new ATOM 0 HB ILE A 112 8.228 -7.791 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.459 -7.285 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.093 -8.345 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.382 -7.132 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.124 -5.892 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.397 -5.663 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.059 -9.619 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.766 -9.745 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.153 -8.668 4.242 1.00 0.00 H new ATOM 1616 N ILE A 113 7.027 -6.888 7.473 1.00 0.00 N ATOM 1617 CA ILE A 113 5.989 -7.160 8.432 1.00 0.00 C ATOM 1618 C ILE A 113 5.759 -5.810 9.103 1.00 0.00 C ATOM 1619 O ILE A 113 6.730 -5.162 9.473 1.00 0.00 O ATOM 1620 CB ILE A 113 6.421 -8.190 9.555 1.00 0.00 C ATOM 1621 CG1 ILE A 113 6.641 -9.629 9.035 1.00 0.00 C ATOM 1622 CG2 ILE A 113 5.426 -8.206 10.711 1.00 0.00 C ATOM 1623 CD1 ILE A 113 7.853 -9.823 8.165 1.00 0.00 C ATOM 0 H ILE A 113 7.951 -6.822 7.899 1.00 0.00 H new ATOM 0 HA ILE A 113 5.122 -7.596 7.936 1.00 0.00 H new ATOM 0 HB ILE A 113 7.387 -7.831 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.719 -10.299 9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.758 -9.933 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.754 -8.924 11.463 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.370 -7.213 11.157 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.442 -8.493 10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.915 -10.866 7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.774 -9.186 7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.749 -9.558 8.726 1.00 0.00 H new ATOM 1635 N GLY A 114 4.542 -5.358 9.215 1.00 0.00 N ATOM 1636 CA GLY A 114 4.312 -4.090 9.856 1.00 0.00 C ATOM 1637 C GLY A 114 4.230 -2.963 8.857 1.00 0.00 C ATOM 1638 O GLY A 114 4.331 -1.812 9.213 1.00 0.00 O ATOM 0 H GLY A 114 3.706 -5.836 8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.386 -4.135 10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.116 -3.890 10.564 1.00 0.00 H new ATOM 1642 N ARG A 115 4.111 -3.309 7.592 1.00 0.00 N ATOM 1643 CA ARG A 115 3.897 -2.331 6.543 1.00 0.00 C ATOM 1644 C ARG A 115 2.497 -1.759 6.641 1.00 0.00 C ATOM 1645 O ARG A 115 1.559 -2.328 6.138 1.00 0.00 O ATOM 1646 CB ARG A 115 4.092 -2.952 5.142 1.00 0.00 C ATOM 1647 CG ARG A 115 5.520 -3.189 4.733 1.00 0.00 C ATOM 1648 CD ARG A 115 5.647 -4.112 3.508 1.00 0.00 C ATOM 1649 NE ARG A 115 4.891 -3.669 2.313 1.00 0.00 N ATOM 1650 CZ ARG A 115 5.369 -3.667 1.046 1.00 0.00 C ATOM 1651 NH1 ARG A 115 6.666 -3.866 0.805 1.00 0.00 N ATOM 1652 NH2 ARG A 115 4.565 -3.463 0.042 1.00 0.00 N ATOM 0 H ARG A 115 4.160 -4.273 7.262 1.00 0.00 H new ATOM 0 HA ARG A 115 4.634 -1.539 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 115 3.560 -3.903 5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.625 -2.298 4.405 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.993 -2.232 4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 115 6.064 -3.627 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.701 -4.197 3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 115 5.307 -5.110 3.786 1.00 0.00 H new ATOM 0 HE ARG A 115 3.936 -3.340 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 115 7.311 -4.022 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 115 7.013 -3.862 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 115 3.571 -3.304 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 115 4.929 -3.462 -0.911 1.00 0.00 H new ATOM 1666 N THR A 116 2.341 -0.718 7.364 1.00 0.00 N ATOM 1667 CA THR A 116 1.134 -0.042 7.379 1.00 0.00 C ATOM 1668 C THR A 116 0.890 0.635 5.993 1.00 0.00 C ATOM 1669 O THR A 116 1.573 1.602 5.587 1.00 0.00 O ATOM 1670 CB THR A 116 1.168 0.963 8.528 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.347 0.269 9.777 1.00 0.00 O ATOM 1672 CG2 THR A 116 -0.073 1.750 8.591 1.00 0.00 C ATOM 0 H THR A 116 3.063 -0.318 7.963 1.00 0.00 H new ATOM 0 HA THR A 116 0.299 -0.724 7.544 1.00 0.00 H new ATOM 0 HB THR A 116 2.001 1.643 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.785 0.683 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.015 2.455 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.205 2.297 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.921 1.081 8.742 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.017 0.016 5.254 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.469 