USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HD1:sc= 0.331 K(o=0.66,f=-2.1) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0.328 K(o=0.66,f=-6.3!) USER MOD Set 2.1: A 4 THR OG1 : rot -76:sc= 0.845 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.747 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.526 USER MOD Set 3.2: A 100 THR OG1 : rot -73:sc= 0.578 USER MOD Set 4.1: A 20 TYR OH : rot 30:sc= -0.451 USER MOD Set 4.2: A 81 TYR OH : rot 152:sc= 0.402 USER MOD Set 5.1: A 7 THR OG1 : rot -160:sc= -0.124 USER MOD Set 5.2: A 121 GLN : amide:sc= 0.739 K(o=0.84,f=-1.2) USER MOD Set 5.3: A 125 ASN : amide:sc= 0.226 K(o=0.84,f=-2.4) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0109 (180deg=-0.238) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -74:sc= 0.262 USER MOD Single : A 22 THR OG1 : rot 72:sc= 1.18 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 35:sc= 0.441 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 120:sc= 0 USER MOD Single : A 71 THR OG1 : rot 155:sc= 0.545 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.2) USER MOD Single : A 116 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.68) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 126 ASN : amide:sc= -0.005 X(o=-0.005,f=-0.3) USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 0.817 (180deg=0.803) USER MOD Single : A 133 SER OG : rot -70:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.236 12.789 13.753 1.00 0.00 N ATOM 2 CA MET A 1 -0.566 13.211 12.529 1.00 0.00 C ATOM 3 C MET A 1 -0.963 12.319 11.357 1.00 0.00 C ATOM 4 O MET A 1 -0.744 11.108 11.384 1.00 0.00 O ATOM 5 CB MET A 1 0.949 13.193 12.721 1.00 0.00 C ATOM 6 CG MET A 1 1.746 13.572 11.481 1.00 0.00 C ATOM 7 SD MET A 1 1.435 15.266 10.945 1.00 0.00 S ATOM 8 CE MET A 1 2.250 16.188 12.245 1.00 0.00 C ATOM 0 H1 MET A 1 -0.951 13.410 14.537 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.266 12.847 13.623 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.970 11.808 13.974 1.00 0.00 H new ATOM 0 HA MET A 1 -0.879 14.230 12.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.209 13.878 13.528 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.250 12.195 13.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.810 13.450 11.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.497 12.887 10.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.380 17.223 11.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.642 16.158 13.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.225 15.745 12.449 1.00 0.00 H new ATOM 20 N ASN A 2 -1.549 12.925 10.330 1.00 0.00 N ATOM 21 CA ASN A 2 -1.838 12.217 9.088 1.00 0.00 C ATOM 22 C ASN A 2 -0.738 12.454 8.058 1.00 0.00 C ATOM 23 O ASN A 2 -0.369 13.594 7.781 1.00 0.00 O ATOM 24 CB ASN A 2 -3.187 12.617 8.520 1.00 0.00 C ATOM 25 CG ASN A 2 -4.351 12.226 9.389 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.608 11.038 9.620 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.101 13.213 9.805 1.00 0.00 N ATOM 0 H ASN A 2 -1.833 13.905 10.333 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.874 11.153 9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.203 13.697 8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.308 12.159 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.943 13.020 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.844 14.176 9.587 1.00 0.00 H new ATOM 34 N ILE A 3 -0.219 11.368 7.494 1.00 0.00 N ATOM 35 CA ILE A 3 0.815 11.458 6.470 1.00 0.00 C ATOM 36 C ILE A 3 0.257 11.111 5.094 1.00 0.00 C ATOM 37 O ILE A 3 -0.423 10.097 4.925 1.00 0.00 O ATOM 38 CB ILE A 3 2.002 10.531 6.783 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.633 10.905 8.127 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.036 10.595 5.670 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.637 9.895 8.633 1.00 0.00 C ATOM 0 H ILE A 3 -0.498 10.415 7.729 1.00 0.00 H new ATOM 0 HA ILE A 3 1.166 12.490 6.466 1.00 0.00 H new ATOM 0 HB ILE A 3 1.633 9.508 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.124 11.874 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.843 11.021 8.869 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.869 9.933 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.580 10.281 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.402 11.617 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.040 10.230 9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.148 8.930 8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.448 9.796 7.912 1.00 0.00 H new ATOM 53 N THR A 4 0.552 11.956 4.111 1.00 0.00 N ATOM 54 CA THR A 4 0.118 11.716 2.741 1.00 0.00 C ATOM 55 C THR A 4 1.311 11.546 1.808 1.00 0.00 C ATOM 56 O THR A 4 2.251 12.341 1.834 1.00 0.00 O ATOM 57 CB THR A 4 -0.770 12.862 2.221 1.00 0.00 C ATOM 58 OG1 THR A 4 -1.949 12.963 3.031 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.172 12.612 0.775 1.00 0.00 C ATOM 0 H THR A 4 1.090 12.813 4.239 1.00 0.00 H new ATOM 0 HA THR A 4 -0.465 10.795 2.752 1.00 0.00 H new ATOM 0 HB THR A 4 -0.204 13.792 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.569 12.241 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 4 -1.799 13.432 0.425 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.278 12.548 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.727 11.676 0.708 1.00 0.00 H new ATOM 67 N VAL A 5 1.266 10.506 0.982 1.00 0.00 N ATOM 68 CA VAL A 5 2.306 10.277 -0.015 1.00 0.00 C ATOM 69 C VAL A 5 1.700 9.979 -1.382 1.00 0.00 C ATOM 70 O VAL A 5 0.561 9.523 -1.481 1.00 0.00 O ATOM 71 CB VAL A 5 3.231 9.114 0.391 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.019 9.472 1.642 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.424 7.844 0.617 1.00 0.00 C ATOM 0 H VAL A 5 0.521 9.809 0.983 1.00 0.00 H new ATOM 0 HA VAL A 5 2.894 11.193 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 5 3.935 8.935 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.667 8.639 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.626 10.356 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.329 9.677 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.094 7.033 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.697 8.011 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.902 7.576 -0.302 1.00 0.00 H new ATOM 83 N GLU A 6 2.469 10.241 -2.434 1.00 0.00 N ATOM 84 CA GLU A 6 1.979 10.081 -3.798 1.00 0.00 C ATOM 85 C GLU A 6 3.047 9.457 -4.691 1.00 0.00 C ATOM 86 O GLU A 6 4.237 9.736 -4.545 1.00 0.00 O ATOM 87 CB GLU A 6 1.534 11.430 -4.370 1.00 0.00 C ATOM 88 CG GLU A 6 0.340 12.051 -3.658 1.00 0.00 C ATOM 89 CD GLU A 6 -0.041 13.366 -4.280 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.780 14.251 -4.303 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.114 13.451 -4.830 1.00 0.00 O ATOM 0 H GLU A 6 3.434 10.565 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 6 1.120 9.411 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.372 12.125 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.286 11.300 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.508 11.367 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.578 12.199 -2.605 1.00 0.00 H new ATOM 98 N THR A 7 2.612 8.610 -5.619 1.00 0.00 N ATOM 99 CA THR A 7 3.487 8.120 -6.675 1.00 0.00 C ATOM 100 C THR A 7 2.729 7.963 -7.989 1.00 0.00 C ATOM 101 O THR A 7 1.642 7.384 -8.025 1.00 0.00 O ATOM 102 CB THR A 7 4.127 6.771 -6.300 1.00 0.00 C ATOM 103 OG1 THR A 7 4.932 6.931 -5.125 1.00 0.00 O ATOM 104 CG2 THR A 7 4.996 6.256 -7.438 1.00 0.00 C ATOM 0 H THR A 7 1.659 8.250 -5.660 1.00 0.00 H new ATOM 0 HA THR A 7 4.275 8.863 -6.799 1.00 0.00 H new ATOM 0 HB THR A 7 3.332 6.051 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.575 6.193 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.440 5.302 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.385 6.121 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.787 6.976 -7.646 1.00 0.00 H new ATOM 112 N THR A 8 3.310 8.480 -9.067 1.00 0.00 N ATOM 113 CA THR A 8 2.677 8.419 -10.379 1.00 0.00 C ATOM 114 C THR A 8 3.319 7.344 -11.249 1.00 0.00 C ATOM 115 O THR A 8 4.522 7.378 -11.509 1.00 0.00 O ATOM 116 CB THR A 8 2.757 9.773 -11.108 1.00 0.00 C ATOM 117 OG1 THR A 8 2.039 10.764 -10.363 1.00 0.00 O ATOM 118 CG2 THR A 8 2.161 9.663 -12.504 1.00 0.00 C ATOM 0 H THR A 8 4.218 8.946 -9.058 1.00 0.00 H new ATOM 0 HA THR A 8 1.629 8.169 -10.212 1.00 0.00 H new ATOM 0 HB THR A 8 3.805 10.061 -11.192 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.092 11.625 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.226 10.629 -13.005 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.714 8.919 -13.078 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.116 9.362 -12.431 1.00 0.00 H new ATOM 126 N VAL A 9 2.509 6.390 -11.697 1.00 0.00 N ATOM 127 CA VAL A 9 3.014 5.253 -12.458 1.00 0.00 C ATOM 128 C VAL A 9 2.364 5.179 -13.835 1.00 0.00 C ATOM 129 O VAL A 9 1.204 5.551 -14.004 1.00 0.00 O ATOM 130 CB VAL A 9 2.775 3.925 -11.715 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.450 3.949 -10.351 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.285 3.660 -11.566 1.00 0.00 C ATOM 0 H VAL A 9 1.500 6.382 -11.546 1.00 0.00 H new ATOM 0 HA VAL A 9 4.087 5.405 -12.575 1.00 0.00 H new ATOM 0 HB VAL A 9 3.212 3.118 -12.302 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.271 3.003 -9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.523 4.095 -10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.040 4.766 -9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.134 2.718 -11.039 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.826 4.470 -11.000 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.825 3.602 -12.553 1.00 0.00 H new ATOM 142 N ALA A 10 3.120 4.697 -14.816 1.00 0.00 N ATOM 143 CA ALA A 10 2.601 4.520 -16.165 1.00 0.00 C ATOM 144 C ALA A 10 1.892 3.178 -16.310 1.00 0.00 C ATOM 145 O ALA A 10 2.433 2.239 -16.893 1.00 0.00 O ATOM 146 CB ALA A 10 3.725 4.638 -17.184 1.00 0.00 C ATOM 0 H ALA A 10 4.095 4.422 -14.700 1.00 0.00 H new ATOM 0 HA ALA A 10 1.872 5.308 -16.352 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.322 4.503 -18.188 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.184 5.623 -17.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.475 3.872 -16.989 1.00 0.00 H new ATOM 152 N ALA A 11 0.678 3.096 -15.776 1.00 0.00 N ATOM 153 CA ALA A 11 -0.109 1.870 -15.856 1.00 0.00 C ATOM 154 C ALA A 11 -1.597 2.161 -15.686 1.00 0.00 C ATOM 155 O ALA A 11 -1.994 3.121 -15.025 1.00 0.00 O ATOM 156 CB ALA A 11 0.359 0.873 -14.805 1.00 0.00 C ATOM 0 H ALA A 11 0.218 3.862 -15.284 1.00 0.00 H new ATOM 0 HA ALA A 11 0.039 1.436 -16.845 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.237 -0.037 -14.876 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.409 0.633 -14.973 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.240 1.308 -13.813 1.00 0.00 H new ATOM 162 N PRO A 12 -2.438 1.315 -16.298 1.00 0.00 N ATOM 163 CA PRO A 12 -3.896 1.466 -16.234 1.00 0.00 C ATOM 164 C PRO A 12 -4.437 1.264 -14.823 1.00 0.00 C ATOM 165 O PRO A 12 -3.888 0.490 -14.040 1.00 0.00 O ATOM 166 CB PRO A 12 -4.421 0.400 -17.202 1.00 0.00 C ATOM 167 CG PRO A 12 -3.323 -0.605 -17.277 1.00 0.00 C ATOM 168 CD PRO A 12 -2.047 0.186 -17.168 1.00 0.00 C ATOM 0 HA PRO A 12 -4.216 2.472 -16.505 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.345 -0.048 -16.837 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.638 0.825 -18.182 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.403 -1.335 -16.471 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.362 -1.160 -18.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.242 -0.403 -16.729 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.698 0.528 -18.142 1.00 0.00 H new ATOM 176 N VAL A 13 -5.520 1.967 -14.505 1.00 0.00 N ATOM 177 CA VAL A 13 -6.003 2.048 -13.130 1.00 0.00 C ATOM 178 C VAL A 13 -6.303 0.661 -12.572 1.00 0.00 C ATOM 179 O VAL A 13 -6.018 0.374 -11.411 1.00 0.00 O ATOM 180 CB VAL A 13 -7.268 2.920 -13.025 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.858 2.835 -11.625 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.951 4.365 -13.381 1.00 0.00 C ATOM 0 H VAL A 13 -6.079 2.488 -15.180 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.209 2.509 -12.543 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.005 2.544 -13.734 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.751 3.457 -11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.121 1.801 -11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.125 3.186 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.857 4.966 -13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.197 4.752 -12.695 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.572 4.413 -14.402 1.00 0.00 H new ATOM 192 N GLY A 14 -6.882 -0.195 -13.408 1.00 0.00 N ATOM 193 CA GLY A 14 -7.261 -1.524 -12.965 1.00 0.00 C ATOM 194 C GLY A 14 -6.070 -2.347 -12.515 1.00 0.00 C ATOM 195 O GLY A 14 -6.102 -2.972 -11.455 1.00 0.00 O ATOM 0 H GLY A 14 -7.095 0.008 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.972 -1.441 -12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.771 -2.043 -13.777 1.00 0.00 H new ATOM 199 N LYS A 15 -5.016 -2.350 -13.324 1.00 0.00 N ATOM 200 CA LYS A 15 -3.805 -3.093 -13.000 1.00 0.00 C ATOM 201 C LYS A 15 -3.094 -2.476 -11.800 1.00 0.00 C ATOM 202 O LYS A 15 -2.555 -3.189 -10.952 1.00 0.00 O ATOM 203 CB LYS A 15 -2.864 -3.139 -14.206 1.00 0.00 C ATOM 204 CG LYS A 15 -3.346 -4.025 -15.347 1.00 0.00 C ATOM 205 CD LYS A 15 -2.316 -4.095 -16.464 1.00 0.00 C ATOM 206 CE LYS A 15 -2.815 -4.943 -17.625 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.822 -5.014 -18.730 1.00 0.00 N ATOM 0 H LYS A 15 -4.977 -1.845 -14.210 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.093 -4.112 -12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.726 -2.125 -14.583 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.887 -3.492 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.547 -5.028 -14.971 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.286 -3.637 -15.740 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.090 -3.089 -16.817 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.386 -4.514 -16.078 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.035 -5.950 -17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.749 -4.527 -18.