USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 529 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 59 LYS NZ :NH3+ 131:sc= -0.759 (180deg=-1.13) USER MOD Set 1.2: A 69 ASN : amide:sc= -0.314 K(o=-1.1,f=-4.6!) USER MOD Single : A 1 MET CE :methyl -142:sc= -0.132 (180deg=-0.648) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0299 (180deg=-0.325) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0466 (180deg=-0.315) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.095) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 12 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.47) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 16 CYS SG : rot 180:sc= 0.229 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0377 (180deg=-0.252) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0588 (180deg=-0.334) USER MOD Single : A 35 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 36 CYS SG : rot 170:sc= 0.384 USER MOD Single : A 40 ASN : amide:sc= -0.603 K(o=-0.6,f=-4.2!) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 44 SER OG : rot 126:sc= 0.0236 USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= -0.0332 (180deg=-0.282) USER MOD Single : A 47 CYS SG : rot 24:sc= -1.6 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0566 (180deg=-0.332) USER MOD Single : A 54 TYR OH : rot 44:sc= 0.461 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 76:sc= 0.775 USER MOD Single : A 58 MET CE :methyl -149:sc= -0.234 (180deg=-2.04) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.472 35.332 -20.829 1.00 0.00 N ATOM 2 CA MET A 1 -20.640 36.201 -19.957 1.00 0.00 C ATOM 3 C MET A 1 -19.936 35.379 -18.884 1.00 0.00 C ATOM 4 O MET A 1 -18.715 35.222 -18.907 1.00 0.00 O ATOM 5 CB MET A 1 -21.510 37.275 -19.297 1.00 0.00 C ATOM 6 CG MET A 1 -22.297 38.118 -20.287 1.00 0.00 C ATOM 7 SD MET A 1 -23.268 39.411 -19.487 1.00 0.00 S ATOM 8 CE MET A 1 -24.359 38.435 -18.453 1.00 0.00 C ATOM 0 H1 MET A 1 -21.763 35.864 -21.674 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.920 34.499 -21.118 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.317 35.023 -20.307 1.00 0.00 H new ATOM 0 HA MET A 1 -19.884 36.681 -20.579 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.206 36.794 -18.609 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.874 37.930 -18.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.608 38.575 -20.997 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.962 37.472 -20.859 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.350 38.889 -18.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.429 37.423 -18.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.963 38.399 -17.438 1.00 0.00 H new ATOM 20 N THR A 2 -20.717 34.853 -17.944 1.00 0.00 N ATOM 21 CA THR A 2 -20.172 34.047 -16.858 1.00 0.00 C ATOM 22 C THR A 2 -20.712 32.622 -16.904 1.00 0.00 C ATOM 23 O THR A 2 -21.854 32.394 -17.306 1.00 0.00 O ATOM 24 CB THR A 2 -20.495 34.665 -15.485 1.00 0.00 C ATOM 25 OG1 THR A 2 -19.936 33.859 -14.441 1.00 0.00 O ATOM 26 CG2 THR A 2 -21.999 34.791 -15.286 1.00 0.00 C ATOM 0 H THR A 2 -21.730 34.971 -17.914 1.00 0.00 H new ATOM 0 HA THR A 2 -19.091 34.025 -16.992 1.00 0.00 H new ATOM 0 HB THR A 2 -20.056 35.662 -15.449 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.144 34.260 -13.571 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.201 35.230 -14.309 1.00 0.00 H new ATOM 0 HG22 THR A 2 -22.417 35.430 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 2 -22.457 33.804 -15.342 1.00 0.00 H new ATOM 34 N GLU A 3 -19.887 31.667 -16.490 1.00 0.00 N ATOM 35 CA GLU A 3 -20.284 30.264 -16.484 1.00 0.00 C ATOM 36 C GLU A 3 -19.860 29.582 -15.186 1.00 0.00 C ATOM 37 O GLU A 3 -18.683 29.278 -14.990 1.00 0.00 O ATOM 38 CB GLU A 3 -19.673 29.533 -17.682 1.00 0.00 C ATOM 39 CG GLU A 3 -20.095 28.076 -17.787 1.00 0.00 C ATOM 40 CD GLU A 3 -21.585 27.916 -18.017 1.00 0.00 C ATOM 41 OE1 GLU A 3 -22.339 27.886 -17.022 1.00 0.00 O ATOM 42 OE2 GLU A 3 -21.998 27.822 -19.192 1.00 0.00 O ATOM 0 H GLU A 3 -18.939 31.839 -16.154 1.00 0.00 H new ATOM 0 HA GLU A 3 -21.371 30.221 -16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.958 30.052 -18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.586 29.584 -17.612 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -19.552 27.602 -18.605 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.814 