USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 972 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 103 GLN : amide:sc= -0.0759 K(o=-0.065,f=-0.65) USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0.0113 USER MOD Set 2.1: A 30 ASN : amide:sc= -0.625 X(o=-0.8,f=-1.3) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.178 X(o=-0.8,f=-0.95) USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.141) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.496 (180deg=0.277) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= -0.338! (180deg=-0.48!) USER MOD Single : A 4 SER OG : rot 31:sc= 0.133 USER MOD Single : A 8 HIS : no HE2:sc= -0.197 K(o=0.00031,f=-2.9) USER MOD Single : A 11 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.8!) USER MOD Single : A 21 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.4!) USER MOD Single : A 25 CYS SG : rot -130:sc= -1.19 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 41:sc= 0.176 USER MOD Single : A 52 CYS SG : rot -162:sc= -1.65! USER MOD Single : A 54 HIS : no HE2:sc= 0.098 K(o=0.098,f=-0.4) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.689 (180deg=0.491) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 67 THR OG1 : rot -99:sc= -0.173 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 140:sc= 0.506 USER MOD Single : A 80 SER OG : rot -112:sc= 0.523 USER MOD Single : A 83 MET CE :methyl -152:sc= -0.678 (180deg=-1.54) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 87:sc= 0.358 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 117 GLN : amide:sc= -2.03! C(o=-2!,f=-3.8!) USER MOD Single : A 118 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 122 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.46) USER MOD Single : A 127 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.39) USER MOD Single : A 129 LYS NZ :NH3+ 160:sc= 0.463 (180deg=0.282) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.371 16.275 3.312 1.00 0.00 N ATOM 2 CA MET A 1 6.628 16.115 4.584 1.00 0.00 C ATOM 3 C MET A 1 6.204 14.657 4.698 1.00 0.00 C ATOM 4 O MET A 1 5.538 14.160 3.808 1.00 0.00 O ATOM 5 CB MET A 1 5.392 17.066 4.610 1.00 0.00 C ATOM 6 CG MET A 1 4.635 17.137 5.956 1.00 0.00 C ATOM 7 SD MET A 1 3.777 15.608 6.404 1.00 0.00 S ATOM 8 CE MET A 1 3.087 16.033 8.007 1.00 0.00 C ATOM 0 H1 MET A 1 7.350 17.273 3.021 1.00 0.00 H new ATOM 0 H2 MET A 1 8.358 15.974 3.446 1.00 0.00 H new ATOM 0 H3 MET A 1 6.928 15.690 2.575 1.00 0.00 H new ATOM 0 HA MET A 1 7.258 16.380 5.433 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.723 18.070 4.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.693 16.747 3.837 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.343 17.388 6.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.908 17.948 5.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.816 15.121 8.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.827 16.585 8.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.199 16.651 7.869 1.00 0.00 H new ATOM 20 N LYS A 2 6.598 13.958 5.772 1.00 0.00 N ATOM 21 CA LYS A 2 6.277 12.530 5.936 1.00 0.00 C ATOM 22 C LYS A 2 5.160 12.340 6.962 1.00 0.00 C ATOM 23 O LYS A 2 5.123 13.027 7.985 1.00 0.00 O ATOM 24 CB LYS A 2 7.540 11.738 6.390 1.00 0.00 C ATOM 25 CG LYS A 2 8.751 11.841 5.445 1.00 0.00 C ATOM 26 CD LYS A 2 8.438 11.356 4.016 1.00 0.00 C ATOM 27 CE LYS A 2 9.664 11.425 3.100 1.00 0.00 C ATOM 28 NZ LYS A 2 9.345 10.998 1.717 1.00 0.00 N ATOM 0 H LYS A 2 7.139 14.356 6.540 1.00 0.00 H new ATOM 0 HA LYS A 2 5.940 12.148 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.837 12.094 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.271 10.687 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.088 12.877 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.574 11.253 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.073 10.330 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.637 11.964 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.049 12.444 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.454 10.791 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.226 10.896 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.846 10.086 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.740 11.712 1.264 1.00 0.00 H new ATOM 42 N ILE A 3 4.263 11.391 6.673 1.00 0.00 N ATOM 43 CA ILE A 3 3.221 10.928 7.592 1.00 0.00 C ATOM 44 C ILE A 3 3.406 9.411 7.776 1.00 0.00 C ATOM 45 O ILE A 3 3.257 8.646 6.814 1.00 0.00 O ATOM 46 CB ILE A 3 1.768 11.211 7.036 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.602 12.704 6.608 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.685 10.805 8.075 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.273 13.031 5.952 1.00 0.00 C ATOM 0 H ILE A 3 4.242 10.913 5.772 1.00 0.00 H new ATOM 0 HA ILE A 3 3.317 11.466 8.535 1.00 0.00 H new ATOM 0 HB ILE A 3 1.630 10.596 6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.723 13.336 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.406 12.962 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.305 11.010 7.668 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.773 9.741 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.826 11.379 8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.248 14.088 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.155 12.430 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.539 12.810 6.645 1.00 0.00 H new ATOM 61 N SER A 4 3.768 8.986 8.992 1.00 0.00 N ATOM 62 CA SER A 4 3.893 7.566 9.335 1.00 0.00 C ATOM 63 C SER A 4 2.533 7.060 9.845 1.00 0.00 C ATOM 64 O SER A 4 1.969 7.629 10.792 1.00 0.00 O ATOM 65 CB SER A 4 5.004 7.383 10.401 1.00 0.00 C ATOM 66 OG SER A 4 4.781 8.205 11.540 1.00 0.00 O ATOM 0 H SER A 4 3.982 9.617 9.765 1.00 0.00 H new ATOM 0 HA SER A 4 4.176 6.984 8.458 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.044 6.338 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.972 7.624 9.962 1.00 0.00 H new ATOM 0 HG SER A 4 3.818 8.329 11.670 1.00 0.00 H new ATOM 72 N ILE A 5 1.978 6.038 9.179 1.00 0.00 N ATOM 73 CA ILE A 5 0.734 5.383 9.623 1.00 0.00 C ATOM 74 C ILE A 5 1.045 3.930 9.968 1.00 0.00 C ATOM 75 O ILE A 5 1.737 3.253 9.218 1.00 0.00 O ATOM 76 CB ILE A 5 -0.406 5.482 8.538 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.038 4.865 7.178 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.856 6.949 8.361 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.014 4.827 6.091 1.00 0.00 C ATOM 0 H ILE A 5 2.372 5.643 8.325 1.00 0.00 H new ATOM 0 HA ILE A 5 0.358 5.899 10.507 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.256 4.900 8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.894 5.429 6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.382 3.847 7.359 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.643 7.000 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.235 7.330 9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.008 7.554 8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.592 4.378 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.864 4.234 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.344 5.842 5.869 1.00 0.00 H new ATOM 91 N GLU A 6 0.522 3.454 11.099 1.00 0.00 N ATOM 92 CA GLU A 6 0.868 2.133 11.656 1.00 0.00 C ATOM 93 C GLU A 6 -0.289 1.145 11.441 1.00 0.00 C ATOM 94 O GLU A 6 -1.406 1.547 11.104 1.00 0.00 O ATOM 95 CB GLU A 6 1.207 2.265 13.168 1.00 0.00 C ATOM 96 CG GLU A 6 2.437 3.157 13.478 1.00 0.00 C ATOM 97 CD GLU A 6 2.757 3.269 14.986 1.00 0.00 C ATOM 98 OE1 GLU A 6 3.022 2.233 15.627 1.00 0.00 O ATOM 99 OE2 GLU A 6 2.740 4.390 15.537 1.00 0.00 O ATOM 0 H GLU A 6 -0.155 3.970 11.660 1.00 0.00 H new ATOM 0 HA GLU A 6 1.746 1.748 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.339 2.672 13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.384 1.270 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.307 2.754 12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.261 4.155 13.077 1.00 0.00 H new ATOM 106 N ALA A 7 0.011 -0.152 11.606 1.00 0.00 N ATOM 107 CA ALA A 7 -0.979 -1.239 11.586 1.00 0.00 C ATOM 108 C ALA A 7 -0.340 -2.478 12.225 1.00 0.00 C ATOM 109 O ALA A 7 0.487 -3.145 11.605 1.00 0.00 O ATOM 110 CB ALA A 7 -1.447 -1.528 10.139 1.00 0.00 C ATOM 0 H ALA A 7 0.964 -0.480 11.760 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.864 -0.952 12.153 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.179 -2.336 10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.901 -0.631 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.591 -1.821 9.531 1.00 0.00 H new ATOM 116 N HIS A 8 -0.748 -2.794 13.459 1.00 0.00 N ATOM 117 CA HIS A 8 -0.151 -3.870 14.252 1.00 0.00 C ATOM 118 C HIS A 8 -1.026 -5.123 14.125 1.00 0.00 C ATOM 119 O HIS A 8 -1.928 -5.350 14.938 1.00 0.00 O ATOM 120 CB HIS A 8 -0.019 -3.427 15.729 1.00 0.00 C ATOM 121 CG HIS A 8 0.736 -4.402 16.585 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.177 -5.544 17.116 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.025 -4.403 16.977 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.092 -6.197 17.800 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.220 -5.528 17.728 1.00 0.00 N ATOM 0 H HIS A 8 -1.506 -2.307 13.937 1.00 0.00 H new ATOM 0 HA HIS A 8 0.849 -4.099 13.883 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.483 -2.460 15.766 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.016 -3.285 16.147 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -0.793 -5.837 16.998 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.766 -3.654 16.741 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.941 -7.126 18.331 1.00 0.00 H new ATOM 134 N ILE A 9 -0.784 -5.898 13.065 1.00 0.00 N ATOM 135 CA ILE A 9 -1.564 -7.107 12.757 1.00 0.00 C ATOM 136 C ILE A 9 -0.914 -8.312 13.460 1.00 0.00 C ATOM 137 O ILE A 9 0.307 -8.402 13.496 1.00 0.00 O ATOM 138 CB ILE A 9 -1.606 -7.360 11.195 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.929 -6.036 10.417 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.634 -8.468 10.846 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.835 -6.135 8.899 1.00 0.00 C ATOM 0 H ILE A 9 -0.041 -5.708 12.393 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.586 -6.973 13.111 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.618 -7.699 10.883 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.936 -5.714 10.682 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.246 -5.258 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.647 -8.626 9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.353 -9.395 11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.626 -8.162 11.180 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.076 -5.169 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.822 -6.422 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.539 -6.885 8.539 1.00 0.00 H new ATOM 153 N GLU A 10 -1.720 -9.231 14.023 1.00 0.00 N ATOM 154 CA GLU A 10 -1.218 -10.499 14.590 1.00 0.00 C ATOM 155 C GLU A 10 -1.155 -11.545 13.467 1.00 0.00 C ATOM 156 O GLU A 10 -1.921 -12.516 13.441 1.00 0.00 O ATOM 157 CB GLU A 10 -2.096 -10.997 15.784 1.00 0.00 C ATOM 158 CG GLU A 10 -2.075 -10.107 17.048 1.00 0.00 C ATOM 159 CD GLU A 10 -2.619 -8.684 16.827 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.831 -8.534 16.566 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.841 -7.707 16.906 1.00 0.00 O ATOM 0 H GLU A 10 -2.731 -9.118 14.098 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.220 -10.336 14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.127 -11.085 15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.766 -11.998 16.061 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.661 -10.591 17.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.051 -10.039 17.414 1.00 0.00 H new ATOM 168 N GLN A 11 -0.260 -11.284 12.520 1.00 0.00 N ATOM 169 CA GLN A 11 -0.047 -12.133 11.348 1.00 0.00 C ATOM 170 C GLN A 11 1.433 -12.081 10.967 1.00 0.00 C ATOM 171 O GLN A 11 2.075 -11.050 11.162 1.00 0.00 O ATOM 172 CB GLN A 11 -0.938 -11.658 10.167 1.00 0.00 C ATOM 173 CG GLN A 11 -0.996 -12.639 8.986 1.00 0.00 C ATOM 174 CD GLN A 11 -1.708 -13.950 9.305 1.00 0.00 C ATOM 175 OE1 GLN A 11 -1.329 -15.008 8.804 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.777 -13.893 10.093 1.00 0.00 N ATOM 0 H GLN A 11 0.348 -10.465 12.543 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.325 -13.161 11.580 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.950 -11.490 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.566 -10.698 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.502 -12.156 8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.020 -12.859 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.068 -13.002 10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.307 -14.741 10.296 1.00 0.00 H new ATOM 185 N GLU A 12 1.946 -13.189 10.415 1.00 0.00 N ATOM 186 CA GLU A 12 3.372 -13.354 10.072 1.00 0.00 C ATOM 187 C GLU A 12 3.780 -12.388 8.949 1.00 0.00 C ATOM 188 O GLU A 12 2.969 -12.104 8.078 1.00 0.00 O ATOM 189 CB GLU A 12 3.598 -14.822 9.647 1.00 0.00 C ATOM 190 CG GLU A 12 3.222 -15.850 10.736 1.00 0.00 C ATOM 191 CD GLU A 12 3.247 -17.291 10.228 1.00 0.00 C ATOM 192 OE1 GLU A 12 2.273 -17.708 9.563 1.00 0.00 O ATOM 193 OE2 GLU A 12 4.252 -18.000 10.452 1.00 0.00 O ATOM 0 H GLU A 12 1.379 -14.007 10.190 1.00 0.00 H new ATOM 0 HA GLU A 12 3.992 -13.119 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.012 -15.025 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.646 -14.956 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.913 -15.753 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.226 -15.621 11.116 1.00 0.00 H new ATOM 200 N ILE A 13 5.046 -11.927 8.964 1.00 0.00 N ATOM 201 CA ILE A 13 5.539 -10.851 8.063 1.00 0.00 C ATOM 202 C ILE A 13 5.489 -11.279 6.587 1.00 0.00 C ATOM 203 O ILE A 13 5.260 -10.455 5.695 1.00 0.00 O ATOM 204 CB ILE A 13 6.995 -10.388 8.478 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.464 -9.141 7.659 1.00 0.00 C ATOM 206 CG2 ILE A 13 8.017 -11.545 8.378 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.809 -8.573 8.088 1.00 0.00 C ATOM 0 H ILE A 13 5.760 -12.286 9.598 1.00 0.00 H new ATOM 0 HA ILE A 13 4.870 -9.997 8.174 1.00 0.00 H new ATOM 0 HB ILE A 13 6.945 -10.089 9.525 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.519 -9.414 6.605 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.709 -8.360 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.003 -11.186 8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.715 -12.356 9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.054 -11.910 7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.055 -7.712 7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.757 -8.265 9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.579 -9.335 7.973 1.00 0.00 H new ATOM 219 N GLU A 14 5.666 -12.596 6.363 1.00 0.00 N ATOM 220 CA GLU A 14 5.549 -13.212 5.038 1.00 0.00 C ATOM 221 C GLU A 14 4.076 -13.227 4.584 1.00 0.00 C ATOM 222 O GLU A 14 3.779 -12.900 3.436 1.00 0.00 O ATOM 223 CB GLU A 14 6.150 -14.645 5.048 1.00 0.00 C ATOM 224 CG GLU A 14 7.656 -14.690 5.394 1.00 0.00 C ATOM 225 CD GLU A 14 8.257 -16.104 5.318 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.599 -16.549 4.200 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.379 -16.776 6.367 1.00 0.00 O ATOM 0 H GLU A 14 5.895 -13.260 7.103 1.00 0.00 H new ATOM 0 HA GLU A 14 6.117 -12.618 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.603 -15.253 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.998 -15.099 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.198 -14.035 