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.201 -5.601 -19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.630 -4.056 -19.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.939 -5.435 -18.377 1.00 0.00 H new ATOM 221 N VAL A 16 -3.098 -1.149 -11.731 1.00 0.00 N ATOM 222 CA VAL A 16 -2.470 -0.437 -10.625 1.00 0.00 C ATOM 223 C VAL A 16 -3.139 -0.782 -9.299 1.00 0.00 C ATOM 224 O VAL A 16 -2.466 -1.065 -8.308 1.00 0.00 O ATOM 225 CB VAL A 16 -2.519 1.088 -10.834 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.090 1.812 -9.566 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.635 1.494 -12.003 1.00 0.00 C ATOM 0 H VAL A 16 -3.530 -0.544 -12.430 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.428 -0.755 -10.596 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.546 1.372 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.130 2.889 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.761 1.544 -8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.071 1.522 -9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.682 2.575 -12.136 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.606 1.197 -11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.983 1.001 -12.911 1.00 0.00 H new ATOM 237 N TRP A 17 -4.467 -0.755 -9.289 1.00 0.00 N ATOM 238 CA TRP A 17 -5.228 -1.087 -8.090 1.00 0.00 C ATOM 239 C TRP A 17 -4.992 -2.534 -7.678 1.00 0.00 C ATOM 240 O TRP A 17 -4.792 -2.830 -6.500 1.00 0.00 O ATOM 241 CB TRP A 17 -6.721 -0.848 -8.327 1.00 0.00 C ATOM 242 CG TRP A 17 -7.566 -1.127 -7.121 1.00 0.00 C ATOM 243 CD1 TRP A 17 -7.908 -0.245 -6.136 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.174 -2.376 -6.772 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.691 -0.869 -5.197 1.00 0.00 N ATOM 246 CE2 TRP A 17 -8.871 -2.176 -5.564 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.201 -3.642 -7.364 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.583 -3.196 -4.938 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.906 -4.653 -6.741 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.590 -4.427 -5.539 1.00 0.00 C ATOM 0 H TRP A 17 -5.038 -0.507 -10.097 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.886 -0.440 -7.282 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.872 0.186 -8.636 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.056 -1.478 -9.150 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.607 0.791 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.077 -0.430 -4.361 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.680 -3.826 -8.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.111 -3.023 -4.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.931 -5.636 -7.188 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.133 -5.239 -5.078 1.00 0.00 H new ATOM 261 N ARG A 18 -5.017 -3.436 -8.655 1.00 0.00 N ATOM 262 CA ARG A 18 -4.842 -4.858 -8.388 1.00 0.00 C ATOM 263 C ARG A 18 -3.438 -5.143 -7.860 1.00 0.00 C ATOM 264 O ARG A 18 -3.258 -5.956 -6.955 1.00 0.00 O ATOM 265 CB ARG A 18 -5.170 -5.715 -9.600 1.00 0.00 C ATOM 266 CG ARG A 18 -6.654 -5.853 -9.903 1.00 0.00 C ATOM 267 CD ARG A 18 -6.960 -6.650 -11.119 1.00 0.00 C ATOM 268 NE ARG A 18 -8.379 -6.795 -11.402 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.882 -7.422 -12.484 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.090 -7.927 -13.404 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.196 -7.493 -12.609 1.00 0.00 N ATOM 0 H ARG A 18 -5.157 -3.206 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.556 -5.134 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.674 -5.290 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.751 -6.710 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.146 -6.315 -9.047 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.083 -4.858 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.477 -6.181 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.521 -7.642 -11.008 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.039 -6.395 -10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.078 -7.848 -13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.488 -8.398 -14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.799 -7.080 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.607 -7.961 -13.417 1.00 0.00 H new ATOM 285 N ALA A 19 -2.447 -4.470 -8.437 1.00 0.00 N ATOM 286 CA ALA A 19 -1.061 -4.650 -8.025 1.00 0.00 C ATOM 287 C ALA A 19 -0.835 -4.115 -6.614 1.00 0.00 C ATOM 288 O ALA A 19 -0.047 -4.671 -5.848 1.00 0.00 O ATOM 289 CB ALA A 19 -0.125 -3.963 -9.007 1.00 0.00 C ATOM 0 H ALA A 19 -2.579 -3.796 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.845 -5.718 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.907 -4.106 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.260 -4.393 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.351 -2.897 -9.040 1.00 0.00 H new ATOM 295 N TYR A 20 -1.530 -3.035 -6.277 1.00 0.00 N ATOM 296 CA TYR A 20 -1.394 -2.416 -4.964 1.00 0.00 C ATOM 297 C TYR A 20 -1.909 -3.345 -3.868 1.00 0.00 C ATOM 298 O TYR A 20 -1.475 -3.270 -2.718 1.00 0.00 O ATOM 299 CB TYR A 20 -2.142 -1.082 -4.919 1.00 0.00 C ATOM 300 CG TYR A 20 -2.055 -0.376 -3.584 1.00 0.00 C ATOM 301 CD1 TYR A 20 -0.905 0.305 -3.210 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.126 -0.389 -2.702 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.821 0.951 -1.992 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.054 0.253 -1.482 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.899 0.923 -1.129 1.00 0.00 C ATOM 306 OH TYR A 20 -1.822 1.566 0.084 1.00 0.00 O ATOM 0 H TYR A 20 -2.194 -2.569 -6.896 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.335 -2.230 -4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.742 -0.426 -5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.191 -1.256 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.061 0.330 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.032 -0.910 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.082 1.475 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.897 0.231 -0.807 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.222 2.337 0.008 1.00 0.00 H new ATOM 316 N THR A 21 -2.838 -4.223 -4.234 1.00 0.00 N ATOM 317 CA THR A 21 -3.497 -5.089 -3.263 1.00 0.00 C ATOM 318 C THR A 21 -3.170 -6.555 -3.524 1.00 0.00 C ATOM 319 O THR A 21 -3.876 -7.451 -3.062 1.00 0.00 O ATOM 320 CB THR A 21 -5.025 -4.902 -3.285 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.523 -5.170 -4.603 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.396 -3.482 -2.886 1.00 0.00 C ATOM 0 H THR A 21 -3.151 -4.353 -5.196 1.00 0.00 H new ATOM 0 HA THR A 21 -3.121 -4.805 -2.280 1.00 0.00 H new ATOM 0 HB THR A 21 -5.470 -5.596 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.290 -4.427 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.480 -3.369 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.030 -3.280 -1.879 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.944 -2.778 -3.585 1.00 0.00 H new ATOM 330 N THR A 22 -2.093 -6.795 -4.266 1.00 0.00 N ATOM 331 CA THR A 22 -1.573 -8.143 -4.446 1.00 0.00 C ATOM 332 C THR A 22 -0.488 -8.456 -3.423 1.00 0.00 C ATOM 333 O THR A 22 0.512 -7.749 -3.304 1.00 0.00 O ATOM 334 CB THR A 22 -1.002 -8.344 -5.862 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.046 -8.172 -6.830 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.408 -9.737 -6.006 1.00 0.00 C ATOM 0 H THR A 22 -1.564 -6.071 -4.752 1.00 0.00 H new ATOM 0 HA THR A 22 -2.411 -8.825 -4.302 1.00 0.00 H new ATOM 0 HB THR A 22 -0.217 -7.606 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.285 -7.223 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.010 -9.860 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.394 -9.867 -5.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.183 -10.483 -5.828 1.00 0.00 H new ATOM 344 N PRO A 23 -0.687 -9.543 -2.661 1.00 0.00 N ATOM 345 CA PRO A 23 0.220 -9.926 -1.575 1.00 0.00 C ATOM 346 C PRO A 23 1.610 -10.289 -2.085 1.00 0.00 C ATOM 347 O PRO A 23 2.617 -9.968 -1.452 1.00 0.00 O ATOM 348 CB PRO A 23 -0.475 -11.123 -0.919 1.00 0.00 C ATOM 349 CG PRO A 23 -1.417 -11.623 -1.961 1.00 0.00 C ATOM 350 CD PRO A 23 -1.872 -10.398 -2.708 1.00 0.00 C ATOM 0 HA PRO A 23 0.393 -9.107 -0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.243 -11.891 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.005 -10.827 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.925 -12.330 -2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.261 -12.145 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.164 -10.632 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.732 -9.927 -2.231 1.00 0.00 H new ATOM 358 N GLU A 24 1.661 -10.959 -3.233 1.00 0.00 N ATOM 359 CA GLU A 24 2.930 -11.304 -3.860 1.00 0.00 C ATOM 360 C GLU A 24 3.723 -10.049 -4.209 1.00 0.00 C ATOM 361 O GLU A 24 4.952 -10.033 -4.123 1.00 0.00 O ATOM 362 CB GLU A 24 2.697 -12.148 -5.115 1.00 0.00 C ATOM 363 CG GLU A 24 2.283 -13.586 -4.838 1.00 0.00 C ATOM 364 CD GLU A 24 3.368 -14.339 -4.119 1.00 0.00 C ATOM 365 OE1 GLU A 24 4.456 -14.413 -4.637 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.143 -14.743 -3.002 1.00 0.00 O ATOM 0 H GLU A 24 0.838 -11.273 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 24 3.510 -11.890 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.926 -11.671 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.611 -12.154 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.373 -13.595 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.051 -14.087 -5.778 1.00 0.00 H new ATOM 373 N ASP A 25 3.014 -8.998 -4.605 1.00 0.00 N ATOM 374 CA ASP A 25 3.647 -7.728 -4.937 1.00 0.00 C ATOM 375 C ASP A 25 4.034 -6.966 -3.674 1.00 0.00 C ATOM 376 O ASP A 25 5.144 -6.441 -3.568 1.00 0.00 O ATOM 377 CB ASP A 25 2.718 -6.875 -5.804 1.00 0.00 C ATOM 378 CG ASP A 25 2.559 -7.375 -7.234 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.315 -8.229 -7.632 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.591 -7.017 -7.862 1.00 0.00 O ATOM 0 H ASP A 25 1.999 -9.001 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 25 4.555 -7.942 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.735 -6.837 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.099 -5.854 -5.829 1.00 0.00 H new ATOM 385 N ILE A 26 3.112 -6.907 -2.718 1.00 0.00 N ATOM 386 CA ILE A 26 3.304 -6.098 -1.522 1.00 0.00 C ATOM 387 C ILE A 26 4.531 -6.554 -0.740 1.00 0.00 C ATOM 388 O ILE A 26 5.336 -5.736 -0.295 1.00 0.00 O ATOM 389 CB ILE A 26 2.071 -6.150 -0.601 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.891 -5.420 -1.248 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.394 -5.546 0.756 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.438 -5.694 -0.581 1.00 0.00 C ATOM 0 H ILE A 26 2.225 -7.410 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 26 3.452 -5.071 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 26 1.792 -7.193 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.083 -4.347 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.827 -5.711 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.511 -5.591 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.206 -6.106 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.697 -4.507 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.224 -5.142 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.655 -6.761 -0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.394 -5.377 0.461 1.00 0.00 H new ATOM 604 N ALA A 40 6.371 -11.723 3.999 1.00 0.00 N ATOM 605 CA ALA A 40 5.317 -12.436 3.288 1.00 0.00 C ATOM 606 C ALA A 40 3.947 -11.847 3.603 1.00 0.00 C ATOM 607 O ALA A 40 3.690 -11.411 4.724 1.00 0.00 O ATOM 608 CB ALA A 40 5.351 -13.916 3.640 1.00 0.00 C ATOM 0 HA ALA A 40 5.494 -12.324 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.559 -14.436 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.317 -14.335 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.202 -14.038 4.713 1.00 0.00 H new ATOM 614 N ALA A 41 3.068 -11.836 2.604 1.00 0.00 N ATOM 615 CA ALA A 41 1.763 -11.204 2.742 1.00 0.00 C ATOM 616 C ALA A 41 0.658 -12.097 2.190 1.00 0.00 C ATOM 617 O ALA A 41 0.877 -12.865 1.252 1.00 0.00 O ATOM 618 CB ALA A 41 1.754 -9.854 2.039 1.00 0.00 C ATOM 0 H ALA A 41 3.238 -12.258 1.691 1.00 0.00 H new ATOM 0 HA ALA A 41 1.572 -11.050 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.773 -9.393 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.511 -9.208 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.972 -9.994 0.980 1.00 0.00 H new ATOM 624 N THR A 42 -0.530 -11.994 