27.553 -16.873 1.00 0.00 H new ATOM 49 N THR A 4 -20.826 29.349 -14.303 1.00 0.00 N ATOM 50 CA THR A 4 -20.556 28.698 -13.027 1.00 0.00 C ATOM 51 C THR A 4 -20.436 27.189 -13.205 1.00 0.00 C ATOM 52 O THR A 4 -21.151 26.591 -14.008 1.00 0.00 O ATOM 53 CB THR A 4 -21.663 28.996 -11.999 1.00 0.00 C ATOM 54 OG1 THR A 4 -22.928 28.540 -12.493 1.00 0.00 O ATOM 55 CG2 THR A 4 -21.739 30.486 -11.701 1.00 0.00 C ATOM 0 H THR A 4 -21.803 29.602 -14.448 1.00 0.00 H new ATOM 0 HA THR A 4 -19.612 29.098 -12.656 1.00 0.00 H new ATOM 0 HB THR A 4 -21.421 28.468 -11.077 1.00 0.00 H new ATOM 0 HG1 THR A 4 -23.626 28.732 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.528 30.672 -10.972 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.785 30.825 -11.297 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.958 31.030 -12.620 1.00 0.00 H new ATOM 63 N ASP A 5 -19.528 26.575 -12.451 1.00 0.00 N ATOM 64 CA ASP A 5 -19.319 25.136 -12.539 1.00 0.00 C ATOM 65 C ASP A 5 -18.552 24.612 -11.330 1.00 0.00 C ATOM 66 O ASP A 5 -17.478 25.112 -10.997 1.00 0.00 O ATOM 67 CB ASP A 5 -18.561 24.790 -13.821 1.00 0.00 C ATOM 68 CG ASP A 5 -18.322 23.300 -13.966 1.00 0.00 C ATOM 69 OD1 ASP A 5 -17.284 22.815 -13.471 1.00 0.00 O ATOM 70 OD2 ASP A 5 -19.175 22.619 -14.574 1.00 0.00 O ATOM 0 H ASP A 5 -18.929 27.050 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.298 24.658 -12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.124 25.150 -14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.604 25.311 -13.826 1.00 0.00 H new ATOM 75 N LYS A 6 -19.113 23.597 -10.679 1.00 0.00 N ATOM 76 CA LYS A 6 -18.483 22.993 -9.511 1.00 0.00 C ATOM 77 C LYS A 6 -18.691 21.483 -9.507 1.00 0.00 C ATOM 78 O LYS A 6 -17.743 20.716 -9.678 1.00 0.00 O ATOM 79 CB LYS A 6 -19.046 23.601 -8.225 1.00 0.00 C ATOM 80 CG LYS A 6 -18.747 25.083 -8.071 1.00 0.00 C ATOM 81 CD LYS A 6 -19.235 25.616 -6.734 1.00 0.00 C ATOM 82 CE LYS A 6 -18.949 27.101 -6.589 1.00 0.00 C ATOM 83 NZ LYS A 6 -17.497 27.403 -6.723 1.00 0.00 N ATOM 0 H LYS A 6 -20.004 23.176 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.413 23.197 -9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.126 23.453 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -18.635 23.065 -7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.673 25.249 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -19.223 25.637 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -20.307 25.440 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.750 25.070 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.506 27.653 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.303 27.446 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.311 28.370 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.948 26.728 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.216 27.323 -7.721 1.00 0.00 H new ATOM 97 N LYS A 7 -19.937 21.066 -9.313 1.00 0.00 N ATOM 98 CA LYS A 7 -20.275 19.650 -9.289 1.00 0.00 C ATOM 99 C LYS A 7 -20.139 19.034 -10.677 1.00 0.00 C ATOM 100 O LYS A 7 -20.792 19.468 -11.626 1.00 0.00 O ATOM 101 CB LYS A 7 -21.700 19.453 -8.768 1.00 0.00 C ATOM 102 CG LYS A 7 -21.926 20.022 -7.375 1.00 0.00 C ATOM 103 CD LYS A 7 -21.100 19.290 -6.328 1.00 0.00 C ATOM 104 CE LYS A 7 -21.352 19.843 -4.936 1.00 0.00 C ATOM 105 NZ LYS A 7 -20.567 19.119 -3.898 1.00 0.00 N ATOM 0 H LYS A 7 -20.730 21.691 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 7 -19.578 19.147 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -22.399 19.923 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -21.929 18.387 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.667 21.081 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -22.983 19.951 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.343 18.228 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.041 19.379 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.093 20.902 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.414 19.770 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -20.768 19.528 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.832 18.113 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.552 19.210 -4.104 1.00 0.00 H new ATOM 119 N GLN A 8 -19.286 18.022 -10.787 1.00 0.00 N ATOM 120 CA GLN A 8 -19.061 17.344 -12.058 1.00 0.00 C ATOM 121 C GLN A 