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.803 -14.294 6.399 1.00 0.00 H new ATOM 234 N ALA A 15 3.165 -13.550 5.519 1.00 0.00 N ATOM 235 CA ALA A 15 1.712 -13.636 5.253 1.00 0.00 C ATOM 236 C ALA A 15 1.107 -12.251 4.928 1.00 0.00 C ATOM 237 O ALA A 15 0.321 -12.105 3.974 1.00 0.00 O ATOM 238 CB ALA A 15 1.001 -14.274 6.449 1.00 0.00 C ATOM 0 H ALA A 15 3.414 -13.760 6.486 1.00 0.00 H new ATOM 0 HA ALA A 15 1.564 -14.264 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.068 -14.334 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.396 -15.276 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.168 -13.666 7.338 1.00 0.00 H new ATOM 244 N VAL A 16 1.494 -11.248 5.738 1.00 0.00 N ATOM 245 CA VAL A 16 1.143 -9.832 5.536 1.00 0.00 C ATOM 246 C VAL A 16 1.647 -9.364 4.154 1.00 0.00 C ATOM 247 O VAL A 16 0.922 -8.676 3.418 1.00 0.00 O ATOM 248 CB VAL A 16 1.755 -8.939 6.687 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.516 -7.432 6.452 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.207 -9.361 8.073 1.00 0.00 C ATOM 0 H VAL A 16 2.070 -11.403 6.566 1.00 0.00 H new ATOM 0 HA VAL A 16 0.059 -9.726 5.570 1.00 0.00 H new ATOM 0 HB VAL A 16 2.832 -9.106 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.956 -6.862 7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.979 -7.133 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.445 -7.236 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.646 -8.729 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.123 -9.249 8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.466 -10.402 8.265 1.00 0.00 H new ATOM 260 N TRP A 17 2.881 -9.796 3.801 1.00 0.00 N ATOM 261 CA TRP A 17 3.493 -9.478 2.504 1.00 0.00 C ATOM 262 C TRP A 17 2.712 -10.097 1.337 1.00 0.00 C ATOM 263 O TRP A 17 2.612 -9.463 0.296 1.00 0.00 O ATOM 264 CB TRP A 17 4.970 -9.934 2.440 1.00 0.00 C ATOM 265 CG TRP A 17 5.655 -9.585 1.130 1.00 0.00 C ATOM 266 CD1 TRP A 17 5.927 -10.418 0.076 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.124 -8.295 0.738 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.524 -9.723 -0.936 1.00 0.00 N ATOM 269 CE2 TRP A 17 6.668 -8.421 -0.549 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.148 -7.047 1.361 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.214 -7.348 -1.229 1.00 0.00 C ATOM 272 CZ3 TRP A 17 6.696 -5.984 0.685 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.225 -6.143 -0.598 1.00 0.00 C ATOM 0 H TRP A 17 3.469 -10.369 4.406 1.00 0.00 H new ATOM 0 HA TRP A 17 3.458 -8.393 2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.520 -9.475 3.262 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.016 -11.013 2.589 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.701 -11.474 0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.815 -10.112 -1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.744 -6.919 2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 7.617 -7.462 -2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.718 -5.011 1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.653 -5.289 -1.101 1.00 0.00 H new ATOM 284 N TRP A 18 2.177 -11.336 1.507 1.00 0.00 N ATOM 285 CA TRP A 18 1.362 -11.993 0.453 1.00 0.00 C ATOM 286 C TRP A 18 0.191 -11.082 0.081 1.00 0.00 C ATOM 287 O TRP A 18 0.028 -10.673 -1.068 1.00 0.00 O ATOM 288 CB TRP A 18 0.765 -13.348 0.906 1.00 0.00 C ATOM 289 CG TRP A 18 1.727 -14.420 1.331 1.00 0.00 C ATOM 290 CD1 TRP A 18 3.050 -14.573 1.005 1.00 0.00 C ATOM 291 CD2 TRP A 18 1.381 -15.543 2.145 1.00 0.00 C ATOM 292 NE1 TRP A 18 3.544 -15.706 1.602 1.00 0.00 N ATOM 293 CE2 TRP A 18 2.534 -16.319 2.303 1.00 0.00 C ATOM 294 CE3 TRP A 18 0.191 -15.947 2.766 1.00 0.00 C ATOM 295 CZ2 TRP A 18 2.537 -17.492 3.054 1.00 0.00 C ATOM 296 CZ3 TRP A 18 0.194 -17.112 3.510 1.00 0.00 C ATOM 297 CH2 TRP A 18 1.363 -17.871 3.650 1.00 0.00 C ATOM 0 H TRP A 18 2.294 -11.893 2.354 1.00 0.00 H new ATOM 0 HA TRP A 18 2.030 -12.174 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.086 -13.156 1.737 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.163 -13.741 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.617 -13.904 0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.506 -16.039 1.536 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.710 -15.360 2.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 3.434 -18.083 3.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.716 -17.441 3.989 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.338 -18.775 4.241 1.00 0.00 H new ATOM 308 N ALA A 19 -0.574 -10.726 1.116 1.00 0.00 N ATOM 309 CA ALA A 19 -1.787 -9.925 0.972 1.00 0.00 C ATOM 310 C ALA A 19 -1.473 -8.490 0.488 1.00 0.00 C ATOM 311 O ALA A 19 -2.338 -7.830 -0.073 1.00 0.00 O ATOM 312 CB ALA A 19 -2.550 -9.928 2.301 1.00 0.00 C ATOM 0 H ALA A 19 -0.367 -10.987 2.080 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.418 -10.370 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.457 -9.332 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.816 -10.951 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.921 -9.503 3.083 1.00 0.00 H new ATOM 318 N TRP A 20 -0.230 -8.021 0.718 1.00 0.00 N ATOM 319 CA TRP A 20 0.226 -6.682 0.284 1.00 0.00 C ATOM 320 C TRP A 20 0.705 -6.704 -1.186 1.00 0.00 C ATOM 321 O TRP A 20 0.502 -5.737 -1.927 1.00 0.00 O ATOM 322 CB TRP A 20 1.372 -6.177 1.218 1.00 0.00 C ATOM 323 CG TRP A 20 1.808 -4.746 0.946 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.858 -4.323 0.172 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.177 -3.552 1.433 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.895 -2.951 0.136 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.879 -2.458 0.907 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.081 -3.306 2.260 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.516 -1.142 1.181 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.275 -2.004 2.536 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.440 -0.932 1.997 1.00 0.00 C ATOM 0 H TRP A 20 0.486 -8.557 1.209 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.619 -5.997 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.043 -6.255 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.234 -6.835 1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.554 -4.974 -0.335 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.571 -2.390 -0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.482 -4.127 2.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.067 -0.313 0.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -1.120 -1.809 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.138 0.079 2.229 1.00 0.00 H new ATOM 342 N ASN A 21 1.354 -7.810 -1.581 1.00 0.00 N ATOM 343 CA ASN A 21 2.111 -7.908 -2.846 1.00 0.00 C ATOM 344 C ASN A 21 1.276 -8.500 -3.991 1.00 0.00 C ATOM 345 O ASN A 21 1.482 -8.121 -5.156 1.00 0.00 O ATOM 346 CB ASN A 21 3.389 -8.760 -2.621 1.00 0.00 C ATOM 347 CG ASN A 21 4.318 -8.847 -3.839 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.903 -9.893 -4.108 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.485 -7.745 -4.567 1.00 0.00 N ATOM 0 H ASN A 21 1.371 -8.669 -1.031 1.00 0.00 H new ATOM 0 HA ASN A 21 2.383 -6.895 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.947 -8.341 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.092 -9.769 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.112 -7.755 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.986 -6.890 -4.320 1.00 0.00 H new ATOM 356 N ASP A 22 0.357 -9.441 -3.677 1.00 0.00 N ATOM 357 CA ASP A 22 -0.427 -10.159 -4.709 1.00 0.00 C ATOM 358 C ASP A 22 -1.410 -9.190 -5.387 1.00 0.00 C ATOM 359 O ASP A 22 -2.267 -8.651 -4.695 1.00 0.00 O ATOM 360 CB ASP A 22 -1.229 -11.366 -4.129 1.00 0.00 C ATOM 361 CG ASP A 22 -0.355 -12.521 -3.608 1.00 0.00 C ATOM 362 OD1 ASP A 22 0.641 -12.888 -4.276 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.670 -13.085 -2.540 1.00 0.00 O ATOM 0 H ASP A 22 0.140 -9.721 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 22 0.290 -10.551 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.860 -11.009 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.893 -11.750 -4.903 1.00 0.00 H new ATOM 368 N PRO A 23 -1.318 -8.968 -6.746 1.00 0.00 N ATOM 369 CA PRO A 23 -2.287 -8.127 -7.510 1.00 0.00 C ATOM 370 C PRO A 23 -3.736 -8.633 -7.406 1.00 0.00 C ATOM 371 O PRO A 23 -4.669 -7.894 -7.701 1.00 0.00 O ATOM 372 CB PRO A 23 -1.759 -8.199 -8.967 1.00 0.00 C ATOM 373 CG PRO A 23 -0.312 -8.565 -8.830 1.00 0.00 C ATOM 374 CD PRO A 23 -0.255 -9.497 -7.645 1.00 0.00 C ATOM 0 HA PRO A 23 -2.338 -7.110 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.302 -8.944 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.879 -7.244 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.059 -9.051 -9.732 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.305 -7.681 -8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.450 -10.530 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.724 -9.480 -7.165 1.00 0.00 H new ATOM 382 N ASP A 24 -3.886 -9.908 -6.994 1.00 0.00 N ATOM 383 CA ASP A 24 -5.177 -10.522 -6.643 1.00 0.00 C ATOM 384 C ASP A 24 -5.808 -9.761 -5.461 1.00 0.00 C ATOM 385 O ASP A 24 -6.938 -9.265 -5.545 1.00 0.00 O ATOM 386 CB ASP A 24 -4.966 -12.006 -6.245 1.00 0.00 C ATOM 387 CG ASP A 24 -4.226 -12.814 -7.320 1.00 0.00 C ATOM 388 OD1 ASP A 24 -2.972 -12.871 -7.281 1.00 0.00 O ATOM 389 OD2 ASP A 24 -4.888 -13.395 -8.207 1.00 0.00 O ATOM 0 H ASP A 24 -3.098 -10.549 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.841 -10.472 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.403 -12.050 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.935 -12.467 -6.054 1.00 0.00 H new ATOM 394 N CYS A 25 -5.027 -9.657 -4.368 1.00 0.00 N ATOM 395 CA CYS A 25 -5.440 -8.972 -3.137 1.00 0.00 C ATOM 396 C CYS A 25 -5.550 -7.448 -3.374 1.00 0.00 C ATOM 397 O CYS A 25 -6.551 -6.836 -3.001 1.00 0.00 O ATOM 398 CB CYS A 25 -4.423 -9.278 -2.013 1.00 0.00 C ATOM 399 SG CYS A 25 -4.148 -11.035 -1.732 1.00 0.00 S ATOM 0 H CYS A 25 -4.087 -10.050 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.423 -9.336 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.472 -8.807 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.773 -8.823 -1.087 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.263 -11.295 -0.463 1.00 0.00 H new ATOM 405 N ILE A 26 -4.504 -6.875 -4.009 1.00 0.00 N ATOM 406 CA ILE A 26 -4.385 -5.426 -4.316 1.00 0.00 C ATOM 407 C ILE A 26 -5.600 -4.908 -5.108 1.00 0.00 C ATOM 408 O ILE A 26 -6.163 -3.861 -4.776 1.00 0.00 O ATOM 409 CB ILE A 26 -3.057 -5.120 -5.117 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.797 -5.494 -4.271 1.00 0.00 C ATOM 411 CG2 ILE A 26 -2.992 -3.642 -5.584 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.473 -5.330 -5.001 1.00 0.00 C ATOM 0 H ILE A 26 -3.701 -7.415 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.351 -4.903 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.066 -5.743 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.781 -4.875 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.890 -6.529 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.064 -3.474 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.840 -3.428 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.026 -2.984 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.345 -5.612 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.462 -5.970 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.352 -4.290 -5.305 1.00 0.00 H new ATOM 424 N ALA A 27 -6.043 -5.687 -6.114 1.00 0.00 N ATOM 425 CA ALA A 27 -7.212 -5.332 -6.958 1.00 0.00 C ATOM 426 C ALA A 27 -8.521 -5.219 -6.143 1.00 0.00 C ATOM 427 O ALA A 27 -9.544 -4.780 -6.678 1.00 0.00 O ATOM 428 CB ALA A 27 -7.384 -6.349 -8.099 1.00 0.00 C ATOM 0 H ALA A 27 -5.608 -6.574 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.008 -4.347 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.246 -6.072 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.488 -6.354 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.540 -7.343 -7.680 1.00 0.00 H new ATOM 434 N ARG A 28 -8.474 -5.605 -4.848 1.00 0.00 N ATOM 435 CA ARG A 28 -9.623 -5.591 -3.940 1.00 0.00 C ATOM 436 C ARG A 28 -9.492 -4.489 -2.847 1.00 0.00 C ATOM 437 O ARG A 28 -10.365 -3.615 -2.761 1.00 0.00 O ATOM 438 CB ARG A 28 -9.776 -7.004 -3.325 1.00 0.00 C ATOM 439 CG ARG A 28 -11.002 -7.177 -2.410 1.00 0.00 C ATOM 440 CD ARG A 28 -11.188 -8.627 -1.946 1.00 0.00 C ATOM 441 NE ARG A 28 -11.552 -9.525 -3.058 1.00 0.00 N ATOM 442 CZ ARG A 28 -11.181 -10.805 -3.176 1.00 0.00 C ATOM 443 NH1 ARG A 28 -10.415 -11.378 -2.253 1.00 0.00 N ATOM 444 NH2 ARG A 28 -11.590 -11.507 -4.220 1.00 0.00 N ATOM 0 H ARG A 28 -7.618 -5.939 -4.406 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.524 -5.340 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.837 -7.733 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.877 -7.236 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.895 -6.531 -1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.896 -6.851 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.266 -8.980 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.964 -8.665 -1.181 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.136 -9.138 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.104 -10.841 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.139 -12.355 -2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.183 -11.072 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.312 -12.483 -4.318 1.00 0.00 H new ATOM 458 N TRP A 29 -8.405 -4.504 -2.023 1.00 0.00 N ATOM 459 CA TRP A 29 -8.290 -3.587 -0.838 1.00 0.00 C ATOM 460 C TRP A 29 -7.745 -2.193 -1.202 1.00 0.00 C ATOM 461 O TRP A 29 -8.001 -1.225 -0.466 1.00 0.00 O ATOM 462 CB TRP A 29 -7.431 -4.206 0.323 1.00 0.00 C ATOM 463 CG TRP A 29 -5.995 -4.589 -0.030 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.545 -5.837 -0.337 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.827 -3.736 -0.076 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.210 -5.804 -0.628 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.743 -4.537 -0.461 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.594 -2.374 0.156 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.457 -4.036 -0.624 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.314 -1.871 -0.001 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.258 -2.702 -0.389 1.00 0.00 C ATOM 0 H TRP A 29 -7.607 -5.127 -2.149 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.313 -3.464 -0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.403 -3.492 1.146 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.942 -5.096 0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.157 -6.727 -0.349 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.651 -6.604 -0.924 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.404 -1.724 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.642 -4.677 -0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.128 -0.822 0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.269 -2.284 -0.505 1.00 0.00 H new ATOM 482 N ASN A 30 -6.975 -2.102 -2.314 1.00 0.00 N ATOM 483 CA ASN A 30 -6.198 -0.880 -2.654 1.00 0.00 C ATOM 484 C ASN A 30 -7.116 0.321 -2.943 1.00 0.00 C ATOM 485 O ASN A 30 -6.814 1.457 -2.544 1.00 0.00 O ATOM 486 CB ASN A 30 -5.217 -1.149 -3.825 1.00 0.00 C ATOM 487 CG ASN A 30 -4.209 -0.022 -4.100 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.783 0.162 -5.233 1.00 0.00 O ATOM 489 ND2 ASN A 30 -3.799 0.724 -3.076 1.00 0.00 N ATOM 0 H ASN A 30 -6.874 -2.858 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.603 -0.617 -1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.666 -2.065 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.796 -1.327 -4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.116 1.467 -3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.168 0.553 -2.140 1.00 0.00 H new ATOM 496 N ALA A 31 -8.230 0.073 -3.648 1.00 0.00 N ATOM 497 CA ALA A 31 -9.336 1.035 -3.717 1.00 0.00 C ATOM 498 C ALA A 31 -10.233 0.771 -2.499 1.00 0.00 C ATOM 499 O ALA A 31 -11.036 -0.173 -2.506 1.00 0.00 O ATOM 500 CB ALA A 31 -10.100 0.916 -5.044 1.00 0.00 C ATOM 0 H ALA A 31 -8.387 -0.785 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.965 2.059 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.912 1.642 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.420 1.110 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.510 -0.089 -5.139 1.00 0.00 H new ATOM 506 N ALA A 32 -10.007 1.568 -1.432 1.00 0.00 N ATOM 507 CA ALA A 32 -10.653 1.398 -0.123 1.00 0.00 C ATOM 508 C ALA A 32 -12.180 1.485 -0.243 1.00 0.00 C ATOM 509 O ALA A 32 -12.901 0.606 0.236 1.00 0.00 O ATOM 510 CB ALA A 32 -10.125 2.448 0.860 1.00 0.00 C ATOM 0 H ALA A 32 -9.361 2.357 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.409 0.406 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.608 2.316 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.047 2.331 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.343 3.446 0.479 1.00 0.00 H new ATOM 516 N SER A 33 -12.651 2.563 -0.885 1.00 0.00 N ATOM 517 CA SER A 33 -14.062 2.741 -1.240 1.00 0.00 C ATOM 518 C SER A 33 -14.502 1.649 -2.228 1.00 0.00 C ATOM 519 O SER A 33 -13.837 1.439 -3.245 1.00 0.00 O ATOM 520 CB SER A 33 -14.256 4.138 -1.864 1.00 0.00 C ATOM 521 OG SER A 33 -13.873 5.153 -0.947 1.00 0.00 O ATOM 0 H SER A 33 -12.057 3.341 -1.174 1.00 0.00 H new ATOM 0 HA SER A 33 -14.675 2.659 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.663 4.221 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.299 4.273 -2.149 1.00 0.00 H new ATOM 0 HG SER A 33 -14.001 6.032 -1.360 1.00 0.00 H new ATOM 527 N SER A 34 -15.615 0.963 -1.909 1.00 0.00 N ATOM 528 CA SER A 34 -16.177 -0.114 -2.755 1.00 0.00 C ATOM 529 C SER A 34 -16.831 0.445 -4.033 1.00 0.00 C ATOM 530 O SER A 34 -17.137 -0.310 -4.958 1.00 0.00 O ATOM 531 CB SER A 34 -17.189 -0.954 -1.948 1.00 0.00 C ATOM 532 OG SER A 34 -16.593 -1.468 -0.762 1.00 0.00 O ATOM 0 H SER A 34 -16.152 1.137 -1.059 1.00 0.00 H new ATOM 0 HA SER A 34 -15.353 -0.756 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.052 -0.341 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.555 -1.777 -2.562 1.00 0.00 H new ATOM 0 HG SER A 34 -17.254 -1.995 -0.266 1.00 0.00 H new ATOM 538 N ASP A 35 -17.037 1.775 -4.060 1.00 0.00 N ATOM 539 CA ASP A 35 -17.498 2.515 -5.257 1.00 0.00 C ATOM 540 C ASP A 35 -16.414 2.470 -6.338 1.00 0.00 C ATOM 541 O ASP A 35 -16.701 2.456 -7.531 1.00 0.00 O ATOM 542 CB ASP A 35 -17.808 3.993 -4.901 1.00 0.00 C ATOM 543 CG ASP A 35 -18.675 4.127 -3.647 1.00 0.00 C ATOM 544 OD1 ASP A 35 -19.921 4.050 -3.743 1.00 0.00 O ATOM 545 OD2 ASP A 35 -18.114 4.272 -2.544 1.00 0.00 O ATOM 0 H ASP A 35 -16.888 2.374 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.409 2.044 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.872 4.531 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.316 4.467 -5.741 1.00 0.00 H new ATOM 550 N TRP A 36 -15.161 2.416 -5.882 1.00 0.00 N ATOM 551 CA TRP A 36 -13.985 2.351 -6.745 1.00 0.00 C ATOM 552 C TRP A 36 -13.470 0.913 -6.749 1.00 0.00 C ATOM 553 O TRP A 36 -13.278 0.319 -5.690 1.00 0.00 O ATOM 554 CB TRP A 36 -12.888 3.330 -6.251 1.00 0.00 C ATOM 555 CG TRP A 36 -13.256 4.781 -6.466 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.069 5.562 -5.688 1.00 0.00 C ATOM 557 CD2 TRP A 36 -12.824 5.611 -7.552 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.165 6.821 -6.230 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.405 6.876 -7.370 1.00 0.00 C ATOM 560 CE3 TRP A 36 -11.995 5.401 -8.660 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.185 7.925 -8.255 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.779 6.444 -9.538 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.371 7.692 -9.329 1.00 0.00 C ATOM 0 H TRP A 36 -14.934 2.416 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.252 2.648 -7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.707 3.160 -5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -11.955 3.116 -6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.561 5.237 -4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.713 7.591 -5.846 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.532 4.439 -8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.641 8.891 -8.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.144 6.293 -10.398 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.182 8.490 -10.031 1.00 0.00 H new ATOM 574 N HIS A 37 -13.292 0.342 -7.938 1.00 0.00 N ATOM 575 CA HIS A 37 -12.756 -1.010 -8.107 1.00 0.00 C ATOM 576 C HIS A 37 -11.482 -0.908 -8.938 1.00 0.00 C ATOM 577 O HIS A 37 -11.517 -0.361 -10.049 1.00 0.00 O ATOM 578 CB HIS A 37 -13.793 -1.921 -8.818 1.00 0.00 C ATOM 579 CG HIS A 37 -15.124 -2.028 -8.112 1.00 0.00 C ATOM 580 ND1 HIS A 37 -15.456 -3.076 -7.288 1.00 0.00 N ATOM 581 CD2 HIS A 37 -16.213 -1.214 -8.127 1.00 0.00 C ATOM 582 CE1 HIS A 37 -16.680 -2.909 -6.832 1.00 0.00 C ATOM 583 NE2 HIS A 37 -17.161 -1.787 -7.323 1.00 0.00 N ATOM 0 H HIS A 37 -13.517 0.806 -8.818 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.539 -1.452 -7.135 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.961 -1.541 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -13.370 -2.920 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.312 -0.287 -8.672 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -17.202 -3.581 -6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.089 -1.406 -7.135 1.00 0.00 H new ATOM 592 N THR A 38 -10.352 -1.382 -8.386 1.00 0.00 N ATOM 593 CA THR A 38 -9.115 -1.509 -9.145 1.00 0.00 C ATOM 594 C THR A 38 -9.290 -2.677 -10.140 1.00 0.00 C ATOM 595 O THR A 38 -9.259 -3.850 -9.753 1.00 0.00 O ATOM 596 CB THR A 38 -7.875 -1.737 -8.212 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.838 -0.723 -7.191 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.546 -1.712 -8.994 1.00 0.00 C ATOM 0 H THR A 38 -10.279 -1.682 -7.414 1.00 0.00 H new ATOM 0 HA THR A 38 -8.919 -0.581 -9.682 1.00 0.00 H new ATOM 0 HB THR A 38 -7.985 -2.725 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.063 -0.872 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.716 -1.874 -8.306 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.552 -2.500 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.429 -0.744 -9.482 1.00 0.00 H new ATOM 606 N THR A 39 -9.497 -2.325 -11.416 1.00 0.00 N ATOM 607 CA THR A 39 -9.862 -3.282 -12.471 1.00 0.00 C ATOM 608 C THR A 39 -8.608 -3.985 -13.018 1.00 0.00 C ATOM 609 O THR A 39 -8.685 -5.125 -13.484 1.00 0.00 O ATOM 610 CB THR A 39 -10.602 -2.555 -13.635 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.765 -1.517 -14.155 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.951 -1.950 -13.199 1.00 0.00 C ATOM 0 H THR A 39 -9.416 -1.364 -11.748 1.00 0.00 H new ATOM 0 HA THR A 39 -10.527 -4.028 -12.036 1.00 0.00 H new ATOM 0 HB THR A 39 -10.813 -3.303 -14.399 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.228 -1.060 -14.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.421 -1.457 -14.050 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.604 -2.742 -12.833 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.784 -1.222 -12.405 1.00 0.00 H new ATOM 620 N GLY A 40 -7.461 -3.290 -12.931 1.00 0.00 N ATOM 621 CA GLY A 40 -6.173 -3.837 -13.331 1.00 0.00 C ATOM 622 C GLY A 40 -5.048 -3.254 -12.491 1.00 0.00 C ATOM 623 O GLY A 40 -4.802 -2.042 -12.546 1.00 0.00 O ATOM 0 H GLY A 40 -7.411 -2.334 -12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.186 -4.922 -13.225 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.994 -3.622 -14.384 1.00 0.00 H new ATOM 627 N SER A 41 -4.363 -4.111 -11.714 1.00 0.00 N ATOM 628 CA SER A 41 -3.218 -3.715 -10.883 1.00 0.00 C ATOM 629 C SER A 41 -1.992 -4.547 -11.286 1.00 0.00 C ATOM 630 O SER A 41 -1.906 -5.726 -10.958 1.00 0.00 O ATOM 631 CB SER A 41 -3.550 -3.871 -9.374 1.00 0.00 C ATOM 632 OG SER A 41 -4.059 -5.160 -9.069 1.00 0.00 O ATOM 0 H SER A 41 -4.591 -5.103 -11.646 1.00 0.00 H new ATOM 0 HA SER A 41 -2.993 -2.661 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.651 -3.688 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.280 -3.116 -9.084 1.00 0.00 H new ATOM 0 HG SER A 41 -3.555 -5.837 -9.567 1.00 0.00 H new ATOM 638 N ARG A 42 -1.077 -3.925 -12.039 1.00 0.00 N ATOM 639 CA ARG A 42 0.163 -4.563 -12.508 1.00 0.00 C ATOM 640 C ARG A 42 1.288 -4.234 -11.528 1.00 0.00 C ATOM 641 O ARG A 42 1.490 -3.062 -11.203 1.00 0.00 O ATOM 642 CB ARG A 42 0.521 -4.048 -13.927 1.00 0.00 C ATOM 643 CG ARG A 42 1.832 -4.620 -14.510 1.00 0.00 C ATOM 644 CD ARG A 42 2.210 -3.982 -15.859 1.00 0.00 C ATOM 645 NE ARG A 42 2.428 -2.521 -15.742 1.00 0.00 N ATOM 646 CZ ARG A 42 3.384 -1.825 -16.373 1.00 0.00 C ATOM 647 NH1 ARG A 42 4.244 -2.431 -17.190 1.00 0.00 N ATOM 648 NH2 ARG A 42 3.466 -0.520 -16.195 1.00 0.00 N ATOM 0 H ARG A 42 -1.175 -2.957 -12.344 1.00 0.00 H new ATOM 0 HA ARG A 42 0.026 -5.643 -12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.298 -4.291 -14.604 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.597 -2.961 -13.896 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.642 -4.461 -13.798 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.728 -5.697 -14.639 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.115 -4.454 -16.242 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.419 -4.173 -16.584 1.00 0.00 H new ATOM 0 HE ARG A 42 1.798 -2.002 -15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.180 -3.438 -17.342 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.966 -1.888 -17.663 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.804 -0.047 -15.580 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.191 0.015 -16.672 1.00 0.00 H new ATOM 662 N VAL A 43 1.994 -5.265 -11.038 1.00 0.00 N ATOM 663 CA VAL A 43 3.127 -5.100 -10.113 1.00 0.00 C ATOM 664 C VAL A 43 4.345 -5.866 -10.662 1.00 0.00 C ATOM 665 O VAL A 43 4.307 -7.096 -10.792 1.00 0.00 O ATOM 666 CB VAL A 43 2.785 -5.609 -8.654 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.983 -5.426 -7.690 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.517 -4.913 -8.100 1.00 0.00 C ATOM 0 H VAL A 43 1.795 -6.238 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 43 3.350 -4.035 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 43 2.579 -6.677 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.710 -5.787 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.838 -5.993 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.246 -4.370 -7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.308 -5.283 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.680 -3.836 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.670 -5.129 -8.751 1.00 0.00 H new ATOM 678 N ASP A 44 5.395 -5.113 -10.998 1.00 0.00 N ATOM 679 CA ASP A 44 6.716 -5.639 -11.359 1.00 0.00 C ATOM 680 C ASP A 44 7.601 -5.443 -10.125 1.00 0.00 C ATOM 681 O ASP A 44 8.223 -4.383 -9.963 1.00 0.00 O ATOM 682 CB ASP A 44 7.314 -4.884 -12.594 1.00 0.00 C ATOM 683 CG ASP A 44 6.478 -5.028 -13.882 1.00 0.00 C ATOM 684 OD1 ASP A 44 6.671 -6.018 -14.622 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.649 -4.140 -14.182 1.00 0.00 O ATOM 0 H ASP A 44 5.350 -4.094 -11.028 1.00 0.00 H new ATOM 0 HA ASP A 44 6.652 -6.689 -11.645 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.407 -3.826 -12.350 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.321 -5.257 -12.783 1.00 0.00 H new ATOM 690 N LEU A 45 7.587 -6.445 -9.217 1.00 0.00 N ATOM 691 CA LEU A 45 8.239 -6.351 -7.897 1.00 0.00 C ATOM 692 C LEU A 45 9.770 -6.520 -8.032 1.00 0.00 C ATOM 693 O LEU A 45 10.330 -7.589 -7.757 1.00 0.00 O ATOM 694 CB LEU A 45 7.661 -7.416 -6.919 1.00 0.00 C ATOM 695 CG LEU A 45 8.132 -7.285 -5.430 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.468 -6.072 -4.745 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.908 -8.601 -4.642 1.00 0.00 C ATOM 0 H LEU A 45 7.124 -7.339 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 45 8.035 -5.361 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.573 -7.356 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.935 -8.406 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 45 9.207 -7.105 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.812 -6.004 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.738 -5.160 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.385 -6.194 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.246 -8.472 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.847 -8.851 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.473 -9.407 -5.111 1.00 0.00 H new ATOM 709 N VAL A 46 10.420 -5.461 -8.522 1.00 0.00 N ATOM 710 CA VAL A 46 11.881 -5.386 -8.715 1.00 0.00 C ATOM 711 C VAL A 46 12.353 -3.958 -8.406 1.00 0.00 C ATOM 712 O VAL A 46 11.538 -3.027 -8.331 1.00 0.00 O ATOM 713 CB VAL A 46 12.315 -5.810 -10.179 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.251 -7.345 -10.373 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.458 -5.087 -11.243 1.00 0.00 C ATOM 0 H VAL A 46 9.938 -4.608 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 46 12.353 -6.092 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 46 13.353 -5.504 -10.311 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.556 -7.596 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.921 -7.830 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.231 -7.691 -10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.777 -5.396 -12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.408 -5.345 -11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.584 -4.009 -11.140 1.00 0.00 H new ATOM 725 N VAL A 47 13.672 -3.801 -8.222 1.00 0.00 N ATOM 726 CA VAL A 47 14.293 -2.521 -7.849 1.00 0.00 C ATOM 727 C VAL A 47 14.372 -1.611 -9.093 1.00 0.00 C ATOM 728 O VAL A 47 15.161 -1.859 -10.012 1.00 0.00 O ATOM 729 CB VAL A 47 15.721 -2.756 -7.229 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.363 -1.424 -6.773 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.647 -3.783 -6.070 1.00 0.00 C ATOM 0 H VAL A 47 14.342 -4.563 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 47 13.682 -2.031 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 47 16.366 -3.171 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.348 -1.621 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.463 -0.756 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.731 -0.955 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.643 -3.933 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.981 -3.407 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.265 -4.731 -6.448 1.00 0.00 H new ATOM 741 N GLY A 48 13.537 -0.572 -9.113 1.00 0.00 N ATOM 742 CA GLY A 48 13.323 0.248 -10.309 1.00 0.00 C ATOM 743 C GLY A 48 12.144 -0.260 -11.124 1.00 0.00 C ATOM 744 O GLY A 48 12.032 0.052 -12.313 1.00 0.00 O ATOM 0 H GLY A 48 12.991 -0.275 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.146 1.283 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.223 0.240 -10.924 1.00 0.00 H new ATOM 748 N GLY A 49 11.266 -1.048 -10.467 1.00 0.00 N ATOM 749 CA GLY A 49 10.113 -1.666 -11.112 1.00 0.00 C ATOM 750 C GLY A 49 8.931 -0.732 -11.303 1.00 0.00 C ATOM 751 O