2.777 1.00 0.00 N ATOM 625 CA THR A 42 -1.732 -12.554 2.174 1.00 0.00 C ATOM 626 C THR A 42 -2.894 -11.570 2.247 1.00 0.00 C ATOM 627 O THR A 42 -3.175 -11.003 3.303 1.00 0.00 O ATOM 628 CB THR A 42 -2.144 -13.873 2.854 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.073 -14.822 2.750 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.390 -14.446 2.196 1.00 0.00 C ATOM 0 H THR A 42 -0.685 -11.527 3.671 1.00 0.00 H new ATOM 0 HA THR A 42 -1.495 -12.755 1.129 1.00 0.00 H new ATOM 0 HB THR A 42 -2.360 -13.672 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.335 -15.660 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.666 -15.378 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.209 -13.732 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.189 -14.639 1.142 1.00 0.00 H new ATOM 638 N VAL A 43 -3.569 -11.373 1.119 1.00 0.00 N ATOM 639 CA VAL A 43 -4.640 -10.389 1.031 1.00 0.00 C ATOM 640 C VAL A 43 -5.914 -11.011 0.468 1.00 0.00 C ATOM 641 O VAL A 43 -5.889 -11.668 -0.572 1.00 0.00 O ATOM 642 CB VAL A 43 -4.235 -9.188 0.156 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.374 -8.184 0.067 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.984 -8.524 0.709 1.00 0.00 C ATOM 0 H VAL A 43 -3.392 -11.883 0.253 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.828 -10.038 2.046 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.018 -9.552 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.069 -7.342 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.248 -8.663 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.622 -7.826 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.712 -7.678 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.176 -8.174 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.166 -9.244 0.722 1.00 0.00 H new ATOM 654 N ASP A 44 -7.026 -10.798 1.163 1.00 0.00 N ATOM 655 CA ASP A 44 -8.339 -11.132 0.625 1.00 0.00 C ATOM 656 C ASP A 44 -8.937 -9.945 -0.124 1.00 0.00 C ATOM 657 O ASP A 44 -9.220 -8.902 0.469 1.00 0.00 O ATOM 658 CB ASP A 44 -9.283 -11.579 1.744 1.00 0.00 C ATOM 659 CG ASP A 44 -10.651 -12.046 1.265 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.913 -11.946 0.090 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.360 -12.638 2.042 1.00 0.00 O ATOM 0 H ASP A 44 -7.044 -10.396 2.100 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.215 -11.956 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.810 -12.389 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.419 -10.752 2.440 1.00 0.00 H new ATOM 666 N LEU A 45 -9.129 -10.110 -1.427 1.00 0.00 N ATOM 667 CA LEU A 45 -9.561 -9.010 -2.282 1.00 0.00 C ATOM 668 C LEU A 45 -11.079 -8.862 -2.254 1.00 0.00 C ATOM 669 O LEU A 45 -11.782 -9.403 -3.108 1.00 0.00 O ATOM 670 CB LEU A 45 -9.071 -9.229 -3.719 1.00 0.00 C ATOM 671 CG LEU A 45 -7.557 -9.088 -3.922 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.193 -9.385 -5.370 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.120 -7.684 -3.534 1.00 0.00 C ATOM 0 H LEU A 45 -8.992 -10.995 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.124 -8.088 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.373 -10.226 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.577 -8.516 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.038 -9.805 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.116 -9.282 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.494 -10.403 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.708 -8.683 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.044 -7.585 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.639 -6.956 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.364 -7.503 -2.487 1.00 0.00 H new ATOM 685 N ARG A 46 -11.577 -8.125 -1.267 1.00 0.00 N ATOM 686 CA ARG A 46 -12.997 -7.793 -1.203 1.00 0.00 C ATOM 687 C ARG A 46 -13.249 -6.680 -0.192 1.00 0.00 C ATOM 688 O ARG A 46 -12.471 -6.487 0.741 1.00 0.00 O ATOM 689 CB ARG A 46 -13.859 -9.014 -0.918 1.00 0.00 C ATOM 690 CG ARG A 46 -13.624 -9.662 0.437 1.00 0.00 C ATOM 691 CD ARG A 46 -14.392 -10.915 0.658 1.00 0.00 C ATOM 692 NE ARG A 46 -14.011 -11.652 1.852 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.545 -11.457 3.074 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.452 -10.527 3.276 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.114 -12.209 4.071 1.00 0.00 N ATOM 0 H ARG A 46 -11.020 -7.746 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.291 -7.427 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.908 -8.725 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.680 -9.757 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.561 -9.878 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.884 -8.948 1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.452 -10.670 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.265 -11.562 -0.210 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.289 -12.367 1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.762 -9.940 2.502 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.846 -10.393 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.396 -12.914 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.499 -12.085 5.007 1.00 0.00 H new ATOM 709 N GLU A 47 -14.342 -5.948 -0.388 1.00 0.00 N ATOM 710 CA GLU A 47 -14.801 -4.981 0.604 1.00 0.00 C ATOM 711 C GLU A 47 -15.218 -5.682 1.895 1.00 0.00 C ATOM 712 O GLU A 47 -16.094 -6.544 1.889 1.00 0.00 O ATOM 713 CB GLU A 47 -15.964 -4.154 0.051 1.00 0.00 C ATOM 714 CG GLU A 47 -16.383 -2.989 0.935 1.00 0.00 C ATOM 715 CD GLU A 47 -17.303 -2.052 0.204 1.00 0.00 C ATOM 716 OE1 GLU A 47 -16.910 -1.541 -0.818 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.436 -1.931 0.604 1.00 0.00 O ATOM 0 H GLU A 47 -14.925 -6.006 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.972 -4.310 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.686 -3.768 -0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.822 -4.810 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.881 -3.368 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.498 -2.447 1.269 1.00 0.00 H new ATOM 724 N GLY A 48 -14.583 -5.302 3.000 1.00 0.00 N ATOM 725 CA GLY A 48 -14.769 -6.021 4.246 1.00 0.00 C ATOM 726 C GLY A 48 -13.761 -7.138 4.428 1.00 0.00 C ATOM 727 O GLY A 48 -13.673 -7.738 5.498 1.00 0.00 O ATOM 0 H GLY A 48 -13.943 -4.509 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.688 -5.324 5.080 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.776 -6.437 4.275 1.00 0.00 H new ATOM 731 N GLY A 49 -12.998 -7.421 3.375 1.00 0.00 N ATOM 732 CA GLY A 49 -12.038 -8.509 3.427 1.00 0.00 C ATOM 733 C GLY A 49 -10.850 -8.192 4.311 1.00 0.00 C ATOM 734 O GLY A 49 -10.516 -7.027 4.520 1.00 0.00 O ATOM 0 H GLY A 49 -13.028 -6.917 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.532 -9.408 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.688 -8.729 2.418 1.00 0.00 H new ATOM 738 N ALA A 50 -10.209 -9.233 4.835 1.00 0.00 N ATOM 739 CA ALA A 50 -9.062 -9.060 5.716 1.00 0.00 C ATOM 740 C ALA A 50 -7.752 -9.221 4.952 1.00 0.00 C ATOM 741 O ALA A 50 -7.704 -9.886 3.917 1.00 0.00 O ATOM 742 CB ALA A 50 -9.127 -10.051 6.869 1.00 0.00 C ATOM 0 H ALA A 50 -10.466 -10.205 4.664 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.095 -8.048 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.263 -9.910 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.041 -9.886 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.123 -11.068 6.476 1.00 0.00 H new ATOM 748 N PHE A 51 -6.692 -8.606 5.467 1.00 0.00 N ATOM 749 CA PHE A 51 -5.356 -8.799 4.919 1.00 0.00 C ATOM 750 C PHE A 51 -4.310 -8.828 6.030 1.00 0.00 C ATOM 751 O PHE A 51 -4.521 -8.273 7.108 1.00 0.00 O ATOM 752 CB PHE A 51 -5.026 -7.696 3.911 1.00 0.00 C ATOM 753 CG PHE A 51 -5.028 -6.314 4.501 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.873 -5.780 5.053 1.00 0.00 C ATOM 755 CD2 PHE A 51 -6.183 -5.548 4.509 1.00 0.00 C ATOM 756 CE1 PHE A 51 -3.874 -4.509 5.597 1.00 0.00 C ATOM 757 CE2 PHE A 51 -6.187 -4.278 5.051 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.030 -3.758 5.595 1.00 0.00 C ATOM 0 H PHE A 51 -6.733 -7.970 6.263 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.338 -9.760 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.046 -7.894 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.749 -7.734 3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.964 -6.363 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.092 -5.950 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.968 -4.104 6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.094 -3.692 5.049 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.030 -2.764 6.018 1.00 0.00 H new ATOM 768 N SER A 52 -3.183 -9.477 5.758 1.00 0.00 N ATOM 769 CA SER A 52 -2.157 -9.687 6.772 1.00 0.00 C ATOM 770 C SER A 52 -0.773 -9.768 6.137 1.00 0.00 C ATOM 771 O SER A 52 -0.619 -10.261 5.019 1.00 0.00 O ATOM 772 CB SER A 52 -2.451 -10.947 7.563 1.00 0.00 C ATOM 773 OG SER A 52 -1.464 -11.210 8.522 1.00 0.00 O ATOM 0 H SER A 52 -2.957 -9.867 4.843 1.00 0.00 H new ATOM 0 HA SER A 52 -2.168 -8.835 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.418 -10.847 8.056 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.527 -11.793 6.880 1.00 0.00 H new ATOM 0 HG SER A 52 -1.127 -10.364 8.885 1.00 0.00 H new ATOM 779 N SER A 53 0.231 -9.278 6.856 1.00 0.00 N ATOM 780 CA SER A 53 1.616 -9.379 6.405 1.00 0.00 C ATOM 781 C SER A 53 2.536 -9.760 7.561 1.00 0.00 C ATOM 782 O SER A 53 2.524 -9.124 8.615 1.00 0.00 O ATOM 783 CB SER A 53 2.060 -8.072 5.781 1.00 0.00 C ATOM 784 OG SER A 53 3.393 -8.121 5.350 1.00 0.00 O ATOM 0 H SER A 53 0.113 -8.807 7.753 1.00 0.00 H new ATOM 0 HA SER A 53 1.676 -10.164 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.414 -7.836 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.943 -7.266 6.506 1.00 0.00 H new ATOM 0 HG SER A 53 3.640 -7.260 4.952 1.00 0.00 H new ATOM 790 N ARG A 54 3.333 -10.805 7.355 1.00 0.00 N ATOM 791 CA ARG A 54 4.278 -11.255 8.368 1.00 0.00 C ATOM 792 C ARG A 54 5.702 -10.838 8.006 1.00 0.00 C ATOM 793 O ARG A 54 6.193 -11.148 6.920 1.00 0.00 O ATOM 794 CB ARG A 54 4.181 -12.752 8.621 1.00 0.00 C ATOM 795 CG ARG A 54 5.050 -13.266 9.758 1.00 0.00 C ATOM 796 CD ARG A 54 5.018 -14.741 9.934 1.00 0.00 C ATOM 797 NE ARG A 54 5.913 -15.244 10.964 1.00 0.00 N ATOM 798 CZ ARG A 54 5.577 -15.400 12.260 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.384 -15.060 12.696 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.487 -15.883 13.087 1.00 0.00 N ATOM 0 H ARG A 54 3.342 -11.355 6.496 1.00 0.00 H new ATOM 0 HA ARG A 54 4.010 -10.764 9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.142 -13.003 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.455 -13.279 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.080 -12.955 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.729 -12.794 10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.999 -15.044 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.274 -15.213 8.986 1.00 0.00 H new ATOM 0 HE ARG A 54 6.861 -15.496 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.697 -14.672 12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.146 -15.185 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.414 -16.127 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.262 -16.012 14.073 1.00 0.00 H new ATOM 964 N PHE A 66 1.467 -8.205 11.014 1.00 0.00 N ATOM 965 CA PHE A 66 0.673 -7.040 10.641 1.00 0.00 C ATOM 966 C PHE A 66 -0.686 -7.463 10.090 1.00 0.00 C ATOM 967 O PHE A 66 -0.783 -8.401 9.302 1.00 0.00 O ATOM 968 CB PHE A 66 1.420 -6.189 9.613 1.00 0.00 C ATOM 969 CG PHE A 66 2.628 -5.490 10.167 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.794 -5.342 11.537 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.600 -4.978 9.322 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.906 -4.699 12.048 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.713 -4.335 9.830 1.00 0.00 C ATOM 974 CZ PHE A 66 4.864 -4.196 11.194 1.00 0.00 C ATOM 0 HA PHE A 66 0.509 -6.441 11.537 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.729 -6.826 8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.736 -5.444 9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.046 -5.733 12.211 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.486 -5.083 8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.024 -4.591 13.116 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.463 -3.942 9.160 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.733 -3.693 11.593 1.00 0.00 H new ATOM 984 N ALA A 67 -1.733 -6.762 10.513 1.00 0.00 N ATOM 985 CA ALA A 67 -3.096 -7.133 10.155 1.00 0.00 C ATOM 986 C ALA A 67 -3.944 -5.899 9.871 1.00 0.00 C ATOM 987 O ALA A 67 -3.759 -4.850 10.488 1.00 0.00 O ATOM 988 CB ALA A 67 -3.726 -7.965 11.262 1.00 0.00 C ATOM 0 H ALA A 67 -1.663 -5.934 11.104 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.055 -7.731 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.744 -8.235 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.140 -8.871 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.746 -7.386 12.185 1.00 0.00 H new ATOM 994 N GLY A 68 -4.875 -6.028 8.930 1.00 0.00 N ATOM 995 CA GLY A 68 -5.829 -4.964 8.678 1.00 0.00 C ATOM 996 C GLY A 68 -7.081 -5.461 7.983 1.00 0.00 C ATOM 997 O GLY A 68 -7.140 -6.606 7.535 1.00 0.00 O ATOM 0 H GLY A 68 -4.985 -6.851 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.103 -4.495 