0.466 3.956 1.00 0.00 C ATOM 1682 C LEU A 117 -1.272 1.692 4.140 1.00 0.00 C ATOM 1683 O LEU A 117 -2.438 1.612 4.455 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.353 -0.630 3.326 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.137 -0.282 2.046 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -1.220 0.039 0.903 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -3.101 -1.400 1.671 1.00 0.00 C ATOM 0 H LEU A 117 -0.473 -0.845 5.557 1.00 0.00 H new ATOM 0 HA LEU A 117 0.382 0.669 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.716 -1.486 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.071 -0.954 4.080 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.722 0.613 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.811 0.279 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.596 0.894 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.586 -0.822 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.640 -1.126 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.542 -2.319 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.812 -1.555 2.483 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.678 2.838 3.949 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.462 4.005 4.232 1.00 0.00 C ATOM 1701 C VAL A 118 -2.176 4.453 2.991 1.00 0.00 C ATOM 1702 O VAL A 118 -1.534 5.049 2.013 1.00 0.00 O ATOM 1703 CB VAL A 118 -0.652 5.117 4.916 1.00 0.00 C ATOM 1704 CG1 VAL A 118 0.545 5.583 4.092 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -1.528 6.269 5.361 1.00 0.00 C ATOM 0 H VAL A 118 0.277 2.986 3.622 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.221 3.740 4.968 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.233 4.670 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 118 1.074 6.369 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 118 1.218 4.743 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.198 5.971 3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.912 7.031 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.031 6.700 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.273 5.907 6.070 1.00 0.00 H new ATOM 1715 N VAL A 119 -3.442 4.066 2.969 1.00 0.00 N ATOM 1716 CA VAL A 119 -4.366 4.246 1.901 1.00 0.00 C ATOM 1717 C VAL A 119 -5.772 4.386 2.532 1.00 0.00 C ATOM 1718 O VAL A 119 -5.932 4.210 3.730 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.330 3.008 0.929 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -4.991 1.778 1.547 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -4.922 3.327 -0.442 1.00 0.00 C ATOM 0 H VAL A 119 -3.864 3.585 3.763 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.111 5.132 1.319 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.277 2.771 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.944 0.947 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.468 1.506 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.033 2.001 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.873 2.441 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.961 3.634 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.354 4.134 -0.905 1.00 0.00 H new ATOM 1731 N HIS A 120 -6.712 4.750 1.735 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.124 4.833 2.054 1.00 0.00 C ATOM 1733 C HIS A 120 -8.818 4.755 0.673 1.00 0.00 C ATOM 1734 O HIS A 120 -8.075 4.741 -0.323 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.485 6.177 2.784 1.00 0.00 C ATOM 1736 CG HIS A 120 -9.963 6.314 3.090 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -10.799 7.196 2.433 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -10.761 5.594 3.905 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -12.038 6.994 2.825 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.051 6.024 3.714 1.00 0.00 N ATOM 0 H HIS A 120 -6.519 5.020 0.771 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.436 4.044 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.921 6.240 3.715 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.170 7.016 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.442 4.818 4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.904 7.536 2.474 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.879 5.654 4.182 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.096 4.652 0.586 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.766 4.773 -0.694 1.00 0.00 C ATOM 1751 C GLU A 121 -10.557 6.231 -1.119 1.00 0.00 C ATOM 1752 O GLU A 121 -11.281 7.113 -0.689 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.290 4.542 -0.547 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.742 3.340 0.278 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.569 3.555 1.770 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -11.491 3.244 2.290 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -13.483 4.114 2.437 1.00 0.00 O ATOM 0 H GLU A 121 -10.715 4.484 1.379 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.375 4.045 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.725 5.438 -0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.714 4.443 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.790 3.131 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.174 2.461 -0.027 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.465 6.472 -1.834 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.010 7.801 -2.153 1.00 0.00 C ATOM 1766 C LYS A 122 -7.861 7.648 -3.152 1.00 0.00 C ATOM 1767 O LYS A 122 -7.440 6.521 -3.433 1.00 0.00 O ATOM 1768 CB LYS A 122 -8.475 8.427 -0.836 1.00 0.00 C ATOM 1769 CG LYS A 122 -8.191 9.915 -0.854 1.00 0.00 C ATOM 1770 CD LYS A 122 -7.657 10.374 0.497 1.00 0.00 C ATOM 1771 CE LYS A 122 -7.531 11.885 0.573 1.00 0.00 C ATOM 1772 NZ LYS A 122 -8.839 12.556 0.414 1.00 0.00 N ATOM 0 H LYS A 122 -8.869 5.734 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 122 -9.797 8.427 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -9.200 8.229 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -7.556 7.909 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.465 10.143 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.102 10.462 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.321 10.025 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.683 9.919 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.093 12.165 1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.848 12.232 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.774 13.532 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.103 12.569 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -9.562 12.040 0.955 1.00 0.00 H new ATOM 1786 N ALA A 123 -7.407 8.729 -3.725 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.194 8.696 -4.516 1.00 0.00 C ATOM 1788 C ALA A 123 -4.997 8.874 -3.570 1.00 0.00 C ATOM 1789 O ALA A 123 -4.777 9.958 -3.040 1.00 0.00 O ATOM 1790 CB ALA A 123 -6.211 9.783 -5.587 1.00 0.00 C ATOM 0 H ALA A 123 -7.853 9.644 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.116 7.740 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.289 9.737 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.064 9.629 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.292 10.761 -5.112 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.293 7.787 -3.312 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.131 7.764 -2.381 1.00 0.00 C ATOM 1798 C ASP A 124 -1.810 7.646 -3.144 1.00 0.00 C ATOM 1799 O ASP A 124 -0.711 7.504 -2.571 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.293 6.563 -1.414 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.064 6.262 -0.580 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.580 7.014 0.218 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -1.445 5.205 -0.603 1.00 0.00 O ATOM 0 H ASP A 124 -4.495 6.881 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.107 8.699 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.131 6.760 -0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.550 5.677 -1.994 1.00 0.00 H new ATOM 1808 N ASP A 125 -1.906 7.750 -4.417 1.00 0.00 N ATOM 1809 CA ASP A 125 -0.777 7.480 -5.273 1.00 0.00 C ATOM 1810 C ASP A 125 0.316 8.517 -5.082 1.00 0.00 C ATOM 1811 O ASP A 125 0.028 9.712 -4.951 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.209 7.467 -6.706 1.00 0.00 C ATOM 1813 CG ASP A 125 -0.279 6.673 -7.556 1.00 0.00 C ATOM 1814 OD1 ASP A 125 0.836 7.134 -7.841 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -0.653 5.563 -7.956 1.00 0.00 O ATOM 0 H ASP A 125 -2.758 8.022 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.378 6.502 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.214 7.051 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -1.260 8.490 -7.080 1.00 0.00 H new ATOM 1820 N LEU A 126 1.556 8.061 -5.073 1.00 0.00 N ATOM 1821 CA LEU A 126 2.700 8.931 -4.876 1.00 0.00 C ATOM 1822 C LEU A 126 2.787 9.932 -6.007 1.00 0.00 C ATOM 1823 O LEU A 126 2.845 11.135 -5.775 1.00 0.00 O ATOM 1824 CB LEU A 126 3.998 8.108 -4.789 