GLY A 49 9.027 0.468 -11.061 1.00 0.00 O ATOM 0 H GLY A 49 11.347 -1.267 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.418 -2.051 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.793 -2.521 -10.517 1.00 0.00 H new ATOM 755 N ARG A 50 7.808 -1.302 -11.736 1.00 0.00 N ATOM 756 CA ARG A 50 6.609 -0.547 -12.144 1.00 0.00 C ATOM 757 C ARG A 50 5.403 -1.065 -11.364 1.00 0.00 C ATOM 758 O ARG A 50 5.231 -2.271 -11.250 1.00 0.00 O ATOM 759 CB ARG A 50 6.338 -0.743 -13.672 1.00 0.00 C ATOM 760 CG ARG A 50 7.601 -0.736 -14.563 1.00 0.00 C ATOM 761 CD ARG A 50 7.295 -1.108 -16.024 1.00 0.00 C ATOM 762 NE ARG A 50 8.511 -1.504 -16.758 1.00 0.00 N ATOM 763 CZ ARG A 50 8.919 -2.769 -16.929 1.00 0.00 C ATOM 764 NH1 ARG A 50 8.221 -3.784 -16.410 1.00 0.00 N ATOM 765 NH2 ARG A 50 10.017 -3.014 -17.610 1.00 0.00 N ATOM 0 H ARG A 50 7.697 -2.313 -11.817 1.00 0.00 H new ATOM 0 HA ARG A 50 6.771 0.511 -11.939 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.815 -1.689 -13.815 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.667 0.046 -14.011 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.058 0.253 -14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.331 -1.437 -14.158 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.575 -1.926 -16.047 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.829 -0.259 -16.525 1.00 0.00 H new ATOM 0 HE ARG A 50 9.082 -0.763 -17.164 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.370 -3.599 -15.879 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.539 -4.744 -16.545 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.555 -2.243 -18.006 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.331 -3.975 -17.743 1.00 0.00 H new ATOM 779 N PHE A 51 4.576 -0.173 -10.828 1.00 0.00 N ATOM 780 CA PHE A 51 3.246 -0.541 -10.313 1.00 0.00 C ATOM 781 C PHE A 51 2.214 0.400 -10.930 1.00 0.00 C ATOM 782 O PHE A 51 2.478 1.589 -11.078 1.00 0.00 O ATOM 783 CB PHE A 51 3.207 -0.514 -8.757 1.00 0.00 C ATOM 784 CG PHE A 51 3.512 0.852 -8.120 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.823 1.233 -7.831 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.485 1.758 -7.822 1.00 0.00 C ATOM 787 CE1 PHE A 51 5.093 2.467 -7.274 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.761 2.994 -7.266 1.00 0.00 C ATOM 789 CZ PHE A 51 4.065 3.345 -6.993 1.00 0.00 C ATOM 0 H PHE A 51 4.798 0.818 -10.735 1.00 0.00 H new ATOM 0 HA PHE A 51 3.012 -1.567 -10.598 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.220 -0.838 -8.428 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.924 -1.242 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.636 0.555 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.461 1.486 -8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.113 2.747 -7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.957 3.681 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.284 4.309 -6.558 1.00 0.00 H new ATOM 799 N CYS A 52 1.063 -0.153 -11.332 1.00 0.00 N ATOM 800 CA CYS A 52 -0.037 0.603 -11.932 1.00 0.00 C ATOM 801 C CYS A 52 -1.349 0.102 -11.329 1.00 0.00 C ATOM 802 O CYS A 52 -1.646 -1.079 -11.441 1.00 0.00 O ATOM 803 CB CYS A 52 -0.032 0.395 -13.463 1.00 0.00 C ATOM 804 SG CYS A 52 1.538 0.801 -14.259 1.00 0.00 S ATOM 0 H CYS A 52 0.870 -1.151 -11.247 1.00 0.00 H new ATOM 0 HA CYS A 52 0.076 1.668 -11.729 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.278 -0.645 -13.678 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.819 1.006 -13.904 1.00 0.00 H new ATOM 0 HG CYS A 52 1.348 0.964 -15.535 1.00 0.00 H new ATOM 810 N HIS A 53 -2.099 0.973 -10.643 1.00 0.00 N ATOM 811 CA HIS A 53 -3.397 0.607 -10.044 1.00 0.00 C ATOM 812 C HIS A 53 -4.514 1.385 -10.747 1.00 0.00 C ATOM 813 O HIS A 53 -4.846 2.506 -10.354 1.00 0.00 O ATOM 814 CB HIS A 53 -3.393 0.892 -8.515 1.00 0.00 C ATOM 815 CG HIS A 53 -2.173 0.361 -7.799 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.989 -0.974 -7.504 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.058 0.992 -7.355 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.818 -1.133 -6.914 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.236 0.040 -6.812 1.00 0.00 N ATOM 0 H HIS A 53 -1.830 1.944 -10.486 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.571 -0.461 -10.178 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.457 1.968 -8.355 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.285 0.450 -8.070 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.855 2.051 -7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.407 -2.072 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.679 0.214 -6.396 1.00 0.00 H new ATOM 828 N HIS A 54 -5.047 0.797 -11.830 1.00 0.00 N ATOM 829 CA HIS A 54 -6.167 1.377 -12.587 1.00 0.00 C ATOM 830 C HIS A 54 -7.451 1.281 -11.737 1.00 0.00 C ATOM 831 O HIS A 54 -8.037 0.203 -11.631 1.00 0.00 O ATOM 832 CB HIS A 54 -6.374 0.627 -13.930 1.00 0.00 C ATOM 833 CG HIS A 54 -5.236 0.721 -14.918 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.261 -0.244 -15.038 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.955 1.641 -15.878 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.443 0.077 -16.021 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.841 1.211 -16.544 1.00 0.00 N ATOM 0 H HIS A 54 -4.714 -0.092 -12.204 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.940 2.420 -12.809 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.555 -0.426 -13.712 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.275 1.014 -14.405 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -4.184 -1.078 -14.456 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.510 2.546 -16.078 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.587 -0.499 -16.342 1.00 0.00 H new ATOM 846 N MET A 55 -7.850 2.403 -11.119 1.00 0.00 N ATOM 847 CA MET A 55 -9.051 2.465 -10.253 1.00 0.00 C ATOM 848 C MET A 55 -10.176 3.173 -11.009 1.00 0.00 C ATOM 849 O MET A 55 -10.002 4.307 -11.458 1.00 0.00 O ATOM 850 CB MET A 55 -8.762 3.209 -8.921 1.00 0.00 C ATOM 851 CG MET A 55 -7.714 2.542 -8.031 1.00 0.00 C ATOM 852 SD MET A 55 -7.523 3.409 -6.458 1.00 0.00 S ATOM 853 CE MET A 55 -6.128 2.551 -5.742 1.00 0.00 C ATOM 0 H MET A 55 -7.356 3.292 -11.201 1.00 0.00 H new ATOM 0 HA MET A 55 -9.346 1.446 -10.003 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.432 4.222 -9.151 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.693 3.296 -8.360 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.001 1.507 -7.844 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.757 2.518 -8.552 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.898 2.981 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.372 1.495 -5.624 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.263 2.653 -6.397 1.00 0.00 H new ATOM 863 N ALA A 56 -11.327 2.503 -11.129 1.00 0.00 N ATOM 864 CA ALA A 56 -12.490 2.996 -11.889 1.00 0.00 C ATOM 865 C ALA A 56 -13.696 3.120 -10.948 1.00 0.00 C ATOM 866 O ALA A 56 -13.777 2.393 -9.960 1.00 0.00 O ATOM 867 CB ALA A 56 -12.786 2.035 -13.052 1.00 0.00 C ATOM 0 H ALA A 56 -11.483 1.592 -10.698 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.278 3.980 -12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.646 2.399 -13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.918 1.981 -13.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.004 1.043 -12.657 1.00 0.00 H new ATOM 873 N ALA A 57 -14.626 4.040 -11.255 1.00 0.00 N ATOM 874 CA ALA A 57 -15.863 4.226 -10.463 1.00 0.00 C ATOM 875 C ALA A 57 -16.933 3.205 -10.897 1.00 0.00 C ATOM 876 O ALA A 57 -16.916 2.734 -12.044 1.00 0.00 O ATOM 877 CB ALA A 57 -16.376 5.668 -10.607 1.00 0.00 C ATOM 0 H ALA A 57 -14.547 4.673 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.640 4.053 -9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.286 5.791 -10.020 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.616 6.362 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.590 5.875 -11.655 1.00 0.00 H new ATOM 883 N LYS A 58 -17.862 2.873 -9.972 1.00 0.00 N ATOM 884 CA LYS A 58 -18.904 1.844 -10.204 1.00 0.00 C ATOM 885 C LYS A 58 -19.947 2.322 -11.238 1.00 0.00 C ATOM 886 O LYS A 58 -20.576 1.505 -11.918 1.00 0.00 O ATOM 887 CB LYS A 58 -19.595 1.425 -8.872 1.00 0.00 C ATOM 888 CG LYS A 58 -20.407 2.539 -8.178 1.00 0.00 C ATOM 889 CD LYS A 58 -21.214 2.039 -6.956 1.00 0.00 C ATOM 890 CE LYS A 58 -22.051 3.156 -6.307 1.00 0.00 C ATOM 891 NZ LYS A 58 -23.046 3.752 -7.246 1.00 0.00 N ATOM 0 H LYS A 58 -17.912 3.306 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.406 0.965 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.259 0.585 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.831 1.069 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.727 3.328 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -21.092 2.983 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.874 1.229 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.529 1.626 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.573 2.755 -5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.385 3.939 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.713 4.347 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.552 4.333 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.568 2.992 -7.727 1.00 0.00 H new ATOM 905 N ASP A 59 -20.116 3.655 -11.344 1.00 0.00 N ATOM 906 CA ASP A 59 -20.997 4.287 -12.356 1.00 0.00 C ATOM 907 C ASP A 59 -20.210 4.604 -13.645 1.00 0.00 C ATOM 908 O ASP A 59 -20.808 4.989 -14.658 1.00 0.00 O ATOM 909 CB ASP A 59 -21.622 5.591 -11.787 1.00 0.00 C ATOM 910 CG ASP A 59 -22.506 5.343 -10.551 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.696 4.983 -10.710 1.00 0.00 O ATOM 912 OD2 ASP A 59 -22.012 5.492 -9.411 1.00 0.00 O ATOM 0 H ASP A 59 -19.649 4.326 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.794 3.584 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.824 6.285 -11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.218 6.071 -12.563 1.00 0.00 H new ATOM 917 N GLY A 60 -18.863 4.446 -13.583 1.00 0.00 N ATOM 918 CA GLY A 60 -17.969 4.799 -14.696 1.00 0.00 C ATOM 919 C GLY A 60 -17.854 6.308 -14.903 1.00 0.00 C ATOM 920 O GLY A 60 -17.518 6.765 -15.998 1.00 0.00 O ATOM 0 H GLY A 60 -18.379 4.074 -12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.978 4.386 -14.506 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.337 4.338 -15.613 1.00 0.00 H new ATOM 924 N SER A 61 -18.148 7.065 -13.834 1.00 0.00 N ATOM 925 CA SER A 61 -18.180 8.531 -13.845 1.00 0.00 C ATOM 926 C SER A 61 -16.756 9.117 -13.852 1.00 0.00 C ATOM 927 O SER A 61 -16.449 10.036 -14.620 1.00 0.00 O ATOM 928 CB SER A 61 -18.976 9.006 -12.611 1.00 0.00 C ATOM 929 OG SER A 61 -18.488 8.390 -11.434 1.00 0.00 O ATOM 0 H SER A 61 -18.374 6.666 -12.923 1.00 0.00 H new ATOM 0 HA SER A 61 -18.668 8.884 -14.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.901 10.089 -12.518 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.032 8.770 -12.740 1.00 0.00 H new ATOM 0 HG SER A 61 -19.004 8.705 -10.662 1.00 0.00 H new ATOM 935 N ALA A 62 -15.896 8.557 -12.988 1.00 0.00 N ATOM 936 CA ALA A 62 -14.491 8.983 -12.837 1.00 0.00 C ATOM 937 C ALA A 62 -13.584 7.745 -12.782 1.00 0.00 C ATOM 938 O ALA A 62 -13.986 6.711 -12.253 1.00 0.00 O ATOM 939 CB ALA A 62 -14.337 9.852 -11.578 1.00 0.00 C ATOM 0 H ALA A 62 -16.155 7.789 -12.368 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.193 9.587 -13.694 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.297 10.162 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.971 10.734 -11.665 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.633 9.277 -10.701 1.00 0.00 H new ATOM 945 N GLY A 63 -12.366 7.853 -13.328 1.00 0.00 N ATOM 946 CA GLY A 63 -11.450 6.717 -13.421 1.00 0.00 C ATOM 947 C GLY A 63 -10.010 7.180 -13.557 1.00 0.00 C ATOM 948 O GLY A 63 -9.655 7.789 -14.571 1.00 0.00 O ATOM 0 H GLY A 63 -11.994 8.721 -13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.551 6.092 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.718 6.100 -14.278 1.00 0.00 H new ATOM 952 N PHE A 64 -9.183 6.905 -12.521 1.00 0.00 N ATOM 953 CA PHE A 64 -7.783 7.384 -12.432 1.00 0.00 C ATOM 954 C PHE A 64 -6.841 6.216 -12.077 1.00 0.00 C ATOM 955 O PHE A 64 -7.145 5.405 -11.192 1.00 0.00 O ATOM 956 CB PHE A 64 -7.660 8.512 -11.361 1.00 0.00 C ATOM 957 CG PHE A 64 -8.630 9.681 -11.578 1.00 0.00 C ATOM 958 CD1 PHE A 64 -9.916 9.653 -11.034 1.00 0.00 C ATOM 959 CD2 PHE A 64 -8.271 10.792 -12.339 1.00 0.00 C ATOM 960 CE1 PHE A 64 -10.803 10.691 -11.240 1.00 0.00 C ATOM 961 CE2 PHE A 64 -9.164 11.830 -12.548 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.429 11.781 -11.997 1.00 0.00 C ATOM 0 H PHE A 64 -9.469 6.342 -11.720 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.495 7.789 -13.402 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.837 8.084 -10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.639 8.894 -11.365 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.222 8.804 -10.441 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.283 10.844 -12.772 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.792 10.649 -10.807 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.870 12.681 -13.144 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.123 12.593 -12.158 1.00 0.00 H new ATOM 972 N ASP A 65 -5.707 6.141 -12.796 1.00 0.00 N ATOM 973 CA ASP A 65 -4.630 5.161 -12.540 1.00 0.00 C ATOM 974 C ASP A 65 -3.703 5.668 -11.430 1.00 0.00 C ATOM 975 O ASP A 65 -3.559 6.873 -11.239 1.00 0.00 O ATOM 976 CB ASP A 65 -3.805 4.909 -13.835 1.00 0.00 C ATOM 977 CG ASP A 65 -3.119 6.186 -14.373 1.00 0.00 C ATOM 978 OD1 ASP A 65 -3.805 7.008 -15.013 1.00 0.00 O ATOM 979 OD2 ASP A 65 -1.909 6.382 -14.132 1.00 0.00 O ATOM 0 H ASP A 65 -5.508 6.764 -13.579 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.088 4.224 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.046 4.153 -13.634 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.462 4.505 -14.605 1.00 0.00 H new ATOM 984 N PHE A 66 -3.089 4.737 -10.697 1.00 0.00 N ATOM 985 CA PHE A 66 -2.082 5.043 -9.668 1.00 0.00 C ATOM 986 C PHE A 66 -0.797 4.304 -10.029 1.00 0.00 C ATOM 987 O PHE A 66 -0.511 3.213 -9.529 1.00 0.00 O ATOM 988 CB PHE A 66 -2.611 4.695 -8.249 1.00 0.00 C ATOM 989 CG PHE A 66 -3.802 5.571 -7.850 1.00 0.00 C ATOM 990 CD1 PHE A 66 -5.102 5.259 -8.265 1.00 0.00 C ATOM 991 CD2 PHE A 66 -3.614 6.733 -7.108 1.00 0.00 C ATOM 992 CE1 PHE A 66 -6.166 6.079 -7.944 1.00 0.00 C ATOM 993 CE2 PHE A 66 -4.681 7.546 -6.781 1.00 0.00 C ATOM 994 CZ PHE A 66 -5.957 7.222 -7.201 1.00 0.00 C ATOM 0 H PHE A 66 -3.275 3.739 -10.799 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.869 6.112 -9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.906 3.646 -8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.809 4.821 -7.522 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.275 4.364 -8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.620 7.003 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.162 5.825 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.518 8.438 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.789 7.863 -6.948 1.00 0.00 H new ATOM 1004 N THR A 67 -0.089 4.886 -10.999 1.00 0.00 N ATOM 1005 CA THR A 67 1.166 4.354 -11.519 1.00 0.00 C ATOM 1006 C THR A 67 2.362 4.863 -10.695 1.00 0.00 C ATOM 1007 O THR A 67 2.194 5.716 -9.823 1.00 0.00 O ATOM 1008 CB THR A 67 1.331 4.742 -13.021 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.143 6.153 -13.189 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.327 4.005 -13.917 1.00 0.00 C ATOM 0 H THR A 67 -0.379 5.754 -11.450 1.00 0.00 H new ATOM 0 HA THR A 67 1.140 3.267 -11.437 1.00 0.00 H new ATOM 0 HB THR A 67 2.339 4.453 -13.317 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.229 6.327 -13.498 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.477 4.305 -14.954 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.478 2.929 -13.