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.358 -4.195 8.065 1.00 0.00 H new ATOM 1001 N THR A 69 -8.089 -4.598 7.896 1.00 0.00 N ATOM 1002 CA THR A 69 -9.356 -4.963 7.273 1.00 0.00 C ATOM 1003 C THR A 69 -9.832 -3.874 6.319 1.00 0.00 C ATOM 1004 O THR A 69 -9.692 -2.684 6.599 1.00 0.00 O ATOM 1005 CB THR A 69 -10.448 -5.226 8.325 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.015 -6.261 9.219 1.00 0.00 O ATOM 1007 CG2 THR A 69 -11.744 -5.651 7.653 1.00 0.00 C ATOM 0 H THR A 69 -8.053 -3.642 8.249 1.00 0.00 H new ATOM 0 HA THR A 69 -9.179 -5.881 6.712 1.00 0.00 H new ATOM 0 HB THR A 69 -10.624 -4.306 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.711 -6.426 9.889 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.505 -5.833 8.412 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.082 -4.861 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.575 -6.564 7.082 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.400 -4.289 5.192 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.896 -3.348 4.193 1.00 0.00 C ATOM 1017 C TYR A 70 -12.282 -2.833 4.573 1.00 0.00 C ATOM 1018 O TYR A 70 -13.103 -3.568 5.121 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.945 -4.011 2.817 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.580 -4.300 2.235 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.721 -3.268 1.884 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.151 -5.607 2.037 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.472 -3.526 1.350 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -7.904 -5.877 1.506 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.069 -4.834 1.164 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.826 -5.095 0.634 1.00 0.00 O ATOM 0 H TYR A 70 -10.529 -5.271 4.947 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.211 -2.501 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.504 -4.944 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.494 -3.365 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.034 -2.245 2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.803 -6.426 2.303 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.817 -2.711 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.585 -6.898 1.360 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.300 -5.618 1.275 1.00 0.00 H new ATOM 1036 N THR A 71 -12.535 -1.562 4.276 1.00 0.00 N ATOM 1037 CA THR A 71 -13.802 -0.934 4.626 1.00 0.00 C ATOM 1038 C THR A 71 -14.608 -0.589 3.378 1.00 0.00 C ATOM 1039 O THR A 71 -15.835 -0.684 3.374 1.00 0.00 O ATOM 1040 CB THR A 71 -13.587 0.345 5.456 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.907 1.326 4.661 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.761 0.043 6.698 1.00 0.00 C ATOM 0 H THR A 71 -11.879 -0.948 3.794 1.00 0.00 H new ATOM 0 HA THR A 71 -14.357 -1.656 5.225 1.00 0.00 H new ATOM 0 HB THR A 71 -14.560 0.728 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.110 2.222 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.619 0.959 7.272 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.281 -0.693 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.790 -0.353 6.402 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.912 -0.190 2.321 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.559 0.398 1.154 1.00 0.00 C ATOM 1052 C LYS A 72 -13.728 0.165 -0.105 1.00 0.00 C ATOM 1053 O LYS A 72 -12.509 0.341 -0.096 1.00 0.00 O ATOM 1054 CB LYS A 72 -14.792 1.894 1.366 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.632 2.560 0.284 1.00 0.00 C ATOM 1056 CD LYS A 72 -15.955 4.002 0.643 1.00 0.00 C ATOM 1057 CE LYS A 72 -16.864 4.642 -0.396 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.216 6.044 -0.041 1.00 0.00 N ATOM 0 H LYS A 72 -12.897 -0.263 2.247 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.525 -0.090 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.280 2.040 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.826 2.396 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.096 2.531 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.558 2.002 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.436 4.036 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.031 4.575 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.371 4.627 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.776 4.053 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.836 6.443 -0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.710 6.057 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.348 6.613 0.026 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.396 -0.227 -1.185 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.759 -0.293 -2.495 1.00 0.00 C ATOM 1074 C VAL A 73 -14.686 0.237 -3.583 1.00 0.00 C ATOM 1075 O VAL A 73 -15.828 -0.205 -3.711 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.339 -1.732 -2.848 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.686 -1.774 -4.221 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.393 -2.285 -1.793 1.00 0.00 C ATOM 0 H VAL A 73 -15.378 -0.504 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.868 0.332 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.233 -2.356 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.395 -2.798 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.392 -1.417 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.802 -1.137 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.107 -3.303 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.502 -1.659 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.892 -2.290 -0.824 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.186 1.187 -4.367 1.00 0.00 N ATOM 1089 CA VAL A 74 -14.999 1.846 -5.383 1.00 0.00 C ATOM 1090 C VAL A 74 -14.297 1.837 -6.737 1.00 0.00 C ATOM 1091 O VAL A 74 -13.150 2.267 -6.855 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.324 3.300 -4.992 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.130 3.978 -6.089 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.080 3.340 -3.673 1.00 0.00 C ATOM 0 H VAL A 74 -13.222 1.517 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.930 1.285 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.386 3.842 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.351 5.004 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.555 3.980 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.063 3.436 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.302 4.375 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.012 2.783 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.469 2.891 -2.890 1.00 0.00 H new ATOM 1104 N GLU A 75 -14.996 1.346 -7.756 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.503 1.422 -9.126 1.00 0.00 C ATOM 1106 C GLU A 75 -13.049 0.966 -9.208 1.00 0.00 C ATOM 1107 O GLU A 75 -12.278 1.459 -10.029 1.00 0.00 O ATOM 1108 CB GLU A 75 -14.642 2.846 -9.669 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.078 3.328 -9.810 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.133 4.733 -10.343 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.093 5.317 -10.532 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.207 5.182 -10.670 1.00 0.00 O ATOM 0 H GLU A 75 -15.904 0.892 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.107 0.753 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.106 3.528 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.157 2.899 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -16.624 2.662 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.575 3.285 -8.841 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.684 0.020 -8.348 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.291 -0.393 -8.213 1.00 0.00 C ATOM 1121 C ASN A 76 -10.359 0.815 -8.261 1.00 0.00 C ATOM 1122 O ASN A 76 -9.355 0.809 -8.972 1.00 0.00 O ATOM 1123 CB ASN A 76 -10.903 -1.401 -9.278 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.713 -2.667 -9.238 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.704 -3.402 -8.244 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.348 -2.966 -10.343 1.00 0.00 N ATOM 0 H ASN A 76 -13.332 -0.474 -7.735 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.187 -0.875 -7.241 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.015 -0.940 -10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.849 -1.651 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.867 -3.841 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.324 -2.324 -11.135 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.699 1.848 -7.499 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.188 3.189 -7.755 1.00 0.00 C ATOM 1135 C LYS A 77 -10.119 4.001 -6.466 1.00 0.00 C ATOM 1136 O LYS A 77 -9.292 4.904 -6.334 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.058 3.908 -8.787 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.567 5.301 -9.163 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.428 5.914 -10.257 1.00 0.00 C ATOM 1140 CE LYS A 77 -10.918 7.290 -10.657 1.00 0.00 C ATOM 1141 NZ LYS A 77 -11.764 7.913 -11.712 1.00 0.00 N ATOM 0 H LYS A 77 -11.327 1.782 -6.698 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.178 3.094 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.109 3.298 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.073 3.987 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.581 5.944 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.532 5.245 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.434 5.259 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.458 5.992 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.896 7.938 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.893 7.206 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.382 8.849 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.765 7.308 -12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.737 8.017 -11.360 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.991 3.673 -5.519 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.963 4.303 -4.205 1.00 0.00 C ATOM 1157 C ARG A 78 -11.177 3.270 -3.102 1.00 0.00 C ATOM 1158 O ARG A 78 -12.199 2.585 -3.070 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.954 5.453 -4.095 1.00 0.00 C ATOM 1160 CG ARG A 78 -11.786 6.543 -5.141 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.764 7.655 -5.028 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.515 8.567 -3.924 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.381 9.506 -3.495 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.536 9.686 -4.097 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.029 10.259 -2.468 1.00 0.00 N ATOM 0 H ARG A 78 -11.725 2.975 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.971 4.736 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.965 5.051 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.860 5.901 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.778 6.952 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.874 6.096 -6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.760 8.222 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.763 7.233 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.621 8.491 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.787 9.111 -4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.181 10.401 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.122 10.121 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.664 10.978 -2.121 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.206 3.165 -2.201 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.132 2.032 -1.286 1.00 0.00 C ATOM 1181 C ILE A 79 -9.677 2.473 0.100 1.00 0.00 C ATOM 1182 O ILE A 79 -8.641 3.121 0.247 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.176 0.945 -1.811 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.176 -0.264 -0.871 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.769 1.504 -1.964 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.524 -1.495 -1.460 1.00 0.00 C ATOM 0 H ILE A 79 -9.460 3.850 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.137 1.615 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.525 0.619 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.659 0.004 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.205 -0.503 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.106 0.723 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.782 2.335 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.410 1.855 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.562 -2.309 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.054 -1.790 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.485 -1.275 -1.704 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.457 2.116 1.115 1.00 0.00 N ATOM 1199 CA GLU A 80 -10.132 2.473 2.491 1.00 0.00 C ATOM 1200 C GLU A 80 -10.036 1.229 3.369 1.00 0.00 C ATOM 1201 O GLU A 80 -10.818 0.289 3.221 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.177 3.439 3.055 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.877 3.935 4.462 1.00 0.00 C ATOM 1204 CD GLU A 80 -12.040 4.699 5.031 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -13.067 4.103 5.255 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.871 5.854 5.347 1.00 0.00 O ATOM 0 H GLU A 80 -11.318 1.580 1.011 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.161 2.968 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.257 4.298 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.148 2.945 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.645 