1.00 0.00 C ATOM 1825 CG LEU A 126 5.294 8.899 -4.549 1.00 0.00 C ATOM 1826 CD1 LEU A 126 5.231 9.662 -3.246 1.00 0.00 C ATOM 1827 CD2 LEU A 126 6.491 7.972 -4.548 1.00 0.00 C ATOM 0 H LEU A 126 1.797 7.078 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 126 2.573 9.468 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.888 7.380 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.108 7.545 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 126 5.402 9.616 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.161 10.213 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.396 10.362 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.091 8.963 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.399 8.550 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.377 7.232 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.560 7.465 -5.511 1.00 0.00 H new ATOM 1839 N GLY A 127 2.735 9.423 -7.221 1.00 0.00 N ATOM 1840 CA GLY A 127 2.818 10.250 -8.399 1.00 0.00 C ATOM 1841 C GLY A 127 1.663 11.208 -8.534 1.00 0.00 C ATOM 1842 O GLY A 127 1.789 12.241 -9.178 1.00 0.00 O ATOM 0 H GLY A 127 2.634 8.427 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 127 3.750 10.815 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.857 9.611 -9.281 1.00 0.00 H new ATOM 1846 N LYS A 128 0.542 10.882 -7.928 1.00 0.00 N ATOM 1847 CA LYS A 128 -0.597 11.760 -8.003 1.00 0.00 C ATOM 1848 C LYS A 128 -0.591 12.790 -6.876 1.00 0.00 C ATOM 1849 O LYS A 128 -0.740 13.984 -7.158 1.00 0.00 O ATOM 1850 CB LYS A 128 -1.949 11.013 -8.097 1.00 0.00 C ATOM 1851 CG LYS A 128 -2.237 10.318 -9.457 1.00 0.00 C ATOM 1852 CD LYS A 128 -1.259 9.189 -9.775 1.00 0.00 C ATOM 1853 CE LYS A 128 -1.548 8.521 -11.111 1.00 0.00 C ATOM 1854 NZ LYS A 128 -1.324 9.415 -12.256 1.00 0.00 N ATOM 0 H LYS A 128 0.399 10.029 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.495 12.299 -8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.984 10.260 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.751 11.723 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.251 9.919 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -2.195 11.061 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -0.244 9.585 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.303 8.442 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.916 7.639 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -2.582 8.175 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.437 8.881 -13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.015 10.192 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.361 9.806 -12.208 1.00 0.00 H new ATOM 1868 N GLY A 129 -0.356 12.360 -5.647 1.00 0.00 N ATOM 1869 CA GLY A 129 -0.320 13.254 -4.500 1.00 0.00 C ATOM 1870 C GLY A 129 -1.486 14.229 -4.412 1.00 0.00 C ATOM 1871 O GLY A 129 -2.589 13.860 -4.036 1.00 0.00 O ATOM 0 H GLY A 129 -0.185 11.381 -5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.297 12.654 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.609 13.823 -4.530 1.00 0.00 H new ATOM 1875 N GLY A 130 -1.219 15.479 -4.774 1.00 0.00 N ATOM 1876 CA GLY A 130 -2.207 16.533 -4.718 1.00 0.00 C ATOM 1877 C GLY A 130 -1.636 17.814 -5.296 1.00 0.00 C ATOM 1878 O GLY A 130 -1.913 18.169 -6.439 1.00 0.00 O ATOM 0 H GLY A 130 -0.307 15.784 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.096 16.238 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.517 16.697 -3.686 1.00 0.00 H new ATOM 1882 N ASN A 131 -0.843 18.497 -4.506 1.00 0.00 N ATOM 1883 CA ASN A 131 -0.119 19.689 -4.953 1.00 0.00 C ATOM 1884 C ASN A 131 1.362 19.268 -5.064 1.00 0.00 C ATOM 1885 O ASN A 131 1.646 18.048 -4.944 1.00 0.00 O ATOM 1886 CB ASN A 131 -0.328 20.845 -3.924 1.00 0.00 C ATOM 1887 CG ASN A 131 0.209 22.212 -4.366 1.00 0.00 C ATOM 1888 OD1 ASN A 131 1.371 22.551 -4.134 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -0.627 23.005 -4.973 1.00 0.00 N ATOM 0 H ASN A 131 -0.673 18.251 -3.531 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.475 20.062 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.394 20.940 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 131 0.154 20.568 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -0.326 23.933 -5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -1.583 22.698 -5.152 1.00 0.00 H new ATOM 1896 N GLU A 132 2.294 20.217 -5.265 1.00 0.00 N ATOM 1897 CA GLU A 132 3.716 19.904 -5.419 1.00 0.00 C ATOM 1898 C GLU A 132 4.246 19.060 -4.242 1.00 0.00 C ATOM 1899 