8 -19.784 16.000 -12.094 1.00 0.00 C ATOM 122 O GLN A 8 -20.305 15.538 -11.080 1.00 0.00 O ATOM 123 CB GLN A 8 -17.563 17.139 -12.288 1.00 0.00 C ATOM 124 CG GLN A 8 -16.775 18.436 -12.362 1.00 0.00 C ATOM 125 CD GLN A 8 -17.161 19.285 -13.557 1.00 0.00 C ATOM 126 OE1 GLN A 8 -18.066 20.117 -13.477 1.00 0.00 O ATOM 127 NE2 GLN A 8 -16.474 19.080 -14.676 1.00 0.00 N ATOM 0 H GLN A 8 -18.738 17.653 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 8 -19.462 17.971 -12.854 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.161 16.525 -11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.419 16.583 -13.214 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.936 19.007 -11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.710 18.208 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -15.732 18.380 -14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.689 19.622 -15.513 1.00 0.00 H new ATOM 136 N GLU A 9 -19.810 15.381 -13.271 1.00 0.00 N ATOM 137 CA GLU A 9 -20.467 14.089 -13.441 1.00 0.00 C ATOM 138 C GLU A 9 -19.602 12.966 -12.876 1.00 0.00 C ATOM 139 O GLU A 9 -18.378 12.993 -12.998 1.00 0.00 O ATOM 140 CB GLU A 9 -20.753 13.831 -14.922 1.00 0.00 C ATOM 141 CG GLU A 9 -21.470 12.516 -15.186 1.00 0.00 C ATOM 142 CD GLU A 9 -21.761 12.296 -16.657 1.00 0.00 C ATOM 143 OE1 GLU A 9 -20.896 11.723 -17.355 1.00 0.00 O ATOM 144 OE2 GLU A 9 -22.853 12.695 -17.113 1.00 0.00 O ATOM 0 H GLU A 9 -19.384 15.753 -14.120 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.410 14.111 -12.895 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -21.357 14.649 -15.314 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.812 13.838 -15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.861 11.693 -14.813 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.406 12.498 -14.628 1.00 0.00 H new ATOM 151 N GLN A 10 -20.249 11.984 -12.257 1.00 0.00 N ATOM 152 CA GLN A 10 -19.538 10.851 -11.673 1.00 0.00 C ATOM 153 C GLN A 10 -18.821 10.049 -12.752 1.00 0.00 C ATOM 154 O GLN A 10 -19.413 9.686 -13.769 1.00 0.00 O ATOM 155 CB GLN A 10 -20.510 9.953 -10.908 1.00 0.00 C ATOM 156 CG GLN A 10 -21.310 10.692 -9.850 1.00 0.00 C ATOM 157 CD GLN A 10 -22.254 9.782 -9.088 1.00 0.00 C ATOM 158 OE1 GLN A 10 -22.729 8.777 -9.617 1.00 0.00 O ATOM 159 NE2 GLN A 10 -22.534 10.134 -7.839 1.00 0.00 N ATOM 0 H GLN A 10 -21.262 11.949 -12.147 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.792 11.237 -10.978 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -21.198 9.490 -11.615 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.951 9.147 -10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.625 11.167 -9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -21.883 11.488 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -22.117 10.976 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -23.166 9.563 -7.278 1.00 0.00 H new ATOM 168 N GLU A 11 -17.541 9.776 -12.522 1.00 0.00 N ATOM 169 CA GLU A 11 -16.733 9.024 -13.474 1.00 0.00 C ATOM 170 C GLU A 11 -16.103 7.805 -12.808 1.00 0.00 C ATOM 171 O GLU A 11 -16.423 6.665 -13.146 1.00 0.00 O ATOM 172 CB GLU A 11 -15.642 9.924 -14.060 1.00 0.00 C ATOM 173 CG GLU A 11 -14.753 9.226 -15.076 1.00 0.00 C ATOM 174 CD GLU A 11 -13.678 10.138 -15.630 1.00 0.00 C ATOM 175 OE1 GLU A 11 -13.945 10.832 -16.633 1.00 0.00 O ATOM 176 OE2 GLU A 11 -12.567 10.161 -15.058 1.00 0.00 O ATOM 0 H GLU A 11 -17.040 10.065 -11.682 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.383 8.678 -14.278 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.111 10.787 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.022 10.303 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.285 8.359 -14.609 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.367 8.854 -15.896 1.00 0.00 H new ATOM 183 N ASN A 12 -15.207 8.055 -11.861 1.00 0.00 N ATOM 184 CA ASN A 12 -14.526 6.982 -11.147 1.00 0.00 C ATOM 185 C ASN A 12 -15.414 6.409 -10.045 1.00 0.00 C ATOM 186 O ASN A 12 -15.930 7.145 -9.204 1.00 0.00 O ATOM 187 CB ASN A 12 -13.215 7.497 -10.548 1.00 0.00 C ATOM 188 CG ASN A 12 -13.429 8.657 -9.597 1.00 0.00 C ATOM 189 OD1 ASN A 12 -13.623 8.465 -8.397 1.00 0.00 O ATOM 190 ND2 ASN A 12 -13.396 9.874 -10.131 1.00 0.00 N ATOM 0 H ASN A 12 -14.935 8.994 -11.569 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.307 6.186 -11.859 