3.087 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.993 4.573 4.444 1.00 0.00 H new ATOM 1213 N TYR A 81 -9.071 1.230 4.282 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.859 0.094 5.170 1.00 0.00 C ATOM 1215 C TYR A 81 -8.311 0.552 6.519 1.00 0.00 C ATOM 1216 O TYR A 81 -7.801 1.663 6.648 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.906 -0.917 4.530 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.604 -0.314 4.050 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.501 -0.241 4.888 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -6.482 0.179 2.760 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.310 0.310 4.455 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -5.296 0.731 2.315 1.00 0.00 C ATOM 1223 CZ TYR A 81 -4.211 0.795 3.167 1.00 0.00 C ATOM 1224 OH TYR A 81 -3.028 1.342 2.730 1.00 0.00 O ATOM 0 H TYR A 81 -8.424 2.005 4.426 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.822 -0.388 5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.686 -1.703 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.408 -1.391 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.574 -0.621 5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.329 0.131 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.461 0.361 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.218 1.110 1.307 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.955 1.231 1.759 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.423 -0.315 7.520 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.958 0.006 8.865 1.00 0.00 C ATOM 1236 C ALA A 82 -6.835 -0.931 9.295 1.00 0.00 C ATOM 1237 O ALA A 82 -6.929 -2.147 9.126 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.113 -0.061 9.853 1.00 0.00 C ATOM 0 H ALA A 82 -8.831 -1.245 7.426 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.563 1.022 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.751 0.181 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.882 0.655 9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.534 -1.066 9.853 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.774 -0.358 9.854 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.553 -1.111 10.125 1.00 0.00 C ATOM 1246 C PHE A 83 -4.181 -1.024 11.601 1.00 0.00 C ATOM 1247 O PHE A 83 -3.652 -0.014 12.062 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.404 -0.597 9.257 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.125 -1.367 9.428 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.890 -2.520 8.694 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.155 -0.941 10.324 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.714 -3.230 8.851 1.00 0.00 C ATOM 1253 CE2 PHE A 83 0.021 -1.647 10.482 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.242 -2.793 9.744 1.00 0.00 C ATOM 0 H PHE A 83 -5.734 0.624 10.128 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.736 -2.157 9.878 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.705 -0.638 8.210 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.221 0.451 9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.634 -2.867 7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.322 -0.046 10.905 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.544 -4.127 8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.768 -1.303 11.182 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.162 -3.346 9.866 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.460 -2.095 12.339 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.188 -2.105 13.764 1.00 0.00 C ATOM 1266 C GLY A 84 -5.074 -1.144 14.532 1.00 0.00 C ATOM 1267 O GLY A 84 -6.300 -1.242 14.478 1.00 0.00 O ATOM 0 H GLY A 84 -4.869 -2.955 11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.331 -3.114 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.143 -1.844 13.933 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.453 -0.213 15.248 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.189 0.855 15.913 1.00 0.00 C ATOM 1273 C ASP A 85 -5.181 2.127 15.072 1.00 0.00 C ATOM 1274 O ASP A 85 -5.553 3.200 15.546 1.00 0.00 O ATOM 1275 CB ASP A 85 -4.598 1.132 17.298 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.145 1.590 17.281 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.570 1.638 16.220 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -2.672 2.035 18.300 1.00 0.00 O ATOM 0 H ASP A 85 -3.443 -0.177 15.382 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.222 0.529 16.032 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.201 1.894 17.791 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.674 0.227 17.900 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.753 2.000 13.821 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.673 3.143 12.919 1.00 0.00 C ATOM 1285 C ARG A 86 -5.538 2.921 11.681 1.00 0.00 C ATOM 1286 O ARG A 86 -6.041 1.821 11.451 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.237 3.483 12.545 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.419 4.112 13.661 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.054 4.534 13.256 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.112 3.440 13.080 1.00 0.00 N ATOM 1291 CZ ARG A 86 0.328 2.992 11.888 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.112 3.514 10.765 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.197 1.997 11.878 1.00 0.00 N ATOM 0 H ARG A 86 -4.456 1.116 13.408 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.067 4.007 13.455 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.737 2.572 12.216 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.250 4.165 11.694 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.956 4.980 14.044 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.338 3.399 14.482 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.122 5.092 12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.661 5.218 14.008 1.00 0.00 H new ATOM 0 HE ARG A 86 0.241 2.979 13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.797 4.270 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.231 3.163 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.516 1.590 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.549 1.636 10.991 1.00 0.00 H new ATOM 1307 N THR A 87 -5.707 3.973 10.887 1.00 0.00 N ATOM 1308 CA THR A 87 -6.488 3.886 9.659 1.00 0.00 C ATOM 1309 C THR A 87 -5.722 4.465 8.476 1.00 0.00 C ATOM 1310 O THR A 87 -4.819 5.284 8.651 1.00 0.00 O ATOM 1311 CB THR A 87 -7.834 4.621 9.795 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.599 6.014 10.041 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.649 4.039 10.939 1.00 0.00 C ATOM 0 H THR A 87 -5.314 4.896 11.072 1.00 0.00 H new ATOM 0 HA THR A 87 -6.678 2.827 9.481 1.00 0.00 H new ATOM 0 HB THR A 87 -8.392 4.497 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.457 6.481 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.596 4.572 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.841 2.983 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.094 4.144 11.871 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.085 4.035 7.273 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.503 4.585 6.057 1.00 0.00 C ATOM 1323 C ALA A 88 -6.519 4.602 4.920 1.00 0.00 C ATOM 1324 O ALA A 88 -7.392 3.738 4.840 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.271 3.787 5.653 1.00 0.00 C ATOM 0 H ALA A 88 -6.781 3.306 7.115 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.206 5.614 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.846 4.209 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.531 3.830 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.552 2.749 5.475 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.400 5.594 4.042 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.292 5.708 2.894 1.00 0.00 C ATOM 1333 C LYS A 89 -6.501 5.969 1.615 1.00 0.00 C ATOM 1334 O LYS A 89 -5.685 6.888 1.554 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.316 6.821 3.118 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.380 6.926 2.034 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.422 7.978 2.381 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.481 8.090 1.294 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.543 9.070 1.649 1.00 0.00 N ATOM 0 H LYS A 89 -5.696 6.329 4.104 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.822 4.762 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.807 6.658 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.790 7.773 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.910 7.177 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.866 5.959 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.897 7.724 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.935 8.944 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.009 8.390 0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.932 7.112 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.244 9.115 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.011 8.771 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.117 10.009 1.785 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.751 5.155 0.595 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.997 5.238 -0.652 1.00 0.00 C ATOM 1355 C VAL A 90 -6.911 5.573 -1.825 1.00 0.00 C ATOM 1356 O VAL A 90 -7.999 5.011 -1.957 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.254 3.923 -0.951 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.467 4.040 -2.248 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.327 3.560 0.200 1.00 0.00 C ATOM 0 H VAL A 90 -7.469 4.431 0.606 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.265 6.036 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.992 3.129 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.948 3.102 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.150 4.256 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.739 4.846 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.810 2.628 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.595 4.355 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.911 3.437 1.112 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.463 6.491 -2.675 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.229 6.881 -3.852 1.00 0.00 C ATOM 1371 C GLU A 91 -6.364 6.822 -5.108 1.00 0.00 C ATOM 1372 O GLU A 91 -5.165 7.099 -5.063 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.809 8.285 -3.674 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.811 8.413 -2.536 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.345 9.815 -2.434 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.926 10.647 -3.201 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.252 10.028 -1.665 1.00 0.00 O ATOM 0 H GLU A 91 -5.573 6.979 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.052 6.175 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.990 8.984 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.293 8.585 -4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.636 7.718 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.335 8.134 -1.596 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.982 6.458 -6.227 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.269 6.362 -7.496 1.00 0.00 C ATOM 1386 C PHE A 92 -6.853 7.329 -8.522 1.00 0.00 C ATOM 1387 O PHE A 92 -8.057 7.329 -8.777 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.318 4.929 -8.033 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.670 3.922 -7.126 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.365 3.385 -6.052 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.366 3.507 -7.345 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.770 2.458 -5.217 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.769 2.579 -6.514 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.473 2.054 -5.448 1.00 0.00 C ATOM 0 H PHE A 92 -7.974 6.225 -6.281 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.228 6.634 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.358 4.645 -8.192 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.827 4.898 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.383 3.695 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.809 3.914 -8.176 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.322 2.050 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.752 2.264 -6.698 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.008 1.328 -4.797 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.990 8.151 -9.109 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.431 9.194 -10.027 1.00 0.00 C ATOM 1406 C LEU A 93 -5.940 8.915 -11.445 1.00 0.00 C ATOM 1407 O LEU A 93 -4.745 8.728 -11.671 1.00 0.00 O ATOM 1408 CB LEU A 93 -5.938 10.567 -9.550 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.251 11.736 -10.492 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -7.756 11.956 -10.570 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -5.548 12.990 -9.995 1.00 0.00 C ATOM 0 H LEU A 93 -4.981 8.115 -8.965 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.521 9.198 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.382 10.777 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.859 10.517 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.889 11.503 -11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.968 12.788 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.237 11.054 -10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.142 12.184 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.770 