O GLU A 132 4.964 18.090 -4.432 1.00 0.00 O ATOM 1900 CB GLU A 132 4.535 21.196 -5.505 1.00 0.00 C ATOM 1901 CG GLU A 132 6.009 20.952 -5.768 1.00 0.00 C ATOM 1902 CD GLU A 132 6.857 22.176 -5.620 1.00 0.00 C ATOM 1903 OE1 GLU A 132 6.875 23.025 -6.537 1.00 0.00 O ATOM 1904 OE2 GLU A 132 7.551 22.293 -4.591 1.00 0.00 O ATOM 0 H GLU A 132 2.080 21.213 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 132 3.821 19.327 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 132 4.130 21.823 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 132 4.426 21.751 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 132 6.370 20.186 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.129 20.558 -6.777 1.00 0.00 H new ATOM 1911 N GLU A 133 3.855 19.419 -3.050 1.00 0.00 N ATOM 1912 CA GLU A 133 4.338 18.769 -1.848 1.00 0.00 C ATOM 1913 C GLU A 133 3.715 17.385 -1.611 1.00 0.00 C ATOM 1914 O GLU A 133 4.402 16.429 -1.242 1.00 0.00 O ATOM 1915 CB GLU A 133 4.207 19.717 -0.623 1.00 0.00 C ATOM 1916 CG GLU A 133 3.015 20.709 -0.652 1.00 0.00 C ATOM 1917 CD GLU A 133 1.648 20.066 -0.659 1.00 0.00 C ATOM 1918 OE1 GLU A 133 1.220 19.563 -1.708 1.00 0.00 O ATOM 1919 OE2 GLU A 133 0.980 20.042 0.387 1.00 0.00 O ATOM 0 H GLU A 133 3.190 20.173 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 133 5.399 18.566 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 133 4.123 19.106 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 133 5.129 20.291 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 133 3.087 21.365 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 133 3.108 21.339 -1.537 1.00 0.00 H new ATOM 1926 N SER A 134 2.448 17.278 -1.891 1.00 0.00 N ATOM 1927 CA SER A 134 1.685 16.078 -1.664 1.00 0.00 C ATOM 1928 C SER A 134 2.098 14.925 -2.577 1.00 0.00 C ATOM 1929 O SER A 134 1.839 13.775 -2.266 1.00 0.00 O ATOM 1930 CB SER A 134 0.203 16.375 -1.831 1.00 0.00 C ATOM 1931 OG SER A 134 -0.210 17.427 -0.972 1.00 0.00 O ATOM 0 H SER A 134 1.901 18.039 -2.293 1.00 0.00 H new ATOM 0 HA SER A 134 1.891 15.755 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.002 16.646 -2.867 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.377 15.477 -1.616 1.00 0.00 H new ATOM 0 HG SER A 134 0.052 18.288 -1.360 1.00 0.00 H new ATOM 1937 N THR A 135 2.724 15.215 -3.698 1.00 0.00 N ATOM 1938 CA THR A 135 3.147 14.151 -4.597 1.00 0.00 C ATOM 1939 C THR A 135 4.526 13.623 -4.200 1.00 0.00 C ATOM 1940 O THR A 135 5.030 12.650 -4.746 1.00 0.00 O ATOM 1941 CB THR A 135 3.112 14.603 -6.083 1.00 0.00 C ATOM 1942 OG1 THR A 135 3.408 13.511 -6.961 1.00 0.00 O ATOM 1943 CG2 THR A 135 4.086 15.739 -6.357 1.00 0.00 C ATOM 0 H THR A 135 2.950 16.160 -4.009 1.00 0.00 H new ATOM 0 HA THR A 135 2.434 13.332 -4.501 1.00 0.00 H new ATOM 0 HB THR A 135 2.100 14.960 -6.273 1.00 0.00 H new ATOM 0 HG1 THR A 135 3.154 12.668 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 135 4.028 16.023 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 135 3.829 16.596 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 135 5.100 15.413 -6.125 1.00 0.00 H new ATOM 1951 N LYS A 136 5.120 14.261 -3.261 1.00 0.00 N ATOM 1952 CA LYS A 136 6.408 13.834 -2.795 1.00 0.00 C ATOM 1953 C LYS A 136 6.180 12.913 -1.634 1.00 0.00 C ATOM 1954 O LYS A 136 6.850 11.897 -1.471 1.00 0.00 O ATOM 1955 CB LYS A 136 7.247 15.038 -2.377 1.00 0.00 C ATOM 1956 CG LYS A 136 7.372 16.086 -3.460 1.00 0.00 C ATOM 1957 CD LYS A 136 8.152 17.291 -2.989 1.00 0.00 C ATOM 1958 CE LYS A 136 8.086 18.398 -4.022 1.00 0.00 C ATOM 1959 NZ LYS A 136 8.826 19.598 -3.608 1.00 0.00 N ATOM 0 H LYS A 136 4.743 15.084 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 136 6.954 13.318 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.802 15.492 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.243 14.697 -2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.864 15.652 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.378 16.399 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.749 17.645 -2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.191 17.013 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.490 18.034 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.044 18.662 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.331 20.446 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.886 19.628 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.785 19.570 -4.010 1.00 0.00 H new ATOM 1973 N THR A 137 5.230 13.276 -0.836 1.00 0.00 N ATOM 