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.717 6.685 -10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.549 7.809 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.535 10.694 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.232 9.988 -11.131 1.00 0.00 H new ATOM 197 N HIS A 13 -15.591 5.091 -10.060 1.00 0.00 N ATOM 198 CA HIS A 13 -16.415 4.419 -9.060 1.00 0.00 C ATOM 199 C HIS A 13 -15.569 3.975 -7.870 1.00 0.00 C ATOM 200 O HIS A 13 -15.953 4.170 -6.717 1.00 0.00 O ATOM 201 CB HIS A 13 -17.123 3.211 -9.677 1.00 0.00 C ATOM 202 CG HIS A 13 -17.993 3.559 -10.844 1.00 0.00 C ATOM 203 ND1 HIS A 13 -17.678 3.226 -12.145 1.00 0.00 N ATOM 204 CD2 HIS A 13 -19.178 4.212 -10.901 1.00 0.00 C ATOM 205 CE1 HIS A 13 -18.631 3.659 -12.951 1.00 0.00 C ATOM 206 NE2 HIS A 13 -19.553 4.259 -12.222 1.00 0.00 N ATOM 0 H HIS A 13 -15.176 4.468 -10.752 1.00 0.00 H new ATOM 0 HA HIS A 13 -17.165 5.127 -8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -16.375 2.485 -9.996 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -17.731 2.727 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -19.726 4.620 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -18.652 3.542 -14.024 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -20.406 4.688 -12.581 1.00 0.00 H new ATOM 215 N ALA A 14 -14.415 3.379 -8.159 1.00 0.00 N ATOM 216 CA ALA A 14 -13.514 2.911 -7.112 1.00 0.00 C ATOM 217 C ALA A 14 -12.069 2.888 -7.599 1.00 0.00 C ATOM 218 O ALA A 14 -11.738 2.189 -8.557 1.00 0.00 O ATOM 219 CB ALA A 14 -13.932 1.530 -6.631 1.00 0.00 C ATOM 0 H ALA A 14 -14.083 3.209 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.578 3.609 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.250 1.195 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.946 1.575 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.901 0.829 -7.465 1.00 0.00 H new ATOM 225 N GLU A 15 -11.214 3.657 -6.933 1.00 0.00 N ATOM 226 CA GLU A 15 -9.804 3.726 -7.295 1.00 0.00 C ATOM 227 C GLU A 15 -8.988 2.710 -6.502 1.00 0.00 C ATOM 228 O GLU A 15 -9.540 1.905 -5.752 1.00 0.00 O ATOM 229 CB GLU A 15 -9.261 5.135 -7.048 1.00 0.00 C ATOM 230 CG GLU A 15 -9.958 6.208 -7.867 1.00 0.00 C ATOM 231 CD GLU A 15 -9.406 7.595 -7.601 1.00 0.00 C ATOM 232 OE1 GLU A 15 -8.440 7.992 -8.287 1.00 0.00 O ATOM 233 OE2 GLU A 15 -9.940 8.284 -6.707 1.00 0.00 O ATOM 0 H GLU A 15 -11.474 4.242 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.715 3.489 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.363 5.374 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.195 5.150 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.853 5.976 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.024 6.196 -7.642 1.00 0.00 H new ATOM 240 N CYS A 16 -7.670 2.753 -6.675 1.00 0.00 N ATOM 241 CA CYS A 16 -6.776 1.837 -5.977 1.00 0.00 C ATOM 242 C CYS A 16 -6.673 2.197 -4.498 1.00 0.00 C ATOM 243 O CYS A 16 -6.716 3.371 -4.130 1.00 0.00 O ATOM 244 CB CYS A 16 -5.387 1.859 -6.617 1.00 0.00 C ATOM 245 SG CYS A 16 -4.181 0.790 -5.799 1.00 0.00 S ATOM 0 H CYS A 16 -7.198 3.413 -7.293 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.190 0.832 -6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.475 1.558 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.012 2.883 -6.611 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.039 0.875 -6.414 1.00 0.00 H new ATOM 251 N GLU A 17 -6.532 1.178 -3.656 1.00 0.00 N ATOM 252 CA GLU A 17 -6.428 1.381 -2.215 1.00 0.00 C ATOM 253 C GLU A 17 -4.969 1.547 -1.790 1.00 0.00 C ATOM 254 O GLU A 17 -4.628 1.372 -0.619 1.00 0.00 O ATOM 255 CB GLU A 17 -7.064 0.199 -1.474 1.00 0.00 C ATOM 256 CG GLU A 17 -7.341 0.471 -0.002 1.00 0.00 C ATOM 257 CD GLU A 17 -8.319 1.610 0.209 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.867 2.771 0.302 1.00 0.00 O ATOM 259 OE2 GLU A 17 -9.537 1.341 0.283 1.00 0.00 O ATOM 0 H GLU A 17 -6.487 0.202 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.962 2.295 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.000 -0.065 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.405 -0.666 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.736 -0.433 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.404 0.704 0.503 1.00 0.00 H new ATOM 266 N ASP A 18 -4.109 1.892 -2.744 1.00 0.00 N ATOM 267 CA ASP A 18 -2.690 2.080 -2.455 1.00 0.00 C ATOM 268 C ASP A 18 -2.162 3.356 -3.103 1.00 0.00 C ATOM 269 O ASP A 18 -0.953 3.541 -3.246 1.00 0.00 O ATOM 270 CB ASP A 18 -1.887 0.868 -2.935 1.00 0.00 C ATOM 271 CG ASP A 18 -0.479 0.841 -2.369 1.00 0.00 C ATOM 272 OD1 ASP A 18 -0.310 0.372 -1.224 1.00 0.00 O ATOM 273 OD2 ASP A 18 0.453 1.288 -3.070 1.00 0.00 O ATOM 0 H ASP A 18 -4.367 2.046 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.573 2.177 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.408 -0.045 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.837 0.878 -4.024 1.00 0.00 H new ATOM 278 N LYS A 19 -3.080 4.237 -3.482 1.00 0.00 N ATOM 279 CA LYS A 19 -2.720 5.506 -4.107 1.00 0.00 C ATOM 280 C LYS A 19 -3.949 6.405 -4.256 1.00 0.00 C ATOM 281 O LYS A 19 -4.880 6.073 -4.990 1.00 0.00 O ATOM 282 CB LYS A 19 -2.064 5.272 -5.473 1.00 0.00 C ATOM 283 CG LYS A 19 -2.895 4.425 -6.422 1.00 0.00 C ATOM 284 CD LYS A 19 -2.221 4.291 -7.778 1.00 0.00 C ATOM 285 CE LYS A 19 -3.087 3.517 -8.758 1.00 0.00 C ATOM 286 NZ LYS A 19 -2.445 3.402 -10.096 1.00 0.00 N ATOM 0 H LYS A 19 -4.084 4.096 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.001 6.008 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.869 6.237 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.098 4.789 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.048 3.436 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.880 4.875 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.011 5.282 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.262 3.786 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.281 2.520 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.052 4.013 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.068 2.867 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.282 4.352 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.536 2.906 -10.003 1.00 0.00 H new ATOM 300 N PRO A 20 -3.978 7.556 -3.554 1.00 0.00 N ATOM 301 CA PRO A 20 -5.108 8.486 -3.625 1.00 0.00 C ATOM 302 C PRO A 20 -5.193 9.181 -4.979 1.00 0.00 C ATOM 303 O PRO A 20 -6.283 9.399 -5.510 1.00 0.00 O ATOM 304 CB PRO A 20 -4.812 9.501 -2.520 1.00 0.00 C ATOM 305 CG PRO A 20 -3.333 9.456 -2.347 1.00 0.00 C ATOM 306 CD PRO A 20 -2.923 8.039 -2.640 1.00 0.00 C ATOM 0 HA PRO A 20 -6.064 7.976 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.147 10.500 -2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.326 9.240 -1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.840 10.153 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.050 9.742 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.938 7.994 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.874 7.439 -1.731 1.00 0.00 H new ATOM 314 N LYS A 21 -4.033 9.522 -5.533 1.00 0.00 N ATOM 315 CA LYS A 21 -3.964 10.190 -6.828 1.00 0.00 C ATOM 316 C LYS A 21 -2.522 10.251 -7.349 1.00 0.00 C ATOM 317 O LYS A 21 -2.264 9.875 -8.492 1.00 0.00 O ATOM 318 CB LYS A 21 -4.563 11.595 -6.743 1.00 0.00 C ATOM 319 CG LYS A 21 -4.475 12.382 -8.044 1.00 0.00 C ATOM 320 CD LYS A 21 -5.271 11.720 -9.161 1.00 0.00 C ATOM 321 CE LYS A 21 -6.769 11.798 -8.907 1.00 0.00 C ATOM 322 NZ LYS A 21 -7.262 13.203 -8.914 1.00 0.00 N ATOM 0 H LYS A 21 -3.125 9.346 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.551 9.604 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.609 11.516 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.051 12.151 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.847 13.394 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.431 12.471 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.037 12.203 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.971 10.676 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.297 11.225 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.999 11.338 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.299 13.207 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.980 13.674 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.851 13.711 -9.723 1.00 0.00 H new ATOM 336 N PRO A 22 -1.557 10.725 -6.528 1.00 0.00 N ATOM 337 CA PRO A 22 -0.160 10.820 -6.939 1.00 0.00 C ATOM 338 C PRO A 22 0.616 9.532 -6.687 1.00 0.00 C ATOM 339 O PRO A 22 0.165 8.659 -5.944 1.00 0.00 O ATOM 340 CB PRO A 22 0.368 11.945 -6.059 1.00 0.00 C ATOM 341 CG PRO A 22 -0.402 11.816 -4.787 1.00 0.00 C ATOM 342 CD PRO A 22 -1.740 11.211 -5.144 1.00 0.00 C ATOM 0 HA PRO A 22 -0.054 10.999 -8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.440 11.845 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.210 12.919 -6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.130 11.184 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.532 12.789 -4.314 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.003 10.398 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.540 11.949 -5.083 1.00 0.00 H new ATOM 350 N CYS A 23 1.789 9.422 -7.307 1.00 0.00 N ATOM 351 CA CYS A 23 2.632 8.241 -7.155 1.00 0.00 C ATOM 352 C CYS A 23 4.006 8.472 -7.779 1.00 0.00 C ATOM 353 O CYS A 23 4.809 7.546 -7.902 1.00 0.00 O ATOM 354 CB CYS A 23 1.961 7.025 -7.800 1.00 0.00 C ATOM 355 SG CYS A 23 2.795 5.455 -7.475 1.00 0.00 S ATOM 0 H CYS A 23 2.177 10.139 -7.920 1.00 0.00 H new ATOM 0 HA CYS A 23 2.764 8.051 -6.090 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.934 6.958 -7.441 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.912 7.181 -8.878 1.00 0.00 H new ATOM 361 N CYS A 24 4.275 9.717 -8.166 1.00 0.00 N ATOM 362 CA CYS A 24 5.551 10.068 -8.781 1.00 0.00 C ATOM 363 C CYS A 24 6.478 10.746 -7.778 1.00 0.00 C ATOM 364 O CYS A 24 7.520 11.287 -8.149 1.00 0.00 O ATOM 365 CB CYS A 24 5.322 10.988 -9.982 1.00 0.00 C ATOM 366 SG CYS A 24 4.300 10.263 -11.285 1.00 0.00 S ATOM 0 H CYS A 24 3.627 10.498 -8.064 1.00 0.00 H new ATOM 0 HA CYS A 24 6.027 9.147 -9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.851 11.908 -9.636 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.288 11.263 -10.404 1.00 0.00 H new ATOM 0 HG CYS A 24 4.162 11.118 -12.255 1.00 0.00 H new ATOM 372 N VAL A 25 6.098 10.712 -6.504 1.00 0.00 N ATOM 373 CA VAL A 25 6.900 11.327 -5.453 1.00 0.00 C ATOM 374 C VAL A 25 7.870 10.319 -4.843 1.00 0.00 C ATOM 375 O VAL A 25 8.914 10.694 -4.305 1.00 0.00 O ATOM 376 CB VAL A 25 6.010 11.917 -4.339 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.845 12.715 -3.350 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.913 12.783 -4.938 1.00 0.00 C ATOM 0 H VAL A 25 5.241 10.266 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 25 7.467 12.135 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 25 5.542 11.093 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.198 13.122 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.592 12.064 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.344 13.532 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.294 13.191 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.362 13.600 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.295 12.179 -5.603 1.00 0.00 H new ATOM 388 N CYS A 26 7.524 9.039 -4.935 1.00 0.00 N ATOM 389 CA CYS A 26 8.365 7.976 -4.394 1.00 0.00 C ATOM 390 C CYS A 26 9.240 7.367 -5.486 1.00 0.00 C ATOM 391 O CYS A 26 8.739 6.904 -6.510 1.00 0.00 O ATOM 392 CB CYS A 26 7.498 6.892 -3.752 1.00 0.00 C ATOM 393 SG CYS A 26 6.301 6.142 -4.881 1.00 0.00 S ATOM 0 H CYS A 26 6.666 8.712 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 26 9.015 8.409 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.146 6.111 -3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.963 7.323 -2.906 1.00 0.00 H new ATOM 399 N LYS A 27 10.552 7.367 -5.257 1.00 0.00 N ATOM 400 CA LYS A 27 11.498 6.815 -6.225 1.00 0.00 C ATOM 401 C LYS A 27 12.737 6.219 -5.543 1.00 0.00 C ATOM 402 O LYS A 27 13.069 5.058 -5.783 1.00 0.00 O ATOM 403 CB LYS A 27 11.925 7.883 -7.241 1.00 0.00 C ATOM 404 CG LYS A 27 10.837 8.251 -8.239 1.00 0.00 C ATOM 405 CD LYS A 27 11.341 9.246 -9.275 1.00 0.00 C ATOM 406 CE LYS A 27 12.371 8.619 -10.202 1.00 0.00 C ATOM 407 NZ LYS A 27 12.864 9.587 -11.221 1.00 0.00 N ATOM 0 H LYS A 27 10.983 7.742 -4.412 1.00 0.00 H new ATOM 0 HA LYS A 27 10.983 6.009 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.231 8.781 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.798 7.524 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.483 7.350 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.985 8.677 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.501 9.617 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.781 10.106 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.212 8.251 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.931 7.757 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.564 9.121 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.066 