13.821 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.898 13.229 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.472 12.819 -9.973 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.872 8.889 -12.394 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.526 8.687 -13.796 1.00 0.00 C ATOM 1425 C GLU A 94 -6.006 9.977 -14.421 1.00 0.00 C ATOM 1426 O GLU A 94 -6.709 10.986 -14.465 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.737 8.172 -14.578 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.449 7.838 -16.035 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.678 7.322 -16.730 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.701 7.226 -16.095 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.625 7.130 -17.923 1.00 0.00 O ATOM 0 H GLU A 94 -7.870 9.005 -12.217 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.734 7.940 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.122 7.280 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.526 8.923 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.084 8.727 -16.549 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.657 7.091 -16.089 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.768 9.937 -14.902 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.172 11.083 -15.578 1.00 0.00 C ATOM 1440 C ALA A 95 -3.940 10.789 -17.057 1.00 0.00 C ATOM 1441 O ALA A 95 -3.867 9.634 -17.480 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.867 11.474 -14.904 1.00 0.00 C ATOM 0 H ALA A 95 -4.158 9.122 -14.836 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.869 11.918 -15.506 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.434 12.331 -15.420 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.059 11.736 -13.863 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.171 10.636 -14.945 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.820 11.854 -17.862 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.549 11.735 -19.298 1.00 0.00 C ATOM 1450 C PRO A 96 -2.197 11.090 -19.582 1.00 0.00 C ATOM 1451 O PRO A 96 -2.011 10.451 -20.616 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.608 13.180 -19.804 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.339 14.009 -18.595 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.977 13.265 -17.452 1.00 0.00 C ATOM 0 HA PRO A 96 -4.266 11.085 -19.799 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.865 13.359 -20.582 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.582 13.410 -20.235 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.268 14.134 -18.434 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.764 15.007 -18.700 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.478 13.470 -16.505 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.025 13.537 -17.325 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.260 11.260 -18.656 1.00 0.00 N ATOM 1463 CA GLN A 97 0.102 10.780 -18.853 1.00 0.00 C ATOM 1464 C GLN A 97 0.344 9.491 -18.072 1.00 0.00 C ATOM 1465 O GLN A 97 1.351 8.813 -18.271 1.00 0.00 O ATOM 1466 CB GLN A 97 1.115 11.844 -18.423 1.00 0.00 C ATOM 1467 CG GLN A 97 1.045 13.129 -19.230 1.00 0.00 C ATOM 1468 CD GLN A 97 2.071 14.152 -18.778 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.954 13.852 -17.970 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.959 15.370 -19.296 1.00 0.00 N ATOM 0 H GLN A 97 -1.419 11.726 -17.763 1.00 0.00 H new ATOM 0 HA GLN A 97 0.233 10.574 -19.915 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.954 12.079 -17.371 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.119 11.429 -18.507 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.202 12.902 -20.284 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.046 13.556 -19.142 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.213 15.575 -19.961 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.619 16.101 -19.029 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.587 9.162 -17.181 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.411 8.010 -16.317 1.00 0.00 C ATOM 1481 C GLY A 98 -1.486 7.914 -15.251 1.00 0.00 C ATOM 1482 O GLY A 98 -2.499 8.611 -15.318 1.00 0.00 O ATOM 0 H GLY A 98 -1.459 9.673 -17.043 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.420 7.102 -16.921 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.567 8.065 -15.839 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.267 7.046 -14.269 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.163 6.949 -13.123 1.00 0.00 C ATOM 1488 C VAL A 99 -1.436 7.284 -11.826 1.00 0.00 C ATOM 1489 O VAL A 99 -0.351 6.766 -11.555 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.780 5.542 -13.005 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.574 5.414 -11.714 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.666 5.247 -14.206 1.00 0.00 C ATOM 0 H VAL A 99 -0.478 6.400 -14.244 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.961 7.673 -13.286 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.971 4.812 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.002 4.414 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.914 5.583 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.375 6.153 -11.705 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.094 4.249 -14.106 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.469 5.983 -14.255 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.071 5.297 -15.118 1.00 0.00 H new ATOM 1502 N THR A 100 -2.040 8.156 -11.024 1.00 0.00 N ATOM 1503 CA THR A 100 -1.413 8.627 -9.796 1.00 0.00 C ATOM 1504 C THR A 100 -1.985 7.911 -8.576 1.00 0.00 C ATOM 1505 O THR A 100 -3.201 7.804 -8.423 1.00 0.00 O ATOM 1506 CB THR A 100 -1.588 10.145 -9.617 1.00 0.00 C ATOM 1507 OG1 THR A 100 -0.906 10.835 -10.672 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.025 10.594 -8.277 1.00 0.00 C ATOM 0 H THR A 100 -2.963 8.550 -11.204 1.00 0.00 H new ATOM 0 HA THR A 100 -0.350 8.402 -9.881 1.00 0.00 H new ATOM 0 HB THR A 100 -2.652 10.378 -9.649 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.061 10.784 -10.524 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.158 11.670 -8.169 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.550 10.081 -7.471 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.037 10.353 -8.229 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.100 7.424 -7.713 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.519 6.705 -6.515 1.00 0.00 C ATOM 1518 C VAL A 101 -1.303 7.549 -5.265 1.00 0.00 C ATOM 1519 O VAL A 101 -0.175 7.922 -4.941 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.754 5.377 -6.363 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.217 4.633 -5.118 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -0.929 4.516 -7.604 1.00 0.00 C ATOM 0 H VAL A 101 -0.090 7.514 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.582 6.493 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 101 0.307 5.600 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.665 3.697 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.035 5.249 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.283 4.420 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.382 3.582 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.987 4.300 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.544 5.048 -8.474 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.392 7.846 -4.563 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.327 8.672 -3.364 1.00 0.00 C ATOM 1534 C ARG A 102 -2.668 7.855 -2.122 1.00 0.00 C ATOM 1535 O ARG A 102 -3.756 7.286 -2.020 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.197 9.915 -3.472 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.263 10.762 -2.212 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.063 12.006 -2.350 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.502 12.985 -3.267 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.131 14.108 -3.668 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.353 14.378 -3.267 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.495 14.918 -4.495 1.00 0.00 N ATOM 0 H ARG A 102 -3.330 7.527 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.299 9.021 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.823 10.533 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.208 9.610 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.685 10.161 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.249 11.028 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.065 11.743 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.169 12.466 -1.367 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.566 12.810 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.839 13.734 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.815 15.232 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.554 14.686 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.945 15.775 -4.816 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.734 7.801 -1.179 1.00 0.00 N ATOM 1557 CA VAL A 103 -1.943 7.072 0.065 1.00 0.00 C ATOM 1558 C VAL A 103 -1.874 8.004 1.270 1.00 0.00 C ATOM 1559 O VAL A 103 -0.864 8.673 1.491 1.00 0.00 O ATOM 1560 CB VAL A 103 -0.910 5.944 0.241 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.118 5.231 1.569 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -0.999 4.955 -0.912 1.00 0.00 C ATOM 0 H VAL A 103 -0.823 8.254 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.939 6.633 0.006 1.00 0.00 H new ATOM 0 HB VAL A 103 0.086 6.388 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.379 4.437 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.005 5.944 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.119 4.801 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.262 4.165 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.998 4.519 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.802 5.472 -1.851 1.00 0.00 H new ATOM 1572 N SER A 104 -2.953 8.045 2.044 1.00 0.00 N ATOM 1573 CA SER A 104 -2.962 8.778 3.305 1.00 0.00 C ATOM 1574 C SER A 104 -3.154 7.829 4.483 1.00 0.00 C ATOM 1575 O SER A 104 -4.064 7.000 4.485 1.00 0.00 O ATOM 1576 CB SER A 104 -4.052 9.833 3.288 1.00 0.00 C ATOM 1577 OG SER A 104 -3.783 10.853 2.366 1.00 0.00 O ATOM 0 H SER A 104 -3.833 7.579 1.821 1.00 0.00 H new ATOM 0 HA SER A 104 -1.998 9.272 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.005 9.365 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.155 10.263 4.284 1.00 0.00 H new ATOM 0 HG SER A 104 -4.509 11.511 2.385 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.290 7.956 5.484 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.281 7.030 6.611 1.00 0.00 C ATOM 1585 C PHE A 105 -1.919 7.751 7.906 1.00 0.00 C ATOM 1586 O PHE A 105 -1.306 8.818 7.884 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.304 5.882 6.352 1.00 0.00 C ATOM 1588 CG PHE A 105 0.128 6.321 6.236 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.614 6.847 5.048 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.993 6.208 7.314 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.930 7.250 4.940 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.310 6.612 7.208 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.779 7.133 6.021 1.00 0.00 C ATOM 0 H PHE A 105 -1.586 8.692 5.538 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.285 6.618 6.719 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.388 5.156 7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.593 5.371 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.045 6.942 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.633 5.800 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.295 7.657 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.973 6.520 8.056 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.808 7.449 5.938 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.306 7.161 9.033 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.981 7.721 10.339 1.00 0.00 C ATOM 1605 C VAL A 106 -0.557 7.364 10.752 1.00 0.00 C ATOM 1606 O VAL A 106 -0.130 6.219 10.614 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.958 7.231 11.424 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.550 7.762 12.789 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.381 7.656 11.092 1.00 0.00 C ATOM 0 H VAL A 106 -2.845 6.296 9.067 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.069 8.804 10.247 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.921 6.142 11.453 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.252 7.405 13.543 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.547 7.410 13.031 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.558 8.852 12.773 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.057 7.301 11.869 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.432 8.743 11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.674 7.228 10.133 1.00 0.00 H new ATOM 1619 N ALA A 107 0.170 8.353 11.260 1.00 0.00 N ATOM 1620 CA ALA A 107 1.558 8.153 11.655 1.00 0.00 C ATOM 1621 C ALA A 107 1.656 7.248 12.879 1.00 0.00 C ATOM 1622 O ALA A 107 0.864 7.365 13.813 1.00 0.00 O ATOM 1623 CB ALA A 107 2.226 9.492 11.934 1.00 0.00 C ATOM 0 H ALA A 107 -0.179 9.300 11.408 1.00 0.00 H new ATOM 0 HA ALA A 107 2.077 7.664 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.263 9.327 12.228 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.197 10.107 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.697 10.002 12.739 1.00 0.00 H new ATOM 1629 N GLU A 108 2.632 