1974 CA THR A 137 4.869 12.511 0.290 1.00 0.00 C ATOM 1975 C THR A 137 3.850 11.423 -0.050 1.00 0.00 C ATOM 1976 O THR A 137 3.700 10.448 0.699 1.00 0.00 O ATOM 1977 CB THR A 137 4.336 13.429 1.376 1.00 0.00 C ATOM 1978 OG1 THR A 137 3.402 14.360 0.804 1.00 0.00 O ATOM 1979 CG2 THR A 137 5.476 14.177 2.054 1.00 0.00 C ATOM 0 H THR A 137 4.681 14.127 -0.958 1.00 0.00 H new ATOM 0 HA THR A 137 5.762 11.999 0.650 1.00 0.00 H new ATOM 0 HB THR A 137 3.829 12.826 2.129 1.00 0.00 H new ATOM 0 HG1 THR A 137 3.058 14.951 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.073 14.829 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.164 13.461 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.008 14.777 1.315 1.00 0.00 H new ATOM 1987 N GLY A 138 3.138 11.593 -1.148 1.00 0.00 N ATOM 1988 CA GLY A 138 2.114 10.650 -1.545 1.00 0.00 C ATOM 1989 C GLY A 138 0.976 10.667 -0.560 1.00 0.00 C ATOM 1990 O GLY A 138 0.908 9.780 0.324 1.00 0.00 O ATOM 0 H GLY A 138 3.253 12.382 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.746 10.900 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 138 2.537 9.647 -1.604 1.00 0.00 H new ATOM 1994 N ASN A 139 0.118 11.695 -0.689 1.00 0.00 N ATOM 1995 CA ASN A 139 -1.032 11.962 0.212 1.00 0.00 C ATOM 1996 C ASN A 139 -1.864 10.718 0.468 1.00 0.00 C ATOM 1997 O ASN A 139 -2.059 9.894 -0.418 1.00 0.00 O ATOM 1998 CB ASN A 139 -1.919 13.095 -0.339 1.00 0.00 C ATOM 1999 CG ASN A 139 -3.052 13.479 0.613 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -2.921 13.371 1.833 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -4.152 13.925 0.075 1.00 0.00 N ATOM 0 H ASN A 139 0.202 12.382 -1.438 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.613 12.279 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -1.301 13.972 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -2.343 12.786 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -4.936 14.197 0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -4.229 14.003 -0.939 1.00 0.00 H new ATOM 2008 N ALA A 140 -2.348 10.594 1.681 1.00 0.00 N ATOM 2009 CA ALA A 140 -3.027 9.416 2.104 1.00 0.00 C ATOM 2010 C ALA A 140 -4.057 9.726 3.145 1.00 0.00 C ATOM 2011 O ALA A 140 -4.119 10.847 3.641 1.00 0.00 O ATOM 2012 CB ALA A 140 -2.026 8.468 2.704 1.00 0.00 C ATOM 0 H ALA A 140 -2.276 11.317 2.397 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.521 8.977 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -2.535 7.561 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -1.274 8.212 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.543 8.942 3.558 1.00 0.00 H new ATOM 2018 N GLY A 141 -4.867 8.733 3.454 1.00 0.00 N ATOM 2019 CA GLY A 141 -5.749 8.806 4.592 1.00 0.00 C ATOM 2020 C GLY A 141 -4.979 8.263 5.767 1.00 0.00 C ATOM 2021 O GLY A 141 -5.090 7.086 6.098 1.00 0.00 O ATOM 0 H GLY A 141 -4.929 7.862 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -6.062 9.834 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.654 8.224 4.419 1.00 0.00 H new ATOM 2025 N SER A 142 -4.220 9.142 6.371 1.00 0.00 N ATOM 2026 CA SER A 142 -3.162 8.847 7.322 1.00 0.00 C ATOM 2027 C SER A 142 -3.412 7.788 8.377 1.00 0.00 C ATOM 2028 O SER A 142 -2.640 6.883 8.485 1.00 0.00 O ATOM 2029 CB SER A 142 -2.718 10.149 7.987 1.00 0.00 C ATOM 2030 OG SER A 142 -2.258 11.091 7.015 1.00 0.00 O ATOM 0 H SER A 142 -4.325 10.143 6.207 1.00 0.00 H new ATOM 0 HA SER A 142 -2.387 8.388 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.549 10.577 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.923 9.943 8.703 1.00 0.00 H new ATOM 0 HG SER A 142 -1.285 11.016 6.922 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.402 7.924 9.134 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.600 7.012 10.200 1.00 0.00 C ATOM 2038 C ARG A 143 -5.978 6.550 10.103 1.00 0.00 C ATOM 2039 O ARG A 143 -6.503 5.931 11.049 1.00 0.00 O ATOM 2040 CB ARG A 143 -4.391 7.695 11.563 1.00 0.00 C ATOM 2041 CG ARG A 143 -5.424 8.775 11.854 1.00 0.00 C ATOM 2042 CD ARG A 143 -5.374 9.251 13.281 1.00 0.00 C ATOM 2043 NE ARG A 143 -6.493 10.153 13.556 1.00 0.00 N ATOM 2044 CZ ARG A 143 -7.048 10.362 14.752 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -6.543 9.785 15.834 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -8.102 11.167 14.862 1.00 0.00 N ATOM 0 H ARG A 143 -5.105 8.658 9.051 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.886 6.192 10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -4.430 6.942 