9.919 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.307 10.398 -10.744 1.00 0.00 H new ATOM 421 N PRO A 28 13.445 6.988 -4.683 1.00 0.00 N ATOM 422 CA PRO A 28 14.649 6.490 -4.003 1.00 0.00 C ATOM 423 C PRO A 28 14.370 5.286 -3.109 1.00 0.00 C ATOM 424 O PRO A 28 14.987 4.231 -3.263 1.00 0.00 O ATOM 425 CB PRO A 28 15.115 7.682 -3.159 1.00 0.00 C ATOM 426 CG PRO A 28 13.916 8.555 -3.026 1.00 0.00 C ATOM 427 CD PRO A 28 13.145 8.384 -4.301 1.00 0.00 C ATOM 0 HA PRO A 28 15.392 6.142 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.476 7.357 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.936 8.211 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.315 8.266 -2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.204 9.596 -2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.077 8.541 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.467 9.090 -5.066 1.00 0.00 H new ATOM 435 N GLU A 29 13.436 5.445 -2.176 1.00 0.00 N ATOM 436 CA GLU A 29 13.083 4.367 -1.259 1.00 0.00 C ATOM 437 C GLU A 29 12.518 3.170 -2.016 1.00 0.00 C ATOM 438 O GLU A 29 12.731 2.021 -1.627 1.00 0.00 O ATOM 439 CB GLU A 29 12.076 4.860 -0.217 1.00 0.00 C ATOM 440 CG GLU A 29 12.656 5.876 0.753 1.00 0.00 C ATOM 441 CD GLU A 29 11.697 6.229 1.872 1.00 0.00 C ATOM 442 OE1 GLU A 29 11.609 5.452 2.845 1.00 0.00 O ATOM 443 OE2 GLU A 29 11.033 7.282 1.775 1.00 0.00 O ATOM 0 H GLU A 29 12.911 6.308 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 29 13.991 4.048 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.223 5.305 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.700 4.006 0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.577 5.480 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.922 6.782 0.208 1.00 0.00 H new ATOM 450 N LYS A 30 11.801 3.447 -3.100 1.00 0.00 N ATOM 451 CA LYS A 30 11.212 2.392 -3.916 1.00 0.00 C ATOM 452 C LYS A 30 12.305 1.566 -4.584 1.00 0.00 C ATOM 453 O LYS A 30 12.192 0.346 -4.708 1.00 0.00 O ATOM 454 CB LYS A 30 10.284 2.992 -4.975 1.00 0.00 C ATOM 455 CG LYS A 30 9.556 1.949 -5.808 1.00 0.00 C ATOM 456 CD LYS A 30 8.637 2.595 -6.832 1.00 0.00 C ATOM 457 CE LYS A 30 7.866 1.552 -7.626 1.00 0.00 C ATOM 458 NZ LYS A 30 7.019 0.698 -6.748 1.00 0.00 N ATOM 0 H LYS A 30 11.614 4.393 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 30 10.627 1.740 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.549 3.629 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.868 3.631 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.283 1.317 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.974 1.301 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.937 3.259 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.225 3.211 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.237 2.050 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.567 0.924 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.328 0.181 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.621 0.020 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.516 1.297 -6.063 1.00 0.00 H new ATOM 472 N GLU A 31 13.366 2.244 -5.012 1.00 0.00 N ATOM 473 CA GLU A 31 14.487 1.584 -5.665 1.00 0.00 C ATOM 474 C GLU A 31 15.242 0.702 -4.678 1.00 0.00 C ATOM 475 O GLU A 31 15.628 -0.421 -5.003 1.00 0.00 O ATOM 476 CB GLU A 31 15.436 2.622 -6.267 1.00 0.00 C ATOM 477 CG GLU A 31 16.636 2.014 -6.973 1.00 0.00 C ATOM 478 CD GLU A 31 17.603 3.063 -7.488 1.00 0.00 C ATOM 479 OE1 GLU A 31 18.519 3.448 -6.731 1.00 0.00 O ATOM 480 OE2 GLU A 31 17.443 3.499 -8.647 1.00 0.00 O ATOM 0 H GLU A 31 13.471 3.254 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 31 14.094 0.955 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.883 3.240 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.788 3.283 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.159 1.349 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.291 1.403 -7.807 1.00 0.00 H new ATOM 487 N GLU A 32 15.453 1.219 -3.471 1.00 0.00 N ATOM 488 CA GLU A 32 16.164 0.479 -2.435 1.00 0.00 C ATOM 489 C GLU A 32 15.424 -0.807 -2.077 1.00 0.00 C ATOM 490 O GLU A 32 16.034 -1.869 -1.945 1.00 0.00 O ATOM 491 CB GLU A 32 16.336 1.347 -1.186 1.00 0.00 C ATOM 492 CG GLU A 32 17.206 2.573 -1.412 1.00 0.00 C ATOM 493 CD GLU A 32 18.620 2.217 -1.827 1.00 0.00 C ATOM 494 OE1 GLU A 32 19.476 2.043 -0.932 1.00 