6.344 12.864 1.00 0.00 N ATOM 1630 CA GLU A 108 2.878 5.469 14.004 1.00 0.00 C ATOM 1631 C GLU A 108 3.711 6.182 15.067 1.00 0.00 C ATOM 1632 O GLU A 108 4.816 6.650 14.795 1.00 0.00 O ATOM 1633 CB GLU A 108 3.581 4.187 13.554 1.00 0.00 C ATOM 1634 CG GLU A 108 3.888 3.209 14.680 1.00 0.00 C ATOM 1635 CD GLU A 108 2.626 2.697 15.317 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.837 2.096 14.628 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.502 2.806 16.514 1.00 0.00 O ATOM 0 H GLU A 108 3.264 6.199 12.076 1.00 0.00 H new ATOM 0 HA GLU A 108 1.915 5.205 14.442 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.957 3.686 12.814 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.514 4.454 13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.467 2.372 14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.505 3.700 15.433 1.00 0.00 H new ATOM 1644 N THR A 109 3.170 6.261 16.279 1.00 0.00 N ATOM 1645 CA THR A 109 3.789 7.043 17.342 1.00 0.00 C ATOM 1646 C THR A 109 5.128 6.446 17.755 1.00 0.00 C ATOM 1647 O THR A 109 5.999 7.148 18.272 1.00 0.00 O ATOM 1648 CB THR A 109 2.877 7.139 18.579 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.621 5.824 19.089 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.557 7.804 18.218 1.00 0.00 C ATOM 0 H THR A 109 2.305 5.793 16.549 1.00 0.00 H new ATOM 0 HA THR A 109 3.948 8.045 16.943 1.00 0.00 H new ATOM 0 HB THR A 109 3.379 7.740 19.337 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.042 5.886 19.877 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.925 7.863 19.104 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.747 8.809 17.840 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.052 7.217 17.451 1.00 0.00 H new ATOM 1658 N GLU A 110 5.289 5.146 17.523 1.00 0.00 N ATOM 1659 CA GLU A 110 6.509 4.447 17.912 1.00 0.00 C ATOM 1660 C GLU A 110 7.669 4.827 16.998 1.00 0.00 C ATOM 1661 O GLU A 110 8.835 4.630 17.342 1.00 0.00 O ATOM 1662 CB GLU A 110 6.290 2.933 17.887 1.00 0.00 C ATOM 1663 CG GLU A 110 5.335 2.418 18.955 1.00 0.00 C ATOM 1664 CD GLU A 110 5.129 0.934 18.834 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.702 0.344 17.950 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.488 0.371 19.691 1.00 0.00 O ATOM 0 H GLU A 110 4.591 4.557 17.069 1.00 0.00 H new ATOM 0 HA GLU A 110 6.761 4.748 18.929 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.906 2.650 16.907 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.253 2.437 18.008 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.730 2.653 19.943 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.376 2.929 18.865 1.00 0.00 H new ATOM 1673 N TYR A 111 7.341 5.371 15.831 1.00 0.00 N ATOM 1674 CA TYR A 111 8.353 5.723 14.842 1.00 0.00 C ATOM 1675 C TYR A 111 8.208 7.178 14.408 1.00 0.00 C ATOM 1676 O TYR A 111 7.127 7.765 14.468 1.00 0.00 O ATOM 1677 CB TYR A 111 8.258 4.800 13.626 1.00 0.00 C ATOM 1678 CG TYR A 111 8.562 3.350 13.932 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.557 2.480 14.332 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.853 2.854 13.819 1.00 0.00 C ATOM 1681 CE1 TYR A 111 7.830 1.156 14.613 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.136 1.531 14.098 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.122 0.684 14.495 1.00 0.00 C ATOM 1684 OH TYR A 111 9.399 -0.635 14.772 1.00 0.00 O ATOM 0 H TYR A 111 6.383 5.578 15.547 1.00 0.00 H new ATOM 0 HA TYR A 111 9.332 5.597 15.304 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.254 4.870 13.207 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.949 5.152 12.860 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.545 2.845 14.425 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.650 3.513 13.508 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.036 0.493 14.924 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.147 1.161 14.006 1.00 0.00 H new ATOM 0 HH TYR A 111 10.355 -0.803 14.639 1.00 0.00 H new ATOM 1694 N PRO A 112 9.322 7.775 13.962 1.00 0.00 N ATOM 1695 CA PRO A 112 9.339 9.161 13.479 1.00 0.00 C ATOM 1696 C PRO A 112 8.336 9.395 12.354 1.00 0.00 C ATOM 1697 O PRO A 112 8.141 8.535 11.494 1.00 0.00 O ATOM 1698 CB PRO A 112 10.781 9.368 13.005 1.00 0.00 C ATOM 1699 CG PRO A 112 11.575 8.380 13.788 1.00 0.00 C ATOM 1700 CD PRO A 112 10.685 7.173 13.929 1.00 0.00 C ATOM 0 HA PRO A 112 9.045 9.869 14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.876 9.194 11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.118 10.387 13.193 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.503 8.126 13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.850 8.781 14.763 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.803 6.483 13.094 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.903 6.613 14.838 1.00 0.00 H new ATOM 1708 N VAL A 113 7.702 10.562 12.366 1.00 0.00 N ATOM 1709 CA VAL A 113 6.782 10.944 11.303 1.00 0.00 C ATOM 1710 C VAL A 113 7.470 10.911 9.943 1.00 0.00 C ATOM 1711 O VAL A 113 6.917 10.398 8.971 1.00 0.00 O ATOM 1712 CB VAL A 113 6.197 12.349 11.539 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.422 12.816 10.316 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.302 12.355 12.769 1.00 0.00 C ATOM 0 H VAL A 113 7.809 11.260 13.102 1.00 0.00 H new ATOM 0 HA VAL A 113 5.969 10.218 11.314 1.00 0.00 H new ATOM 0 HB VAL A 113 7.022 13.040 11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.016 13.810 10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.089 12.851 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.606 12.122 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.898 13.356 12.920 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.483 11.650 12.626 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.883 12.063 13.643 1.00 0.00 H new ATOM 1724 N GLU A 114 8.677 11.461 9.882 1.00 0.00 N ATOM 1725 CA GLU A 114 9.444 11.487 8.642 1.00 0.00 C ATOM 1726 C GLU A 114 9.786 10.072 8.186 1.00 0.00 C ATOM 1727 O GLU A 114 9.753 9.769 6.993 1.00 0.00 O ATOM 1728 CB GLU A 114 10.723 12.309 8.819 1.00 0.00 C ATOM 1729 CG GLU A 114 10.492 13.806 8.965 1.00 0.00 C ATOM 1730 CD GLU A 114 11.777 14.531 9.254 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.783 13.880 9.408 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.778 15.738 9.210 1.00 0.00 O ATOM 0 H GLU A 114 9.146 11.895 10.677 1.00 0.00 H new ATOM 0 HA GLU A 114 8.830 11.957 7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.254 11.948 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.373 12.136 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.048 14.199 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.779 13.990 9.769 1.00 0.00 H new ATOM 1739 N GLN A 115 10.114 9.209 9.141 1.00 0.00 N ATOM 1740 CA GLN A 115 10.501 7.838 8.833 1.00 0.00 C ATOM 1741 C GLN A 115 9.337 7.069 8.219 1.00 0.00 C ATOM 1742 O GLN A 115 9.522 6.291 7.283 1.00 0.00 O ATOM 1743 CB GLN A 115 10.987 7.121 10.096 1.00 0.00 C ATOM 1744 CG GLN A 115 11.486 5.706 9.853 1.00 0.00 C ATOM 1745 CD GLN A 115 12.703 5.667 8.949 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.647 6.444 9.122 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.687 4.765 7.975 1.00 0.00 N ATOM 0 H GLN A 115 10.119 9.435 10.136 1.00 0.00 H new ATOM 0 HA GLN A 115 11.315 7.875 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.789 7.705 10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.172 7.088 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.732 5.242 10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.687 5.114 9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.886 4.143 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.476 4.694 7.333 1.00 0.00 H new ATOM 1756 N GLN A 116 8.139 7.294 8.750 1.00 0.00 N ATOM 1757 CA GLN A 116 6.942 6.634 8.239 1.00 0.00 C ATOM 1758 C GLN A 116 6.579 7.162 6.855 1.00 0.00 C ATOM 1759 O GLN A 116 6.181 6.398 5.976 1.00 0.00 O ATOM 1760 CB GLN A 116 5.766 6.839 9.197 1.00 0.00 C ATOM 1761 CG GLN A 116 5.887 6.074 10.505 1.00 0.00 C ATOM 1762 CD GLN A 116 5.820 4.572 10.305 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.839 4.045 9.774 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.865 3.872 10.734 1.00 0.00 N ATOM 0 H GLN A 116 7.971 7.927 9.532 1.00 0.00 H new ATOM 0 HA GLN A 116 7.155 5.568 8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.673 7.902 9.418 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.847 6.536 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.830 6.332 10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 116 5.089 6.384 11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.655 4.349 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.877 2.857 10.630 1.00 0.00 H new ATOM 1773 N GLN A 117 6.718 8.470 6.670 1.00 0.00 N ATOM 1774 CA GLN A 117 6.457 9.090 5.377 1.00 0.00 C ATOM 1775 C GLN A 117 7.370 8.511 4.301 1.00 0.00 C ATOM 1776 O GLN A 117 6.909 8.119 3.228 1.00 0.00 O ATOM 1777 CB GLN A 117 6.650 10.607 5.460 1.00 0.00 C ATOM 1778 CG GLN A 117 6.400 11.338 4.152 1.00 0.00 C ATOM 1779 CD GLN A 117 6.590 12.837 4.283 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.991 13.337 5.337 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.298 13.566 3.211 1.00 0.00 N ATOM 0 H GLN A 117 7.010 9.121 7.399 1.00 0.00 H new ATOM 0 HA GLN A 117 5.423 8.878 5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.979 11.006 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.667 10.815 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.077 10.954 3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.385 11.131 3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.969 13.111 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.403 14.580 3.240 1.00 0.00 H new ATOM 1790 N GLN A 118 8.665 8.459 4.596 1.00 0.00 N ATOM 1791 CA GLN A 118 9.646 7.972 3.634 1.00 0.00 C ATOM 1792 C GLN A 118 9.451 6.483 3.363 1.00 0.00 C ATOM 1793 O GLN A 118 9.610 6.022 2.234 1.00 0.00 O ATOM 1794 CB GLN A 118 11.068 8.223 4.145 1.00 0.00 C ATOM 1795 CG GLN A 118 11.491 9.683 4.114 1.00 0.00 C ATOM 1796 CD GLN A 118 12.867 9.899 4.713 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.491 8.965 5.224 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.348 11.135 4.658 1.00 0.00 N ATOM 0 H GLN A 118 9.058 8.748 5.492 1.00 0.00 H new ATOM 0 HA GLN A 118 9.500 8.518 2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.145 7.855 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.766 7.641 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.487 10.038 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.762 10.281 4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.798 11.878 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.268 11.342 5.048 1.00 0.00 H new ATOM 1807 N GLY A 119 9.104 5.737 4.406 1.00 0.00 N ATOM 1808 CA GLY A 119 8.893 4.308 4.259 1.00 0.00 C ATOM 1809 C GLY A 119 7.753 3.984 3.315 1.00 0.00 C ATOM 1810 O GLY A 119 7.892 3.138 2.431 1.00 0.00 O ATOM 0 H GLY A 119 8.965 6.096 5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.808 3.845 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.686 3.872 5.236 1.00 0.00 H new ATOM 1814 N TRP A 120 6.624 4.656 3.502 1.00 0.00 N ATOM 1815 CA TRP A 120 5.453 4.433 2.662 1.00 0.00 C ATOM 1816 C TRP A 120 5.717 4.884 1.230 1.00 0.00 C ATOM 1817 O TRP A 120 5.256 4.255 0.277 1.00 0.00 O ATOM 1818 CB TRP A 120 4.238 5.168 3.230 1.00 0.00 C ATOM 1819 CG TRP A 120 3.306 4.280 3.999 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.002 4.017 3.704 1.00 0.00 C ATOM 1821 CD2 TRP A 120 3.607 3.539 5.188 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.470 3.159 4.635 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.438 2.850 5.557 1.00 0.00 C ATOM 1824 CE3 TRP A 120 4.755 3.392 5.976 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 2.379 2.031 6.674 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 4.696 2.570 7.096 1.00 0.00 C ATOM 1827 CH2 TRP A 120 3.543 1.909 7.434 1.00 0.00 C ATOM 0 H TRP A 120 6.494 5.360 4.228 1.00 0.00 H new ATOM 0 HA TRP A 120 5.244 3.363 2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.582 5.971 3.882 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.690 5.634 2.411 1.00 0.00 H new ATOM 0 HD1 TRP A 120 1.465 4.424 2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.512 2.809 4.640 1.00 0.00 H new ATOM 0 HE3 TRP A 120 5.669 3.907 5.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.472 1.510 6.