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -3.395 8.136 11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.259 9.621 11.186 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.420 8.388 11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.412 8.397 13.958 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.430 9.764 13.467 1.00 0.00 H new ATOM 0 HE ARG A 143 -6.883 10.666 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -5.727 9.178 15.755 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -6.971 9.948 16.746 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -8.484 11.623 14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.528 11.328 15.775 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.589 6.860 8.968 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.970 6.604 8.756 1.00 0.00 C ATOM 2062 C LEU A 144 -8.171 5.138 8.938 1.00 0.00 C ATOM 2063 O LEU A 144 -9.083 4.725 9.678 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.412 7.070 7.344 1.00 0.00 C ATOM 2065 CG LEU A 144 -9.924 7.395 7.126 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.839 6.202 7.377 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -10.349 8.580 7.984 1.00 0.00 C ATOM 0 H LEU A 144 -6.120 7.298 8.175 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.583 7.161 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.838 7.961 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.130 6.295 6.632 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.032 7.654 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.875 6.496 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.576 5.392 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.721 5.863 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -11.406 8.790 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -10.188 8.344 9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -9.758 9.455 7.714 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.265 4.342 8.344 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.383 2.920 8.487 1.00 0.00 C ATOM 2081 C ALA A 145 -6.203 2.148 7.982 1.00 0.00 C ATOM 2082 O ALA A 145 -6.173 1.823 6.796 1.00 0.00 O ATOM 2083 CB ALA A 145 -8.574 2.484 7.727 1.00 0.00 C ATOM 0 H ALA A 145 -6.476 4.664 7.783 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.456 2.716 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -8.689 1.404 7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -9.460 2.978 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -8.452 2.748 6.677 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.223 1.845 8.838 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.144 0.973 8.397 1.00 0.00 C ATOM 2091 C CYS A 146 -3.135 0.539 9.461 1.00 0.00 C ATOM 2092 O CYS A 146 -2.670 1.337 10.244 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.373 1.605 7.205 1.00 0.00 C ATOM 2094 SG CYS A 146 -2.693 3.339 7.358 1.00 0.00 S ATOM 0 H CYS A 146 -5.157 2.177 9.800 1.00 0.00 H new ATOM 0 HA CYS A 146 -4.667 0.062 8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -2.536 0.946 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -4.039 1.591 6.342 1.00 0.00 H new ATOM 2099 N GLY A 147 -2.875 -0.746 9.578 1.00 0.00 N ATOM 2100 CA GLY A 147 -1.604 -1.157 10.026 1.00 0.00 C ATOM 2101 C GLY A 147 -1.459 -2.647 10.119 1.00 0.00 C ATOM 2102 O GLY A 147 -1.387 -3.136 11.208 1.00 0.00 O ATOM 0 H GLY A 147 -3.530 -1.499 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -0.844 -0.767 9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -1.413 -0.719 11.006 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.276 -3.332 9.012 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.861 -4.761 8.944 1.00 0.00 C ATOM 2108 C VAL A 148 -0.565 -5.096 7.503 1.00 0.00 C ATOM 2109 O VAL A 148 -1.501 -5.358 6.762 1.00 0.00 O ATOM 2110 CB VAL A 148 -1.903 -5.883 9.493 1.00 0.00 C ATOM 2111 CG1 VAL A 148 -1.423 -7.296 9.125 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -2.087 -5.873 11.005 1.00 0.00 C ATOM 0 H VAL A 148 -1.410 -2.917 8.090 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.007 -4.817 9.619 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.851 -5.629 9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.134 -8.031 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.349 -7.384 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -0.445 -7.476 9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.796 -6.650 11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.129 -6.061 