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.688 4.257 -13.610 1.00 0.00 H new ATOM 1018 N GLY A 68 3.555 4.296 -10.950 1.00 0.00 N ATOM 1019 CA GLY A 68 4.784 4.757 -10.312 1.00 0.00 C ATOM 1020 C GLY A 68 5.902 3.734 -10.378 1.00 0.00 C ATOM 1021 O GLY A 68 5.733 2.648 -10.940 1.00 0.00 O ATOM 0 H GLY A 68 3.686 3.517 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.113 5.679 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.578 4.996 -9.269 1.00 0.00 H new ATOM 1025 N THR A 69 7.043 4.079 -9.762 1.00 0.00 N ATOM 1026 CA THR A 69 8.282 3.294 -9.833 1.00 0.00 C ATOM 1027 C THR A 69 8.746 2.855 -8.426 1.00 0.00 C ATOM 1028 O THR A 69 8.858 3.696 -7.527 1.00 0.00 O ATOM 1029 CB THR A 69 9.402 4.156 -10.509 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.911 4.694 -11.752 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.684 3.345 -10.776 1.00 0.00 C ATOM 0 H THR A 69 7.131 4.922 -9.194 1.00 0.00 H new ATOM 0 HA THR A 69 8.090 2.398 -10.423 1.00 0.00 H new ATOM 0 HB THR A 69 9.657 4.960 -9.818 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.611 5.235 -12.174 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.430 3.987 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.076 2.963 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.455 2.510 -11.439 1.00 0.00 H new ATOM 1039 N PHE A 70 9.011 1.540 -8.246 1.00 0.00 N ATOM 1040 CA PHE A 70 9.643 1.002 -7.021 1.00 0.00 C ATOM 1041 C PHE A 70 11.093 1.508 -6.899 1.00 0.00 C ATOM 1042 O PHE A 70 11.855 1.426 -7.855 1.00 0.00 O ATOM 1043 CB PHE A 70 9.648 -0.548 -7.031 1.00 0.00 C ATOM 1044 CG PHE A 70 8.267 -1.198 -6.948 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.550 -1.179 -5.753 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.691 -1.826 -8.050 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.304 -1.766 -5.664 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.445 -2.417 -7.959 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.752 -2.386 -6.764 1.00 0.00 C ATOM 0 H PHE A 70 8.794 0.827 -8.942 1.00 0.00 H new ATOM 0 HA PHE A 70 9.059 1.350 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.140 -0.889 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.250 -0.900 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.975 -0.698 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.225 -1.851 -8.988 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.761 -1.739 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.013 -2.903 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.778 -2.847 -6.692 1.00 0.00 H new ATOM 1059 N THR A 71 11.464 2.028 -5.723 1.00 0.00 N ATOM 1060 CA THR A 71 12.823 2.537 -5.465 1.00 0.00 C ATOM 1061 C THR A 71 13.686 1.495 -4.723 1.00 0.00 C ATOM 1062 O THR A 71 14.864 1.313 -5.047 1.00 0.00 O ATOM 1063 CB THR A 71 12.752 3.877 -4.665 1.00 0.00 C ATOM 1064 OG1 THR A 71 11.898 3.714 -3.519 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.206 5.023 -5.541 1.00 0.00 C ATOM 0 H THR A 71 10.836 2.109 -4.924 1.00 0.00 H new ATOM 0 HA THR A 71 13.302 2.728 -6.425 1.00 0.00 H new ATOM 0 HB THR A 71 13.763 4.132 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.857 4.556 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.169 5.942 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.860 5.167 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.203 4.771 -5.886 1.00 0.00 H new ATOM 1073 N ARG A 72 13.092 0.793 -3.745 1.00 0.00 N ATOM 1074 CA ARG A 72 13.805 -0.213 -2.934 1.00 0.00 C ATOM 1075 C ARG A 72 12.858 -1.379 -2.625 1.00 0.00 C ATOM 1076 O ARG A 72 11.826 -1.187 -1.992 1.00 0.00 O ATOM 1077 CB ARG A 72 14.315 0.439 -1.619 1.00 0.00 C ATOM 1078 CG ARG A 72 15.230 -0.440 -0.730 1.00 0.00 C ATOM 1079 CD ARG A 72 15.627 0.284 0.580 1.00 0.00 C ATOM 1080 NE ARG A 72 16.110 1.657 0.325 1.00 0.00 N ATOM 1081 CZ ARG A 72 16.297 2.609 1.250 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.066 2.369 2.540 1.00 0.00 N ATOM 1083 NH2 ARG A 72 16.697 3.814 0.876 1.00 0.00 N ATOM 0 H ARG A 72 12.110 0.904 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 72 14.664 -0.592 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.858 1.349 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.450 0.740 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.717 -1.371 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.130 -0.706 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.768 0.320 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.404 -0.286 1.089 1.00 0.00 H new ATOM 0 HE ARG A 72 16.320 1.903 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.741 1.449 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.214 3.105 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.861 4.013 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.841 4.543 1.575 1.00 0.00 H new ATOM 1097 N VAL A 73 13.214 -2.586 -3.083 1.00 0.00 N ATOM 1098 CA VAL A 73 12.412 -3.804 -2.865 1.00 0.00 C ATOM 1099 C VAL A 73 13.216 -4.787 -2.009 1.00 0.00 C ATOM 1100 O VAL A 73 14.267 -5.270 -2.447 1.00 0.00 O ATOM 1101 CB VAL A 73 11.992 -4.479 -4.233 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.281 -5.841 -4.015 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.103 -3.515 -5.057 1.00 0.00 C ATOM 0 H VAL A 73 14.068 -2.749 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 73 11.494 -3.527 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 73 12.903 -4.683 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.010 -6.269 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.952 -6.522 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.380 -5.690 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.821 -3.992 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.205 -3.273 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.656 -2.600 -5.267 1.00 0.00 H new ATOM 1113 N GLU A 74 12.737 -5.035 -0.776 1.00 0.00 N ATOM 1114 CA GLU A 74 13.311 -6.040 0.123 1.00 0.00 C ATOM 1115 C GLU A 74 12.166 -6.798 0.816 1.00 0.00 C ATOM 1116 O GLU A 74 11.737 -6.434 1.920 1.00 0.00 O ATOM 1117 CB GLU A 74 14.274 -5.371 1.153 1.00 0.00 C ATOM 1118 CG GLU A 74 15.105 -6.368 1.998 1.00 0.00 C ATOM 1119 CD GLU A 74 16.039 -5.676 3.010 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.161 -5.275 2.629 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.644 -5.508 4.185 1.00 0.00 O ATOM 0 H GLU A 74 11.939 -4.540 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 74 13.906 -6.753 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.957 -4.711 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.688 -4.745 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.427 -7.032 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.701 -6.991 1.331 1.00 0.00 H new ATOM 1128 N ALA A 75 11.636 -7.814 0.116 1.00 0.00 N ATOM 1129 CA ALA A 75 10.572 -8.689 0.632 1.00 0.00 C ATOM 1130 C ALA A 75 11.122 -9.561 1.785 1.00 0.00 C ATOM 1131 O ALA A 75 12.260 -10.033 1.685 1.00 0.00 O ATOM 1132 CB ALA A 75 10.035 -9.589 -0.504 1.00 0.00 C ATOM 0 H ALA A 75 11.936 -8.052 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 75 9.756 -8.074 1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.247 -10.235 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.632 -8.966 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.846 -10.202 -0.897 1.00 0.00 H new ATOM 1138 N PRO A 76 10.357 -9.785 2.903 1.00 0.00 N ATOM 1139 CA PRO A 76 9.052 -9.140 3.198 1.00 0.00 C ATOM 1140 C PRO A 76 9.159 -7.957 4.196 1.00 0.00 C ATOM 1141 O PRO A 76 8.148 -7.530 4.759 1.00 0.00 O ATOM 1142 CB PRO A 76 8.293 -10.334 3.820 1.00 0.00 C ATOM 1143 CG PRO A 76 9.335 -11.096 4.605 1.00 0.00 C ATOM 1144 CD PRO A 76 10.688 -10.776 3.965 1.00 0.00 C ATOM 0 HA PRO A 76 8.583 -8.683 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.484 -9.993 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.844 -10.960 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.323 -10.799 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.136 -12.167 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.387 -10.363 4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.153 -11.669 3.547 1.00 0.00 H new ATOM 1152 N THR A 77 10.377 -7.414 4.365 1.00 0.00 N ATOM 1153 CA THR A 77 10.725 -6.530 5.486 1.00 0.00 C ATOM 1154 C THR A 77 10.415 -5.052 5.208 1.00 0.00 C ATOM 1155 O THR A 77 10.108 -4.302 6.142 1.00 0.00 O ATOM 1156 CB THR A 77 12.234 -6.719 5.853 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.023 -6.698 4.651 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.466 -8.051 6.598 1.00 0.00 C ATOM 0 H THR A 77 11.151 -7.579 3.722 1.00 0.00 H new ATOM 0 HA THR A 77 10.099 -6.816 6.331 1.00 0.00 H new ATOM 0 HB THR A 77 12.532 -5.903 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.853 -6.202 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.524 -8.153 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.881 -8.060 7.518 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.157 -8.881 5.963 1.00 0.00 H new ATOM 1166 N ARG A 78 10.481 -4.639 3.935 1.00 0.00 N ATOM 1167 CA ARG A 78 10.241 -3.242 3.540 1.00 0.00 C ATOM 1168 C ARG A 78 9.951 -3.146 2.034 1.00 0.00 C ATOM 1169 O ARG A 78 10.548 -3.878 1.231 1.00 0.00 O ATOM 1170 CB ARG A 78 11.466 -2.351 3.915 1.00 0.00 C ATOM 1171 CG ARG A 78 11.300 -0.837 3.610 1.00 0.00 C ATOM 1172 CD ARG A 78 12.562 -0.021 3.953 1.00 0.00 C ATOM 1173 NE ARG A 78 12.379 1.423 3.722 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.171 2.388 4.227 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.210 2.084 5.010 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.937 3.649 3.928 1.00 0.00 N ATOM 0 H ARG A 78 10.700 -5.258 3.154 1.00 0.00 H new ATOM 0 HA ARG A 78 9.368 -2.879 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.670 -2.471 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.341 -2.720 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.064 -0.707 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.454 -0.447 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.826 -0.188 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.397 -0.379 3.351 1.00 0.00 H new ATOM 0 HE ARG A 78 11.595 1.713 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.413 1.110 5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.801 2.826 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.158 3.892 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.535 4.383 4.309 1.00 0.00 H new ATOM 1190 N LEU A 79 9.054 -2.218 1.662 1.00 0.00 N ATOM 1191 CA LEU A 79 8.754 -1.910 0.264 1.00 0.00 C ATOM 1192 C LEU A 79 8.688 -0.392 0.091 1.00 0.00 C ATOM 1193 O LEU A 79 7.752 0.261 0.549 1.00 0.00 O ATOM 1194 CB LEU A 79 7.422 -2.559 -0.188 1.00 0.00 C ATOM 1195 CG LEU A 79 7.098 -2.413 -1.707 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.212 -3.037 -2.581 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.708 -3.004 -2.044 1.00 0.00 C ATOM 0 H LEU A 79 8.518 -1.662 2.328 1.00 0.00 H new ATOM 0 HA LEU A 79 9.546 -2.322 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.449 -3.620 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.607 -2.117 0.386 1.00 0.00 H new ATOM 0 HG LEU A 79 7.062 -1.348 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.957 -2.919 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.158 -2.535 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.307 -4.097 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.512 -2.887 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.691 -4.063 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.941 -2.479 -1.474 1.00 0.00 H new ATOM 1209 N SER A 80 9.679 0.143 -0.604 1.00 0.00 N ATOM 1210 CA SER A 80 9.815 1.572 -0.868 1.00 0.00 C ATOM 1211 C SER A 80 9.549 1.828 -2.354 1.00 0.00 C ATOM 1212 O SER A 80 10.055 1.098 -3.223 1.00 0.00 O ATOM 1213 CB SER A 80 11.223 2.042 -0.481 1.00 0.00 C ATOM 1214 OG SER A 80 11.530 1.724 0.874 1.00 0.00 O ATOM 0 H SER A 80 10.430 -0.415 -1.011 1.00 0.00 H new ATOM 0 HA SER A 80 9.094 2.132 -0.273 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.956 1.576 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.301 3.119 -0.629 1.00 0.00 H new ATOM 0 HG SER A 80 11.597 2.550 1.397 1.00 0.00 H new ATOM 1220 N PHE A 81 8.763 2.867 -2.629 1.00 0.00 N ATOM 1221 CA PHE A 81 8.312 3.209 -3.972 1.00 0.00 C ATOM 1222 C PHE A 81 7.801 4.656 -4.025 1.00 0.00 C ATOM 1223 O PHE A 81 7.334 5.204 -3.026 1.00 0.00 O ATOM 1224 CB PHE A 81 7.216 2.216 -4.455 1.00 0.00 C ATOM 1225 CG PHE A 81 5.999 2.050 -3.529 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.990 1.078 -2.527 1.00 0.00 C ATOM 1227 CD2 PHE A 81 4.861 2.846 -3.677 1.00 0.00 C ATOM 1228 CE1 PHE A 81 4.894 0.909 -1.704 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.760 2.673 -2.858 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.777 1.704 -1.872 1.00 0.00 C ATOM 0 H PHE A 81 8.417 3.504 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 81 9.164 3.128 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.862 2.545 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.677 1.238 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.856 0.447 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.840 3.608 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.910 0.156 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.887 3.295 -2.989 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.917 1.569 -1.233 1.00 0.00 H new ATOM 1240 N VAL A 82 7.884 5.235 -5.217 1.00 0.00 N ATOM 1241 CA VAL A 82 7.421 6.590 -5.539 1.00 0.00 C ATOM 1242 C VAL A 82 6.322 6.452 -6.598 1.00 0.00 C ATOM 1243 O VAL A 82 6.504 5.694 -7.545 1.00 0.00 O ATOM 1244 CB VAL A 82 8.623 7.458 -6.094 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.153 8.811 -6.673 1.00 0.00 C ATOM 1246 CG2 VAL A 82 9.704 7.673 -5.004 1.00 0.00 C ATOM 0 H VAL A 82 8.291 4.759 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 82 7.035 7.092 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 82 9.066 6.894 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.015 9.369 -7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.458 8.634 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.654 9.387 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.518 8.272 -5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.264 8.191 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.092 6.707 -4.680 1.00 0.00 H new ATOM 1256 N MET A 83 5.185 7.159 -6.450 1.00 0.00 N ATOM 1257 CA MET A 83 4.091 7.081 -7.448 1.00 0.00 C ATOM 1258 C MET A 83 4.297 8.161 -8.538 1.00 0.00 C ATOM 1259 O MET A 83 5.308 8.882 -8.521 1.00 0.00 O ATOM 1260 CB MET A 83 2.683 7.174 -6.777 1.00 0.00 C ATOM 1261 CG MET A 83 2.227 8.582 -6.375 1.00 0.00 C ATOM 1262 SD MET A 83 3.256 9.330 -5.119 1.00 0.00 S ATOM 1263 CE MET A 83 2.897 8.280 -3.716 1.00 0.00 C ATOM 0 H MET A 83 4.998 7.782 -5.664 1.00 0.00 H new ATOM 0 HA MET A 83 4.128 6.104 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.946 6.756 -7.463 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.683 6.545 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.223 9.221 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.200 8.534 -6.012 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.027 8.847 -2.794 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.869 7.925 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.576 7.427 -3.716 1.00 0.00 H new ATOM 1273 N ASP A 84 3.342 8.256 -9.482 1.00 0.00 N ATOM 1274 CA ASP A 84 3.416 9.170 -10.646 1.00 0.00 C ATOM 1275 C ASP A 84 3.417 10.647 -10.220 1.00 0.00 C ATOM 1276 O ASP A 84 3.967 11.500 -10.921 1.00 0.00 O ATOM 1277 CB ASP A 84 2.250 8.883 -11.625 1.00 0.00 C ATOM 1278 CG ASP A 84 2.268 9.797 -12.872 1.00 0.00 C ATOM 1279 OD1 ASP A 84 3.216 9.699 -13.686 1.00 0.00 O ATOM 1280 OD2 ASP A 84 1.359 10.641 -13.029 1.00 0.00 O ATOM 0 H ASP A 84 2.489 7.697 -9.461 1.00 0.00 H new ATOM 0 HA ASP A 84 4.362 8.983 -11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.299 7.842 -11.944 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.303 9.012 -11.101 1.00 0.00 H new ATOM 1285 N ASP A 85 2.843 10.931 -9.045 1.00 0.00 N ATOM 1286 CA ASP A 85 2.760 12.300 -8.487 1.00 0.00 C ATOM 1287 C ASP A 85 4.126 12.775 -7.955 1.00 0.00 C ATOM 1288 O ASP A 85 4.268 13.939 -7.586 1.00 0.00 O ATOM 1289 CB ASP A 85 1.707 12.346 -7.345 1.00 0.00 C ATOM 1290 CG ASP A 85 0.303 11.911 -7.799 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.117 10.704 -8.070 1.00 0.00 O ATOM 1292 OD2 ASP A 85 -0.616 12.762 -7.893 1.00 0.00 O ATOM 0 H ASP A 85 2.420 10.221 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 85 2.457 12.971 -9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.035 11.700 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.656 13.360 -6.947 1.00 0.00 H new ATOM 1297 N GLY A 86 5.116 11.853 -7.898 1.00 0.00 N ATOM 1298 CA GLY A 86 6.489 12.175 -7.473 1.00 0.00 C ATOM 1299 C GLY A 86 6.721 12.011 -5.975 1.00 0.00 C ATOM 1300 O GLY A 86 7.829 12.251 -5.490 1.00 0.00 O ATOM 0 H GLY A 86 4.982 10.872 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.187 11.534 -8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.716 13.203 -7.757 1.00 0.00 H new ATOM 1304 N ARG A 87 5.678 11.595 -5.240 1.00 0.00 N ATOM 1305 CA ARG A 87 5.715 11.491 -3.767 1.00 0.00 C ATOM 1306 C ARG A 87 6.257 10.110 -3.347 1.00 0.00 C ATOM 1307 O ARG A 87 5.985 9.105 -4.007 1.00 0.00 O ATOM 1308 CB ARG A 87 4.287 11.763 -3.193 1.00 0.00 C ATOM 1309 CG ARG A 87 3.596 12.971 -3.865 1.00 0.00 C ATOM 1310 CD ARG A 87 2.226 13.346 -3.273 1.00 0.00 C ATOM 1311 NE ARG A 87 1.582 14.445 -4.035 1.00 0.00 N ATOM 1312 CZ ARG A 87 1.784 15.763 -3.856 1.00 0.00 C ATOM 1313 NH1 ARG A 87 2.610 16.206 -2.915 1.00 0.00 N ATOM 1314 NH2 ARG A 87 1.150 16.635 -4.623 1.00 0.00 N ATOM 0 H ARG A 87 4.784 11.321 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 87 6.391 12.241 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.670 10.875 -3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.359 11.941 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.256 13.835 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.470 12.755 -4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.576 12.471 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.349 13.648 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 87 0.923 14.175 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.102 15.544 -2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.752 17.209 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.511 16.307 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.301 17.635 -4.490 1.00 0.00 H new ATOM 1328 N GLU A 88 7.040 10.085 -2.260 1.00 0.00 N ATOM 1329 CA GLU A 88 7.732 8.870 -1.779 1.00 0.00 C ATOM 1330 C GLU A 88 6.865 8.125 -0.754 1.00 0.00 C ATOM 1331 O GLU A 88 6.143 8.755 0.010 1.00 0.00 O ATOM 1332 CB GLU A 88 9.078 9.278 -1.135 1.00 0.00 C ATOM 1333 CG GLU A 88 9.975 10.154 -2.033 1.00 0.00 C ATOM 1334 CD GLU A 88 11.209 10.709 -1.302 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.047 11.634 -0.479 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.336 10.227 -1.537 1.00 0.00 O ATOM 0 H GLU A 88 7.215 10.908 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 88 7.913 8.203 -2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.875 9.816 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.626 8.375 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.303 9.567 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.387 10.985 -2.422 1.00 0.00 H new ATOM 1343 N VAL A 89 6.950 6.788 -0.745 1.00 0.00 N ATOM 1344 CA VAL A 89 6.239 5.907 0.208 1.00 0.00 C ATOM 1345 C VAL A 89 7.192 4.772 0.616 1.00 0.00 C ATOM 1346 O VAL A 89 7.742 4.100 -0.247 1.00 0.00 O ATOM 1347 CB VAL A 89 4.931 5.262 -0.405 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.207 4.369 0.628 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.975 6.331 -0.966 1.00 0.00 C ATOM 0 H VAL A 89 7.525 6.272 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 89 5.935 6.518 1.058 1.00 0.00 H new ATOM 0 HB VAL A 89 5.247 4.632 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.313 3.941 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.873 3.566 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.924 4.969 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.089 5.847 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.679 7.010 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.479 6.894 -1.752 1.00 0.00 H new ATOM 1359 N ASP A 90 7.376 4.565 1.916 1.00 0.00 N ATOM 1360 CA ASP A 90 8.237 3.511 2.459 1.00 0.00 C ATOM 1361 C ASP A 90 7.408 2.705 3.456 1.00 0.00 C ATOM 1362 O ASP A 90 7.128 3.175 4.566 1.00 0.00 O ATOM 1363 CB ASP A 90 9.484 4.123 3.162 1.00 0.00 C ATOM 1364 CG ASP A 90 10.336 5.021 2.242 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.003 6.212 2.088 1.00 0.00 O ATOM 1366 OD2 ASP A 90 11.331 4.541 1.664 1.00 0.00 O ATOM 0 H ASP A 90 6.926 5.131 2.635 1.00 0.00 H new ATOM 0 HA ASP A 90 8.598 2.870 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.155 4.707 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.107 3.315 3.545 1.00 0.00 H new ATOM 1371 N VAL A 91 7.008 1.503 3.047 1.00 0.00 N ATOM 1372 CA VAL A 91 6.190 0.601 3.857 1.00 0.00 C ATOM 1373 C VAL A 91 7.130 -0.306 4.659 1.00 0.00 C ATOM 1374 O VAL A 91 7.755 -1.213 4.112 1.00 0.00 O ATOM 1375 CB VAL A 91 5.204 -0.245 2.966 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.216 -1.059 3.840 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.454 0.666 1.962 1.00 0.00 C ATOM 0 H VAL A 91 7.246 1.122 2.131 1.00 0.00 H new ATOM 0 HA VAL A 91 5.568 1.184 4.536 1.00 0.00 H new ATOM 0 HB VAL A 91 5.794 -0.960 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.549 -1.632 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.774 -1.740 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.629 -0.378 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.778 0.062 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.880 1.415 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.175 1.164 1.314 1.00 0.00 H new ATOM 1387 N GLN A 92 7.224 -0.029 5.949 1.00 0.00 N ATOM 1388 CA GLN A 92 8.153 -0.667 6.874 1.00 0.00 C ATOM 1389 C GLN A 92 7.411 -1.744 7.668 1.00 0.00 C ATOM 1390 O GLN A 92 6.447 -1.446 8.368 1.00 0.00 O ATOM 1391 CB GLN A 92 8.717 0.413 7.838 1.00 0.00 C ATOM 1392 CG GLN A 92 9.651 -0.127 8.941 1.00 0.00 C ATOM 1393 CD GLN A 92 10.069 0.941 9.952 1.00 0.00 C ATOM 1394 OE1 GLN A 92 9.389 1.150 10.955 1.00 0.00 O ATOM 1395 NE2 GLN A 92 11.176 1.625 9.692 1.00 0.00 N ATOM 0 H GLN A 92 6.635 0.671 6.400 1.00 0.00 H new ATOM 0 HA GLN A 92 8.974 -1.131 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.261 1.154 7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.882 0.930 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.150 -0.940 9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.543 -0.549 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.714 1.423 8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.489 2.353 10.335 1.00 0.00 H new ATOM 1404 N PHE A 93 7.866 -2.985 7.561 1.00 0.00 N ATOM 1405 CA PHE A 93 7.319 -4.104 8.342 1.00 0.00 C ATOM 1406 C PHE A 93 8.309 -4.421 9.467 1.00 0.00 C ATOM 1407 O PHE A 93 9.480 -4.021 9.398 1.00 0.00 O ATOM 1408 CB PHE A 93 7.117 -5.351 7.442 1.00 0.00 C ATOM 1409 CG PHE A 93 6.236 -5.124 6.207 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.773 -4.601 5.029 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.879 -5.449 6.221 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.986 -4.406 3.911 1.00 0.00 C ATOM 1413 CE2 PHE A 93 4.091 -5.250 5.100 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.643 -4.733 3.945 1.00 0.00 C ATOM 0 H PHE A 93 8.624 -3.252 6.933 1.00 0.00 H new ATOM 0 HA PHE A 93 6.348 -3.831 8.754 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.094 -5.705 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.676 -6.146 8.043 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.821 -4.345 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.438 -5.861 7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.420 -3.998 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.041 -5.500 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.027 -4.584 3.070 1.00 0.00 H new ATOM 1424 N ALA A 94 7.836 -5.116 10.500 1.00 0.00 N ATOM 1425 CA ALA A 94 8.665 -5.525 11.637 1.00 0.00 C ATOM 1426 C ALA A 94 7.998 -6.695 12.345 1.00 0.00 C ATOM 1427 O ALA A 94 6.876 -6.561 12.836 1.00 0.00 O ATOM 1428 CB ALA A 94 8.889 -4.343 12.606 1.00 0.00 C ATOM 0 H ALA A 94 6.863 -5.413 10.574 1.00 0.00 H new ATOM 0 HA ALA A 94 9.644 -5.839 11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.507 -4.670 13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.391 -3.531 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.927 -3.993 12.981 1.00 0.00 H new ATOM 1434 N SER A 95 8.687 -7.844 12.379 1.00 0.00 N ATOM 1435 CA SER A 95 8.176 -9.060 13.015 1.00 0.00 C ATOM 1436 C SER A 95 8.068 -8.858 14.535 1.00 0.00 C ATOM 1437 O SER A 95 9.068 -8.601 15.221 1.00 0.00 O ATOM 1438 CB SER A 95 9.089 -10.259 12.678 1.00 0.00 C ATOM 1439 OG SER A 95 8.602 -11.468 13.250 1.00 0.00 O ATOM 0 H SER A 95 9.613 -7.954 11.966 1.00 0.00 H new ATOM 0 HA SER A 95 7.179 -9.273 12.630 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.159 -10.371 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.097 -10.063 13.044 1.00 0.00 H new ATOM 0 HG SER A 95 9.203 -12.206 13.015 1.00 0.00 H new ATOM 1445 N GLU A 96 6.847 -9.008 15.042 1.00 0.00 N ATOM 1446 CA GLU A 96 6.506 -8.802 16.460 1.00 0.00 C ATOM 1447 C GLU A 96 6.676 -10.118 17.233 1.00 0.00 C ATOM 1448 O GLU A 96 6.794 -11.181 16.611 1.00 0.00 O ATOM 1449 CB GLU A 96 5.039 -8.299 16.569 1.00 0.00 C ATOM 1450 CG GLU A 96 4.806 -6.885 16.023 1.00 0.00 C ATOM 1451 CD GLU A 96 5.603 -5.803 16.778 1.00 0.00 C ATOM 1452 OE1 GLU A 96 5.219 -5.449 17.914 1.00 0.00 O ATOM 1453 OE2 GLU A 96 6.609 -5.296 16.238 1.00 0.00 O ATOM 0 H GLU A 96 6.046 -9.282 14.473 1.00 0.00 H new ATOM 0 HA GLU A 96 7.173 -8.056 16.892 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.390 -8.992 16.034 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.737 -8.324 17.616 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.081 -6.860 14.969 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.743 -6.651 16.081 1.00 0.00 H new ATOM 1460 N PRO A 97 6.698 -10.086 18.605 1.00 0.00 N ATOM 1461 CA PRO A 97 6.663 -11.323 19.424 1.00 0.00 C ATOM 1462 C PRO A 97 5.408 -12.193 19.189 1.00 0.00 C ATOM 1463 O PRO A 97 5.393 -13.372 19.556 1.00 0.00 O ATOM 1464 CB PRO A 97 6.742 -10.800 20.881 1.00 0.00 C ATOM 1465 CG PRO A 97 7.350 -9.426 20.778 1.00 0.00 C ATOM 1466 CD PRO A 97 6.853 -8.868 19.463 1.00 0.00 C ATOM 0 HA PRO A 97 7.480 -11.996 19.163 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.753 -10.759 21.338 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.354 -11.455 21.501 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.044 -8.797 21.613 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.439 -9.475 20.798 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.908 -8.338 19.583 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.562 -8.161 19.033 1.00 0.00 H new ATOM 1474 N GLY A 98 4.370 -11.609 18.571 1.00 0.00 N ATOM 1475 CA GLY A 98 3.168 -12.349 18.199 1.00 0.00 C ATOM 1476 C GLY A 98 2.451 -11.714 17.027 1.00 0.00 C ATOM 1477 O GLY A 98 1.243 -11.444 17.102 1.00 0.00 O ATOM 0 H GLY A 98 4.345 -10.621 18.320 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.437 -13.375 17.947 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.493 -12.398 19.054 1.00 0.00 H new ATOM 1481 N GLY A 99 3.211 -11.414 15.964 1.00 0.00 N ATOM 1482 CA GLY A 99 2.611 -10.948 14.699 1.00 0.00 C ATOM 1483 C GLY A 99 3.586 -10.152 13.843 1.00 0.00 C ATOM 1484 O GLY A 99 4.750 -10.535 13.726 1.00 0.00 O ATOM 0 H GLY A 99 4.229 -11.483 15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.255 -11.808 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.741 -10.330 14.921 1.00 0.00 H new ATOM 1488 N THR A 100 3.094 -9.070 13.207 1.00 0.00 N ATOM 1489 CA THR A 100 3.906 -8.121 12.437 1.00 0.00 C ATOM 1490 C THR A 100 3.288 -6.714 12.512 1.00 0.00 C ATOM 1491 O THR A 100 2.094 -6.519 12.234 1.00 0.00 O ATOM 1492 CB THR A 100 4.044 -8.551 10.940 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.705 -9.818 10.883 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.821 -7.528 10.080 1.00 0.00 C ATOM 0 H THR A 100 2.102 -8.832 13.218 1.00 0.00 H new ATOM 0 HA THR A 100 4.903 -8.113 12.878 1.00 0.00 H new ATOM 0 HB THR A 100 3.038 -8.609 10.525 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.044 -10.536 10.974 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.881 -7.887 9.053 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.304 -6.569 10.100 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.827 -7.406 10.481 1.00 0.00 H new ATOM 1502 N TRP A 101 4.123 -5.756 12.909 1.00 0.00 N ATOM 1503 CA TRP A 101 3.815 -4.334 12.856 1.00 0.00 C ATOM 1504 C TRP A 101 4.165 -3.797 11.456 1.00 0.00 C ATOM 1505 O TRP A 101 5.238 -4.080 10.925 1.00 0.00 O ATOM 1506 CB TRP A 101 4.626 -3.605 13.950 1.00 0.00 C ATOM 1507 CG TRP A 101 4.532 -2.103 13.911 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.406 -1.342 14.047 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.616 -1.184 13.731 1.00 0.00 C ATOM 1510 NE1 TRP A 101 3.731 -0.020 13.945 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.077 0.102 13.763 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.993 -1.330 13.547 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 5.858 1.240 13.622 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 7.774 -0.203 13.407 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.206 1.072 13.446 1.00 0.00 C ATOM 0 H TRP A 101 5.051 -5.954 13.284 1.00 0.00 H new ATOM 0 HA TRP A 101 2.754 -4.162 13.037 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.286 -3.951 14.926 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.674 -3.892 13.858 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.410 -1.727 14.210 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.070 0.755 13.997 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.440 -2.313 13.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.418 2.226 13.