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.575 2.450 7.712 1.00 0.00 H new ATOM 0 HH2 TRP A 120 3.536 1.278 8.311 1.00 0.00 H new ATOM 1838 N GLN A 121 6.462 5.975 1.085 1.00 0.00 N ATOM 1839 CA GLN A 121 6.858 6.461 -0.232 1.00 0.00 C ATOM 1840 C GLN A 121 7.779 5.462 -0.925 1.00 0.00 C ATOM 1841 O GLN A 121 7.651 5.215 -2.123 1.00 0.00 O ATOM 1842 CB GLN A 121 7.555 7.818 -0.117 1.00 0.00 C ATOM 1843 CG GLN A 121 7.918 8.446 -1.452 1.00 0.00 C ATOM 1844 CD GLN A 121 6.694 8.824 -2.265 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.818 9.553 -1.793 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.626 8.325 -3.495 1.00 0.00 N ATOM 0 H GLN A 121 6.804 6.539 1.863 1.00 0.00 H new ATOM 0 HA GLN A 121 5.955 6.577 -0.832 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.906 8.502 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.463 7.699 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.525 9.335 -1.279 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.530 7.749 -2.024 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.374 7.726 -3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.826 8.541 -4.089 1.00 0.00 H new ATOM 1855 N ALA A 122 8.706 4.891 -0.163 1.00 0.00 N ATOM 1856 CA ALA A 122 9.643 3.913 -0.703 1.00 0.00 C ATOM 1857 C ALA A 122 8.915 2.662 -1.180 1.00 0.00 C ATOM 1858 O ALA A 122 9.290 2.061 -2.187 1.00 0.00 O ATOM 1859 CB ALA A 122 10.689 3.552 0.341 1.00 0.00 C ATOM 0 H ALA A 122 8.828 5.089 0.830 1.00 0.00 H new ATOM 0 HA ALA A 122 10.143 4.361 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.382 2.821 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.238 4.448 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.198 3.128 1.217 1.00 0.00 H new ATOM 1865 N ILE A 123 7.872 2.275 -0.453 1.00 0.00 N ATOM 1866 CA ILE A 123 7.039 1.148 -0.853 1.00 0.00 C ATOM 1867 C ILE A 123 6.327 1.430 -2.171 1.00 0.00 C ATOM 1868 O ILE A 123 6.287 0.582 -3.062 1.00 0.00 O ATOM 1869 CB ILE A 123 5.993 0.809 0.226 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.677 0.257 1.479 1.00 0.00 C ATOM 1871 CG2 ILE A 123 4.978 -0.188 -0.314 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.771 0.185 2.687 1.00 0.00 C ATOM 0 H ILE A 123 7.584 2.725 0.416 1.00 0.00 H new ATOM 0 HA ILE A 123 7.704 0.294 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 123 5.466 1.723 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.059 -0.741 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.537 0.883 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.246 -0.417 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.470 0.241 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.490 -1.103 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.326 -0.216 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.409 1.184 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.924 -0.465 2.468 1.00 0.00 H new ATOM 1884 N LEU A 124 5.767 2.629 -2.289 1.00 0.00 N ATOM 1885 CA LEU A 124 5.135 3.060 -3.532 1.00 0.00 C ATOM 1886 C LEU A 124 6.173 3.239 -4.635 1.00 0.00 C ATOM 1887 O LEU A 124 5.885 3.028 -5.813 1.00 0.00 O ATOM 1888 CB LEU A 124 4.358 4.364 -3.309 1.00 0.00 C ATOM 1889 CG LEU A 124 3.113 4.238 -2.423 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.500 5.612 -2.185 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.108 3.308 -3.084 1.00 0.00 C ATOM 0 H LEU A 124 5.738 3.320 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 124 4.436 2.286 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.030 5.097 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.056 4.759 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 124 3.396 3.818 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.616 5.512 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.228 6.254 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.216 6.054 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.224 3.220 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.822 3.713 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.557 2.324 -3.219 1.00 0.00 H new ATOM 1903 N ASN A 125 7.382 3.629 -4.246 1.00 0.00 N ATOM 1904 CA ASN A 125 8.483 3.767 -5.192 1.00 0.00 C ATOM 1905 C ASN A 125 8.871 2.412 -5.778 1.00 0.00 C ATOM 1906 O ASN A 125 9.186 2.304 -6.962 1.00 0.00 O ATOM 1907 CB ASN A 125 9.689 4.428 -4.551 1.00 0.00 C ATOM 1908 CG ASN A 125 9.499 5.894 -4.273 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.577 6.531 -4.797 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.411 6.449 -3.517 1.00 0.00 N ATOM 0 H ASN A 125 7.624 3.855 -3.281 1.00 0.00 H new ATOM 0 HA ASN A 125 8.137 4.410 -6.001 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.918 3.917 -3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.552 4.300 -5.204 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.382 7.452 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.151 5.878 -3.108 1.00 0.00 H new ATOM 1917 N ASN A 126 8.843 1.383 -4.939 1.00 0.00 N ATOM 1918 CA ASN A 126 9.036 0.014 -5.403 1.00 0.00 C ATOM 1919 C ASN A 126 7.890 -0.419 -6.312 1.00 0.00 C ATOM 1920 O ASN A 126 8.094 -1.150 -7.282 1.00 0.00 O ATOM 1921 CB ASN A 126 9.181 -0.953 -4.242 1.00 0.00 C ATOM 1922 CG ASN A 126 10.509 -0.865 -3.543 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.570 -0.872 -4.178 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.459 -0.862 -2.236 1.00 0.00 N ATOM 0 H ASN A 126 8.689 1.470 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 126 9.963 -0.007 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.387 -0.761 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.040 -1.970 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.322 -0.865 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.557 -0.856 -1.760 1.00 0.00 H new ATOM 1931 N PHE A 127 6.684 0.039 -5.994 1.00 0.00 N ATOM 1932 CA PHE A 127 5.527 -0.192 -6.850 1.00 0.00 C ATOM 1933 C PHE A 127 5.741 0.424 -8.231 1.00 0.00 C ATOM 1934 O PHE A 127 5.419 -0.184 -9.252 1.00 0.00 O ATOM 1935 CB PHE A 127 4.262 0.378 -6.207 1.00 0.00 C ATOM 1936 CG PHE A 127 3.013 0.135 -7.005 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.042 -0.662 -8.140 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.807 0.704 -6.624 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.894 -0.886 -8.875 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.657 0.480 -7.357 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.701 -0.315 -8.483 1.00 0.00 C ATOM 0 H PHE A 127 6.483 0.573 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 127 5.404 -1.268 -6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.140 -0.061 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.389 1.451 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.973 -1.112 -8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.766 1.329 -5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.931 -1.508 -9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.276 0.928 -7.048 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.197 -0.490 -9.057 1.00 0.00 H new ATOM 1951 N LYS A 128 6.287 1.635 -8.253 1.00 0.00 N ATOM 1952 CA LYS A 128 6.604 2.308 -9.506 1.00 0.00 C ATOM 1953 C LYS A 128 7.594 1.490 -10.328 1.00 0.00 C ATOM 1954 O LYS A 128 7.412 1.302 -11.531 1.00 0.00 O ATOM 1955 CB LYS A 128 7.166 3.705 -9.238 1.00 0.00 C ATOM 1956 CG LYS A 128 7.491 4.504 -10.493 1.00 0.00 C ATOM 1957 CD LYS A 128 7.901 5.929 -10.151 1.00 0.00 C ATOM 1958 CE LYS A 128 8.146 6.751 -11.408 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.414 6.367 -12.086 1.00 0.00 N ATOM 0 H LYS A 128 6.519 2.170 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 128 5.682 2.406 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.445 4.265 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.071 3.610 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.296 4.013 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.622 4.521 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.122 6.400 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.805 5.913 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.312 6.618 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 128 8.179 7.809 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.586 7.006 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.203 6.437 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.340 5.389 -12.432 1.00 0.00 H new ATOM 1973 N ARG A 129 8.642 1.004 -9.671 1.00 0.00 N ATOM 1974 CA ARG A 129 9.644 0.178 -10.334 1.00 0.00 C ATOM 1975 C ARG A 129 9.023 -1.111 -10.862 1.00 0.00 C ATOM 1976 O ARG A 129 9.411 -1.613 -11.918 1.00 0.00 O ATOM 1977 CB ARG A 129 10.843 -0.101 -9.439 1.00 0.00 C ATOM 1978 CG ARG A 129 11.635 1.129 -9.027 1.00 0.00 C ATOM 1979 CD ARG A 129 12.273 1.852 -10.158 1.00 0.00 C ATOM 1980 NE ARG A 129 13.194 2.904 -9.758 1.00 0.00 N ATOM 1981 CZ ARG A 129 13.741 3.802 -10.599 1.00 0.00 C ATOM 1982 NH1 ARG A 129 13.497 3.759 -11.890 1.00 0.00 N ATOM 1983 NH2 ARG A 129 14.553 4.716 -10.095 1.00 0.00 N ATOM 0 H ARG A 129 8.819 1.168 -8.680 1.00 0.00 H new ATOM 0 HA ARG A 129 10.019 0.744 -11.187 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.496 -0.610 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.512 -0.789 -9.956 1.00 0.00 H new ATOM 0 HG2 ARG A 129 10.971 1.815 -8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.409 0.829 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.810 1.132 -10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 129 11.492 2.288 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 129 13.443 2.966 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.884 3.037 -12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.920 4.448 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.750 4.727 -9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 129 14.983 5.410 -10.707 1.00 0.00 H new ATOM 1997 N HIS A 130 8.057 -1.644 -10.120 1.00 0.00 N ATOM 1998 CA HIS A 130 7.318 -2.822 -10.559 1.00 0.00 C ATOM 1999 C HIS A 130 6.571 -2.541 -11.859 1.00 0.00 C ATOM 2000 O HIS A 130 6.598 -3.347 -12.789 1.00 0.00 O ATOM 2001 CB HIS A 130 6.335 -3.281 -9.477 1.00 0.00 C ATOM 2002 CG HIS A 130 5.550 -4.499 -9.855 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.108 -5.760 -9.901 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.251 -4.648 -10.207 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.184 -6.633 -10.263 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.050 -5.984 -10.455 1.00 0.00 N ATOM 0 H HIS A 130 7.768 -1.279 -9.212 1.00 0.00 H new ATOM 0 HA HIS A 130 8.038 -3.620 -10.738 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.887 -3.486 -8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.644 -2.467 -9.258 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.512 -3.864 -10.279 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.331 -7.696 -10.382 1.00 0.00 H new ATOM 0 HE2 HIS A 130 3.167 -6.407 -10.741 1.00 0.00 H new ATOM 2013 N VAL A 131 5.905 -1.393 -11.919 1.00 0.00 N ATOM 2014 CA VAL A 131 5.210 -0.972 -13.128 1.00 0.00 C ATOM 2015 C VAL A 131 6.184 -0.792 -14.287 1.00 0.00 C ATOM 2016 O VAL A 131 5.887 -1.163 -15.423 1.00 0.00 O ATOM 2017 CB VAL A 131 4.437 0.341 -12.909 1.00 0.00 C ATOM 2018 CG1 VAL A 131 3.920 0.884 -14.234 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.286 0.127 -11.938 1.00 0.00 C ATOM 0 H VAL A 131 5.832 -0.736 -11.142 1.00 0.00 H new ATOM 0 HA VAL A 131 4.500 -1.761 -13.373 1.00 0.00 H new ATOM 0 HB VAL A 131 5.120 1.073 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.376 1.812 -14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.760 1.076 -14.901 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.253 0.153 -14.691 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.751 1.066 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.604 -0.622 -12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.677 -0.217 -10.980 1.00 0.00 H new ATOM 2029 N GLU A 132 7.348 -0.222 -13.992 1.00 0.00 N ATOM 2030 CA GLU A 132 8.351 0.039 -15.016 1.00 0.00 C ATOM 2031 C GLU A 132 8.820 -1.261 -15.663 1.00 0.00 C ATOM 2032 O GLU A 132 9.186 -1.286 -16.838 1.00 0.00 O ATOM 2033 CB GLU A 132 9.543 0.793 -14.420 1.00 0.00 C ATOM 2034 CG GLU A 132 9.268 2.257 -14.108 1.00 0.00 C ATOM 2035 CD GLU A 132 10.459 2.912 -13.469 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.437 2.239 -13.248 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.437 4.109 -13.302 1.00 0.00 O ATOM 0 H GLU A 132 7.619 0.068 -13.052 1.00 0.00 H new ATOM 0 HA GLU A 132 7.893 0.660 -15.786 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.854 0.291 -13.504 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.380 0.733 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.009 2.784 -15.026 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.408 2.334 -13.443 1.00 0.00 H new ATOM 2044 N SER A 133 8.805 -2.340 -14.887 1.00 0.00 N ATOM 2045 CA SER A 133 9.222 -3.645 -15.385 1.00 0.00 C ATOM 2046 C SER A 133 8.158 -4.242 -16.302 1.00 0.00 C ATOM 2047 O SER A 133 8.421 -5.189 -17.043 1.00 0.00 O ATOM 2048 CB SER A 133 9.510 -4.580 -14.227 1.00 0.00 C ATOM 2049 OG SER A 133 8.340 -4.969 -13.561 1.00 0.00 O ATOM 0 H SER A 133 8.509 -2.336 -13.911 1.00 0.00 H new ATOM 0 HA SER A 133 10.135 -3.515 -15.966 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.028 -5.465 -14.596 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.181 -4.088 -13.523 1.00 0.00 H new ATOM 0 HG SER A 133 7.969 -4.202 -13.077 1.00 0.00 H new ATOM 2055 N HIS A 134 6.955 -3.681 -16.245 1.00 0.00 N ATOM 2056 CA HIS A 134 5.860 -4.130 -17.098 1.00 0.00 C ATOM 2057 C HIS A 134 5.767 -3.275 -18.358 1.00 0.00 C ATOM 2058 O HIS A 134 4.799 -3.368 -19.114 1.00 0.00 O ATOM 2059 CB HIS A 134 4.530 -4.095 -16.338 1.00 0.00 C ATOM 2060 CG HIS A 134 4.426 -5.125 -15.257 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.410 -6.479 -15.520 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.334 -5.001 -13.913 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.312 -7.144 -14.382 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.264 -6.271 -13.392 1.00 0.00 N ATOM 0 H HIS A 134 6.713 -2.914 -15.617 1.00 0.00 H new ATOM 0 HA HIS A 134 6.066 -5.159 -17.392 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.399 -3.106 -15.899 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.714 -4.240 -17.046 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.318 -4.077 -13.354 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.277 -8.219 -14.279 1.00 0.00 H new ATOM 0 HE2 HIS A 134 4.187 -6.502 -12.401 1.00 0.00 H new