11.489 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -2.468 -4.901 11.319 1.00 0.00 H new ATOM 2122 N ILE A 149 0.620 -4.939 7.059 1.00 0.00 N ATOM 2123 CA ILE A 149 1.014 -5.578 5.825 1.00 0.00 C ATOM 2124 C ILE A 149 2.223 -6.401 6.046 1.00 0.00 C ATOM 2125 O ILE A 149 3.282 -5.888 6.484 1.00 0.00 O ATOM 2126 CB ILE A 149 1.138 -4.686 4.546 1.00 0.00 C ATOM 2127 CG1 ILE A 149 -0.244 -4.352 3.970 1.00 0.00 C ATOM 2128 CG2 ILE A 149 2.012 -5.339 3.491 1.00 0.00 C ATOM 2129 CD1 ILE A 149 -0.204 -3.770 2.569 1.00 0.00 C ATOM 0 H ILE A 149 1.344 -4.382 7.512 1.00 0.00 H new ATOM 0 HA ILE A 149 0.159 -6.204 5.570 1.00 0.00 H new ATOM 0 HB ILE A 149 1.619 -3.755 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -0.850 -5.258 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -0.741 -3.644 4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 149 2.074 -4.690 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 149 3.011 -5.500 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.579 -6.296 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -1.220 -3.561 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.374 -2.846 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 149 0.263 -4.485 1.891 1.00 0.00 H new ATOM 2141 N GLY A 150 2.100 -7.643 5.834 1.00 0.00 N ATOM 2142 CA GLY A 150 3.225 -8.431 5.957 1.00 0.00 C ATOM 2143 C GLY A 150 2.952 -9.826 5.736 1.00 0.00 C ATOM 2144 O GLY A 150 1.820 -10.272 5.862 1.00 0.00 O ATOM 0 H GLY A 150 1.238 -8.124 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.979 -8.095 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.648 -8.301 6.953 1.00 0.00 H new ATOM 2148 N ILE A 151 3.978 -10.531 5.337 1.00 0.00 N ATOM 2149 CA ILE A 151 3.969 -11.975 5.275 1.00 0.00 C ATOM 2150 C ILE A 151 3.557 -12.570 6.629 1.00 0.00 C ATOM 2151 O ILE A 151 4.296 -12.483 7.606 1.00 0.00 O ATOM 2152 CB ILE A 151 5.385 -12.536 4.850 1.00 0.00 C ATOM 2153 CG1 ILE A 151 5.482 -14.068 5.090 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.533 -11.782 5.524 1.00 0.00 C ATOM 2155 CD1 ILE A 151 6.858 -14.666 4.842 1.00 0.00 C ATOM 0 H ILE A 151 4.860 -10.114 5.040 1.00 0.00 H new ATOM 0 HA ILE A 151 3.240 -12.270 4.520 1.00 0.00 H new ATOM 0 HB ILE A 151 5.488 -12.364 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.189 -14.280 6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.761 -14.569 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.485 -12.204 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.490 -10.729 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.444 -11.875 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.829 -15.738 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 151 7.149 -14.491 3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 151 7.584 -14.197 5.507 1.00 0.00 H new ATOM 2167 N ALA A 152 2.345 -13.059 6.708 1.00 0.00 N ATOM 2168 CA ALA A 152 1.944 -13.802 7.872 1.00 0.00 C ATOM 2169 C ALA A 152 1.310 -15.097 7.448 1.00 0.00 C ATOM 2170 O ALA A 152 0.159 -15.125 7.020 1.00 0.00 O ATOM 2171 CB ALA A 152 1.014 -12.997 8.766 1.00 0.00 C ATOM 0 H ALA A 152 1.628 -12.957 5.989 1.00 0.00 H new ATOM 0 HA ALA A 152 2.832 -14.019 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.735 -13.595 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.522 -12.091 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.117 -12.727 8.208 1.00 0.00 H new ATOM 2177 N GLN A 153 2.075 -16.152 7.498 1.00 0.00 N ATOM 2178 CA GLN A 153 1.577 -17.451 7.145 1.00 0.00 C ATOM 2179 C GLN A 153 1.213 -18.239 8.386 1.00 0.00 C ATOM 2180 O GLN A 153 2.095 -18.830 9.027 1.00 0.00 O ATOM 2181 CB GLN A 153 2.516 -18.218 6.183 1.00 0.00 C ATOM 2182 CG GLN A 153 3.991 -18.264 6.568 1.00 0.00 C ATOM 2183 CD GLN A 153 4.804 -19.092 5.585 1.00 0.00 C ATOM 2184 OE1 GLN A 153 5.310 -18.579 4.577 1.00 0.00 O ATOM 2185 NE2 GLN A 153 4.943 -20.363 5.859 1.00 0.00 N ATOM 2186 OXT GLN A 153 0.024 -18.219 8.772 1.00 0.00 O ATOM 0 H GLN A 153 3.054 -16.136 7.783 1.00 0.00 H new ATOM 0 HA GLN A 153 0.659 -17.308 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 153 2.154 -19.242 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 153 2.435 -17.766 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 153 4.389 -17.250 6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 153 4.093 -18.684 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 153 4.513 -20.754 6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 153 5.481 -20.964 5.234 1.00 0.00 H new