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.840 -0.307 13.265 1.00 0.00 H new ATOM 0 HH2 TRP A 101 7.840 1.940 13.336 1.00 0.00 H new ATOM 1526 N VAL A 102 3.238 -3.037 10.881 1.00 0.00 N ATOM 1527 CA VAL A 102 3.377 -2.387 9.568 1.00 0.00 C ATOM 1528 C VAL A 102 3.356 -0.869 9.801 1.00 0.00 C ATOM 1529 O VAL A 102 2.687 -0.399 10.725 1.00 0.00 O ATOM 1530 CB VAL A 102 2.200 -2.804 8.589 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.394 -2.215 7.168 1.00 0.00 C ATOM 1532 CG2 VAL A 102 2.033 -4.345 8.546 1.00 0.00 C ATOM 0 H VAL A 102 2.339 -2.846 11.324 1.00 0.00 H new ATOM 0 HA VAL A 102 4.310 -2.699 9.099 1.00 0.00 H new ATOM 0 HB VAL A 102 1.279 -2.378 8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.566 -2.525 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.420 -1.127 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.332 -2.579 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.220 -4.604 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.958 -4.802 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.803 -4.714 9.546 1.00 0.00 H new ATOM 1542 N GLN A 103 4.108 -0.115 8.994 1.00 0.00 N ATOM 1543 CA GLN A 103 4.119 1.343 9.056 1.00 0.00 C ATOM 1544 C GLN A 103 4.382 1.914 7.658 1.00 0.00 C ATOM 1545 O GLN A 103 5.526 1.923 7.195 1.00 0.00 O ATOM 1546 CB GLN A 103 5.195 1.851 10.058 1.00 0.00 C ATOM 1547 CG GLN A 103 5.158 3.379 10.286 1.00 0.00 C ATOM 1548 CD GLN A 103 6.355 3.915 11.073 1.00 0.00 C ATOM 1549 OE1 GLN A 103 6.303 4.049 12.295 1.00 0.00 O ATOM 1550 NE2 GLN A 103 7.457 4.182 10.384 1.00 0.00 N ATOM 0 H GLN A 103 4.725 -0.502 8.280 1.00 0.00 H new ATOM 0 HA GLN A 103 3.146 1.684 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.056 1.346 11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.182 1.571 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.117 3.880 9.319 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.241 3.636 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.467 4.060 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 103 8.294 4.509 10.867 1.00 0.00 H new ATOM 1559 N GLU A 104 3.335 2.426 7.003 1.00 0.00 N ATOM 1560 CA GLU A 104 3.459 3.063 5.689 1.00 0.00 C ATOM 1561 C GLU A 104 3.785 4.557 5.901 1.00 0.00 C ATOM 1562 O GLU A 104 2.925 5.356 6.263 1.00 0.00 O ATOM 1563 CB GLU A 104 2.160 2.853 4.864 1.00 0.00 C ATOM 1564 CG GLU A 104 2.154 3.555 3.488 1.00 0.00 C ATOM 1565 CD GLU A 104 0.877 3.296 2.668 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.152 3.944 2.953 1.00 0.00 O ATOM 1567 OE2 GLU A 104 0.896 2.440 1.749 1.00 0.00 O ATOM 0 H GLU A 104 2.382 2.411 7.367 1.00 0.00 H new ATOM 0 HA GLU A 104 4.268 2.610 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.010 1.784 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.313 3.215 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.268 4.629 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.018 3.219 2.915 1.00 0.00 H new ATOM 1574 N THR A 105 5.055 4.910 5.740 1.00 0.00 N ATOM 1575 CA THR A 105 5.513 6.295 5.857 1.00 0.00 C ATOM 1576 C THR A 105 5.493 6.908 4.458 1.00 0.00 C ATOM 1577 O THR A 105 6.331 6.572 3.633 1.00 0.00 O ATOM 1578 CB THR A 105 6.944 6.374 6.485 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.952 5.633 7.717 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.366 7.834 6.751 1.00 0.00 C ATOM 0 H THR A 105 5.799 4.246 5.525 1.00 0.00 H new ATOM 0 HA THR A 105 4.853 6.850 6.524 1.00 0.00 H new ATOM 0 HB THR A 105 7.657 5.947 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.846 5.671 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.365 7.850 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.371 8.388 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.661 8.296 7.442 1.00 0.00 H new ATOM 1588 N PHE A 106 4.551 7.811 4.197 1.00 0.00 N ATOM 1589 CA PHE A 106 4.313 8.361 2.850 1.00 0.00 C ATOM 1590 C PHE A 106 4.502 9.869 2.893 1.00 0.00 C ATOM 1591 O PHE A 106 4.369 10.480 3.953 1.00 0.00 O ATOM 1592 CB PHE A 106 2.893 7.989 2.336 1.00 0.00 C ATOM 1593 CG PHE A 106 1.727 8.472 3.213 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.284 7.712 4.294 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.076 9.687 2.953 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.234 8.143 5.082 1.00 0.00 C ATOM 1597 CE2 PHE A 106 0.024 10.111 3.743 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.396 9.339 4.808 1.00 0.00 C ATOM 0 H PHE A 106 3.926 8.188 4.910 1.00 0.00 H new ATOM 0 HA PHE A 106 5.029 7.928 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.768 8.402 1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.831 6.905 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.768 6.773 4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.401 10.299 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.095 7.541 5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.470 11.047 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.217 9.671 5.426 1.00 0.00 H new ATOM 1608 N ASP A 107 4.802 10.467 1.741 1.00 0.00 N ATOM 1609 CA ASP A 107 5.022 11.910 1.642 1.00 0.00 C ATOM 1610 C ASP A 107 3.659 12.554 1.340 1.00 0.00 C ATOM 1611 O ASP A 107 2.974 12.145 0.387 1.00 0.00 O ATOM 1612 CB ASP A 107 6.093 12.248 0.556 1.00 0.00 C ATOM 1613 CG ASP A 107 6.871 13.564 0.842 1.00 0.00 C ATOM 1614 OD1 ASP A 107 6.245 14.633 1.006 1.00 0.00 O ATOM 1615 OD2 ASP A 107 8.120 13.539 0.909 1.00 0.00 O ATOM 0 H ASP A 107 4.899 9.970 0.856 1.00 0.00 H new ATOM 0 HA ASP A 107 5.420 12.308 2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.802 11.423 0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.603 12.328 -0.414 1.00 0.00 H new ATOM 1620 N ALA A 108 3.289 13.549 2.161 1.00 0.00 N ATOM 1621 CA ALA A 108 1.946 14.142 2.201 1.00 0.00 C ATOM 1622 C ALA A 108 1.574 14.831 0.877 1.00 0.00 C ATOM 1623 O ALA A 108 2.357 15.619 0.333 1.00 0.00 O ATOM 1624 CB ALA A 108 1.864 15.146 3.365 1.00 0.00 C ATOM 0 H ALA A 108 3.931 13.972 2.831 1.00 0.00 H new ATOM 0 HA ALA A 108 1.229 13.336 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.868 15.587 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.062 14.630 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.604 15.933 3.220 1.00 0.00 H new ATOM 1630 N GLU A 109 0.361 14.526 0.387 1.00 0.00 N ATOM 1631 CA GLU A 109 -0.191 15.120 -0.843 1.00 0.00 C ATOM 1632 C GLU A 109 -0.659 16.563 -0.551 1.00 0.00 C ATOM 1633 O GLU A 109 -0.899 16.911 0.617 1.00 0.00 O ATOM 1634 CB GLU A 109 -1.371 14.246 -1.361 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.069 12.733 -1.423 1.00 0.00 C ATOM 1636 CD GLU A 109 -2.292 11.883 -1.815 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -3.215 11.745 -0.983 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -2.334 11.342 -2.945 1.00 0.00 O ATOM 0 H GLU A 109 -0.267 13.858 0.834 1.00 0.00 H new ATOM 0 HA GLU A 109 0.576 15.154 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.235 14.405 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.650 14.589 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.269 12.559 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.702 12.403 -0.451 1.00 0.00 H new ATOM 1688 N THR A 113 -5.420 18.071 3.757 1.00 0.00 N ATOM 1689 CA THR A 113 -4.567 18.283 4.934 1.00 0.00 C ATOM 1690 C THR A 113 -3.950 16.942 5.394 1.00 0.00 C ATOM 1691 O THR A 113 -4.561 15.891 5.169 1.00 0.00 O ATOM 1692 CB THR A 113 -5.372 18.927 6.107 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.430 18.050 6.512 1.00 0.00 O ATOM 1694 CG2 THR A 113 -5.951 20.302 5.723 1.00 0.00 C ATOM 0 HA THR A 113 -3.769 18.969 4.651 1.00 0.00 H new ATOM 0 HB THR A 113 -4.681 19.079 6.936 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.930 18.459 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.503 20.713 6.568 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.138 20.978 5.457 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.622 20.189 4.872 1.00 0.00 H new ATOM 1702 N PRO A 114 -2.727 16.958 6.028 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.070 15.751 6.597 1.00 0.00 C ATOM 1704 C PRO A 114 -3.000 14.852 7.439 1.00 0.00 C ATOM 1705 O PRO A 114 -2.903 13.633 7.359 1.00 0.00 O ATOM 1706 CB PRO A 114 -0.941 16.349 7.465 1.00 0.00 C ATOM 1707 CG PRO A 114 -0.557 17.602 6.747 1.00 0.00 C ATOM 1708 CD PRO A 114 -1.856 18.159 6.202 1.00 0.00 C ATOM 0 HA PRO A 114 -1.729 15.081 5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.285 16.559 8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.098 15.664 7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.076 18.311 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 114 0.151 17.395 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.301 18.877 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.701 18.678 5.256 1.00 0.00 H new ATOM 1716 N ALA A 115 -3.897 15.478 8.233 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.890 14.764 9.071 1.00 0.00 C ATOM 1718 C ALA A 115 -5.894 13.945 8.222 1.00 0.00 C ATOM 1719 O ALA A 115 -6.161 12.773 8.522 1.00 0.00 O ATOM 1720 CB ALA A 115 -5.634 15.768 9.971 1.00 0.00 C ATOM 0 H ALA A 115 -3.954 16.493 8.312 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.347 14.052 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.362 15.237 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.919 16.277 10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.149 16.501 9.350 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.422 14.572 7.149 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.415 13.934 6.250 1.00 0.00 C ATOM 1728 C GLN A 116 -6.768 12.788 5.450 1.00 0.00 C ATOM 1729 O GLN A 116 -7.344 11.708 5.310 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.029 14.986 5.285 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.827 16.101 5.993 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.349 17.190 5.048 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -8.729 17.505 4.031 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -10.468 17.802 5.392 1.00 0.00 N ATOM 0 H GLN A 116 -6.177 15.525 6.881 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.213 13.517 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.227 15.441 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.685 14.477 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.672 15.653 6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.193 16.564 6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.963 17.522 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -10.837 18.554 4.810 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.549 13.042 4.953 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.791 12.088 4.115 1.00 0.00 C ATOM 1745 C GLN A 117 -4.225 10.947 4.954 1.00 0.00 C ATOM 1746 O GLN A 117 -4.035 9.844 4.452 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.661 12.832 3.373 1.00 0.00 C ATOM 1748 CG GLN A 117 -4.196 13.964 2.483 1.00 0.00 C ATOM 1749 CD GLN A 117 -3.134 14.865 1.882 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -3.332 15.406 0.800 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.030 15.095 2.594 1.00 0.00 N ATOM 0 H GLN A 117 -5.054 13.918 5.119 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.471 11.652 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.961 13.244 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.103 12.124 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.778 13.524 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.879 14.576 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -1.895 14.629 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.320 15.737 2.241 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.968 11.216 6.242 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.586 10.168 7.199 1.00 0.00 C ATOM 1762 C GLN A 118 -4.749 9.181 7.343 1.00 0.00 C ATOM 1763 O GLN A 118 -4.543 7.978 7.294 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.209 10.774 8.571 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.689 9.745 9.596 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.264 10.337 10.937 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.331 9.850 11.575 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -2.959 11.367 11.400 1.00 0.00 N ATOM 0 H GLN A 118 -4.018 12.152 6.645 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.706 9.645 6.824 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.446 11.538 8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.083 11.274 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.468 9.003 9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.840 9.218 9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.728 11.752 10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.725 11.775 12.305 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.973 9.726 7.450 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.210 8.921 7.509 1.00 0.00 C ATOM 1779 C ALA A 119 -7.490 8.212 6.160 1.00 0.00 C ATOM 1780 O ALA A 119 -8.109 7.149 6.142 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.408 9.801 7.910 1.00 0.00 C ATOM 0 H ALA A 119 -6.135 10.732 7.498 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.068 8.152 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.311 9.191 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.225 10.240 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.538 10.596 7.175 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.010 8.803 5.048 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.250 8.266 3.703 1.00 0.00 C ATOM 1789 C GLY A 120 -6.382 7.054 3.384 1.00 0.00 C ATOM 1790 O GLY A 120 -6.903 5.963 3.111 1.00 0.00 O ATOM 0 H GLY A 120 -6.452 9.656 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.300 7.989 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.060 9.047 2.966 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.052 7.255 3.438 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.055 6.193 3.203 1.00 0.00 C ATOM 1796 C TRP A 121 -4.162 5.081 4.266 1.00 0.00 C ATOM 1797 O TRP A 121 -4.065 3.893 3.938 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.620 6.767 3.211 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.277 7.709 2.071 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.781 8.957 1.841 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.306 7.487 1.042 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.193 9.511 0.743 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.287 8.632 0.230 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.457 6.425 0.726 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.450 8.750 -0.870 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.376 6.542 -0.368 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.373 7.696 -1.154 1.00 0.00 C ATOM 0 H TRP A 121 -4.637 8.163 3.647 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.266 5.768 2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.466 7.295 4.152 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.916 5.935 3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.538 9.437 2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.398 10.436 0.366 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.452 5.528 1.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.449 9.642 -1.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 1.040 5.729 -0.620 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.035 7.757 -2.005 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.364 5.474 5.552 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.543 4.502 6.660 1.00 0.00 C ATOM 1820 C GLN A 122 -5.952 3.903 6.620 1.00 0.00 C ATOM 1821 O GLN A 122 -6.197 2.877 7.233 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.216 5.115 8.051 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.397 4.161 9.252 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.659 4.595 10.518 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -4.169 5.383 11.308 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -2.467 4.064 10.723 1.00 0.00 N ATOM 0 H GLN A 122 -4.406 6.450 5.844 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.823 3.698 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -3.185 5.468 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.850 5.988 8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.460 4.076 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.051 3.167 8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -2.075 3.412 10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.938 4.306 11.561 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.872 4.551 5.887 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.138 3.921 5.521 1.00 0.00 C ATOM 1837 C GLY A 123 -7.894 2.680 4.666 1.00 0.00 C ATOM 1838 O GLY A 123 -8.376 1.600 4.992 1.00 0.00 O ATOM 0 H GLY A 123 -6.759 5.504 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.687 3.646 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.758 4.630 4.973 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.037 2.844 3.632 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.651 1.768 2.692 1.00 0.00 C ATOM 1844 C ILE A 124 -5.825 0.678 3.416 1.00 0.00 C ATOM 1845 O ILE A 124 -6.022 -0.524 3.181 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.826 2.353 1.481 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.625 3.501 0.778 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -5.431 1.246 0.476 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.945 4.128 -0.426 1.00 0.00 C ATOM 0 H ILE A 124 -6.590 3.737 3.425 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.565 1.316 2.307 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.901 2.773 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.592 3.107 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.823 4.284 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.864 1.685 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.819 0.498 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.331 0.773 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.582 4.911 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.991 4.559 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.772 3.365 -1.185 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.927 1.124 4.313 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.062 0.241 5.119 1.00 0.00 C ATOM 1863 C LEU A 125 -4.901 -0.529 6.174 1.00 0.00 C ATOM 1864 O LEU A 125 -4.557 -1.651 6.548 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.933 1.077 5.798 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.908 0.284 6.682 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.116 -0.760 5.859 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.961 1.243 7.441 1.00 0.00 C ATOM 0 H LEU A 125 -4.779 2.116 4.501 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.597 -0.495 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.378 1.598 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.401 1.840 6.420 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.485 -0.269 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.419 -1.285 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.809 -1.476 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.562 -0.255 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.263 0.663 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.405 1.848 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.546 1.895 8.090 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.994 0.106 6.655 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.965 -0.518 7.592 1.00 0.00 C ATOM 1882 C ASP A 126 -7.902 -1.500 6.866 1.00 0.00 C ATOM 1883 O ASP A 126 -8.345 -2.479 7.469 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.785 0.571 8.335 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.743 0.020 9.406 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.273 -0.345 10.506 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.964 -0.056 9.148 1.00 0.00 O ATOM 0 H ASP A 126 -6.231 1.066 6.406 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.395 -1.087 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.095 1.271 8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.362 1.137 7.604 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.201 -1.241 5.575 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.965 -2.199 4.731 1.00 0.00 C ATOM 1894 C ASN A 127 -8.092 -3.423 4.433 1.00 0.00 C ATOM 1895 O ASN A 127 -8.581 -4.555 4.406 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.460 -1.563 3.400 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.665 -0.628 3.584 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.806 -1.080 3.678 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.446 0.663 3.569 1.00 0.00 N ATOM 0 H ASN A 127 -7.929 -0.384 5.093 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.853 -2.494 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.642 -1.004 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.728 -2.357 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.229 1.314 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.493 1.018 3.490 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.792 -3.160 4.222 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.762 -4.190 4.068 1.00 0.00 C ATOM 1908 C PHE A 128 -5.693 -5.055 5.342 1.00 0.00 C ATOM 1909 O PHE A 128 -5.794 -6.277 5.268 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.387 -3.518 3.780 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.186 -4.445 3.955 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.966 -5.488 3.067 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.297 -4.282 5.025 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -1.904 -6.342 3.243 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.230 -5.138 5.194 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.034 -6.168 4.297 1.00 0.00 C ATOM 0 H PHE A 128 -6.426 -2.210 4.153 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.015 -4.836 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.390 -3.135 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.269 -2.660 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.635 -5.630 2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.450 -3.475 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.750 -7.156 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.552 -5.003 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.197 -6.839 4.421 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.542 -4.371 6.495 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.437 -4.982 7.832 1.00 0.00 C ATOM 1928 C LYS A 129 -6.623 -5.922 8.115 1.00 0.00 C ATOM 1929 O LYS A 129 -6.437 -7.100 8.449 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.415 -3.845 8.889 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.308 -4.296 10.364 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.845 -3.233 11.347 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.203 -1.854 11.167 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.776 -0.864 12.115 1.00 0.00 N ATOM 0 H LYS A 129 -5.489 -3.353 6.520 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.523 -5.574 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.575 -3.187 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.323 -3.252 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.864 -5.224 10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.266 -4.511 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.924 -3.142 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.674 -3.574 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.127 -1.929 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.355 -1.511 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.122 -0.062 12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.689 -0.523 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.919 -1.313 13.042 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.841 -5.373 7.930 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.108 -6.080 8.176 1.00 0.00 C ATOM 1950 C ARG A 130 -9.248 -7.294 7.245 1.00 0.00 C ATOM 1951 O ARG A 130 -9.756 -8.332 7.662 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.311 -5.107 8.007 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.671 -5.704 8.439 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.818 -4.672 8.453 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.079 -5.267 8.935 1.00 0.00 N ATOM 1956 CZ ARG A 130 -15.232 -4.608 9.141 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -15.334 -3.302 8.899 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.291 -5.269 9.585 1.00 0.00 N ATOM 0 H ARG A 130 -7.970 -4.416 7.602 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.104 -6.447 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.120 -4.206 8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.375 -4.803 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.933 -6.518 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.570 -6.137 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.544 -3.832 9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.963 -4.275 7.448 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.075 -6.268 9.129 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.528 -2.783 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -16.218 -2.821 9.062 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.227 -6.270 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.170 -4.776 9.744 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.758 -7.144 5.996 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.764 -8.221 4.982 1.00 0.00 C ATOM 1974 C TYR A 131 -7.856 -9.391 5.412 1.00 0.00 C ATOM 1975 O TYR A 131 -8.237 -10.556 5.266 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.310 -7.663 3.605 1.00 0.00 C ATOM 1977 CG TYR A 131 -8.258 -8.706 2.465 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -9.431 -9.269 1.956 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -7.040 -9.126 1.912 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -9.394 -10.205 0.942 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -7.004 -10.063 0.895 1.00 0.00 C ATOM 1982 CZ TYR A 131 -8.183 -10.598 0.413 1.00 0.00 C ATOM 1983 OH TYR A 131 -8.154 -11.524 -0.604 1.00 0.00 O ATOM 0 H TYR A 131 -8.347 -6.272 5.662 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.782 -8.599 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.988 -6.861 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.321 -7.219 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.384 -8.966 2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -6.115 -8.712 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -10.312 -10.629 0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -6.057 -10.375 0.479 1.00 0.00 H new ATOM 0 HH TYR A 131 -7.225 -11.693 -0.866 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.662 -9.055 5.936 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.662 -10.039 6.409 1.00 0.00 C ATOM 1995 C VAL A 132 -6.233 -10.881 7.574 1.00 0.00 C ATOM 1996 O VAL A 132 -6.184 -12.122 7.546 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.331 -9.302 6.859 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.334 -10.259 7.545 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.656 -8.593 5.662 1.00 0.00 C ATOM 0 H VAL A 132 -6.359 -8.087 6.045 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.426 -10.711 5.584 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.623 -8.552 7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.440 -9.707 7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.796 -10.691 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.060 -11.056 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.746 -8.096 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.406 -9.328 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.340 -7.854 5.244 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.810 -10.177 8.563 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.349 -10.789 9.794 1.00 0.00 C ATOM 2011 C GLU A 133 -8.655 -11.568 9.519 1.00 0.00 C ATOM 2012 O GLU A 133 -8.971 -12.526 10.234 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.589 -9.689 10.856 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.337 -8.858 11.212 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.657 -7.675 12.143 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.311 -6.720 11.690 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -6.272 -7.700 13.332 1.00 0.00 O ATOM 0 H GLU A 133 -6.917 -9.163 8.533 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.617 -11.505 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.366 -9.015 10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.970 -10.156 11.764 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.601 -9.504 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.883 -8.482 10.296 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.400 -11.153 8.472 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.666 -11.804 8.070 1.00 0.00 C ATOM 2026 C ALA A 134 -10.384 -13.095 7.291 1.00 0.00 C ATOM 2027 O ALA A 134 -11.028 -14.124 7.523 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.527 -10.847 7.235 1.00 0.00 C ATOM 0 H ALA A 134 -9.142 -10.361 7.884 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.220 -12.061 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.453 -11.346 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.759 -9.959 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.981 -10.555 6.338 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.390 -13.024 6.383 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.966 -14.156 5.533 1.00 0.00 C ATOM 2036 C ALA A 135 -8.247 -15.229 6.370 1.00 0.00 C ATOM 2037 O ALA A 135 -8.219 -16.405 5.993 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.049 -13.659 4.400 1.00 0.00 C ATOM 0 H ALA A 135 -8.854 -12.172 6.217 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.856 -14.605 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.744 -14.503 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.587 -12.936 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.166 -13.185 4.828 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.659 -14.800 7.504 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.962 -15.700 8.419 1.00 0.00 C ATOM 2046 C GLY A 136 -5.508 -15.902 8.035 1.00 0.00 C ATOM 2047 O GLY A 136 -4.609 -15.525 8.788 1.00 0.00 O ATOM 0 H GLY A 136 -7.658 -13.825 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.015 -15.298 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.469 -16.665 8.432 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.307 -16.484 6.834 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.991 -16.831 6.253 1.00 0.00 C ATOM 2053 C LEU A 137 -3.336 -17.999 7.034 1.00 0.00 C ATOM 2054 O LEU A 137 -3.212 -19.102 6.506 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.046 -15.596 6.129 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.599 -14.362 5.331 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.580 -13.199 5.319 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.018 -14.749 3.896 1.00 0.00 C ATOM 0 H LEU A 137 -6.082 -16.734 6.220 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.165 -17.172 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.788 -15.263 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.121 -15.922 5.653 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.494 -14.018 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.992 -12.360 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.373 -12.886 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.655 -13.531 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -4.395 -13.868 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.156 -15.145 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.799 -15.508 3.937 1.00 0.00 H new