0.00 O ATOM 495 OE2 GLU A 32 18.874 2.111 -3.044 1.00 0.00 O ATOM 0 H GLU A 32 15.141 2.148 -3.187 1.00 0.00 H new ATOM 0 HA GLU A 32 17.147 0.214 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.354 1.668 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.774 0.743 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.753 3.199 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.238 3.165 -0.497 1.00 0.00 H new ATOM 502 N ARG A 33 14.108 -0.702 -1.923 1.00 0.00 N ATOM 503 CA ARG A 33 13.284 -1.856 -1.578 1.00 0.00 C ATOM 504 C ARG A 33 13.334 -2.916 -2.676 1.00 0.00 C ATOM 505 O ARG A 33 13.581 -4.090 -2.404 1.00 0.00 O ATOM 506 CB ARG A 33 11.837 -1.421 -1.338 1.00 0.00 C ATOM 507 CG ARG A 33 10.910 -2.566 -0.965 1.00 0.00 C ATOM 508 CD ARG A 33 9.490 -2.080 -0.727 1.00 0.00 C ATOM 509 NE ARG A 33 8.930 -1.432 -1.909 1.00 0.00 N ATOM 510 CZ ARG A 33 7.784 -0.759 -1.907 1.00 0.00 C ATOM 511 NH1 ARG A 33 7.078 -0.647 -0.789 1.00 0.00 N ATOM 512 NH2 ARG A 33 7.340 -0.199 -3.024 1.00 0.00 N ATOM 0 H ARG A 33 13.589 0.169 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 33 13.683 -2.293 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.818 -0.676 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.458 -0.937 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.912 -3.311 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.282 -3.059 -0.067 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.861 -2.923 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.481 -1.380 0.109 1.00 0.00 H new ATOM 0 HE ARG A 33 9.447 -1.499 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.415 -1.078 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.199 -0.130 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.878 -0.284 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.460 0.317 -3.021 1.00 0.00 H new ATOM 526 N ASP A 34 13.096 -2.493 -3.916 1.00 0.00 N ATOM 527 CA ASP A 34 13.113 -3.409 -5.052 1.00 0.00 C ATOM 528 C ASP A 34 14.462 -4.111 -5.168 1.00 0.00 C ATOM 529 O ASP A 34 14.526 -5.315 -5.422 1.00 0.00 O ATOM 530 CB ASP A 34 12.800 -2.657 -6.347 1.00 0.00 C ATOM 531 CG ASP A 34 12.691 -3.586 -7.541 1.00 0.00 C ATOM 532 OD1 ASP A 34 11.577 -4.086 -7.804 1.00 0.00 O ATOM 533 OD2 ASP A 34 13.718 -3.813 -8.213 1.00 0.00 O ATOM 0 H ASP A 34 12.890 -1.524 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 34 12.346 -4.165 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.865 -2.109 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.580 -1.919 -6.534 1.00 0.00 H new ATOM 538 N THR A 35 15.536 -3.352 -4.981 1.00 0.00 N ATOM 539 CA THR A 35 16.885 -3.902 -5.064 1.00 0.00 C ATOM 540 C THR A 35 17.110 -4.957 -3.988 1.00 0.00 C ATOM 541 O THR A 35 17.747 -5.982 -4.233 1.00 0.00 O ATOM 542 CB THR A 35 17.952 -2.799 -4.920 1.00 0.00 C ATOM 543 OG1 THR A 35 17.769 -1.805 -5.935 1.00 0.00 O ATOM 544 CG2 THR A 35 19.355 -3.381 -5.025 1.00 0.00 C ATOM 0 H THR A 35 15.499 -2.355 -4.771 1.00 0.00 H new ATOM 0 HA THR A 35 16.982 -4.361 -6.048 1.00 0.00 H new ATOM 0 HB THR A 35 17.837 -2.343 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.927 -1.329 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.089 -2.582 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 35 19.504 -4.117 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.478 -3.862 -5.996 1.00 0.00 H new ATOM 552 N CYS A 36 16.584 -4.701 -2.794 1.00 0.00 N ATOM 553 CA CYS A 36 16.727 -5.631 -1.680 1.00 0.00 C ATOM 554 C CYS A 36 16.012 -6.946 -1.975 1.00 0.00 C ATOM 555 O CYS A 36 16.526 -8.024 -1.675 1.00 0.00 O ATOM 556 CB CYS A 36 16.176 -5.014 -0.394 1.00 0.00 C ATOM 557 SG CYS A 36 16.334 -6.076 1.060 1.00 0.00 S ATOM 0 H CYS A 36 16.055 -3.857 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 36 17.789 -5.836 -1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 36 16.695 -4.075 -0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 36 15.123 -4.772 -0.542 1.00 0.00 H new ATOM 0 HG CYS A 36 16.033 -5.398 2.127 1.00 0.00 H new ATOM 563 N ILE A 37 14.824 -6.851 -2.564 1.00 0.00 N ATOM 564 CA ILE A 37 14.039 -8.033 -2.901 1.00 0.00 C ATOM 565 C ILE A 37 14.625 -8.749 -4.116 1.00 0.00 C ATOM 566 O ILE A 37 14.420 -9.947 -4.303 1.00 0.00 O ATOM 567 CB ILE A 37 12.567 -7.667 -3.180 1.00 0.00 C ATOM 568 CG1 ILE A 37 11.967 -6.938 -1.975 1.00 0.00 C ATOM 569 CG2 ILE A 37 11.758 -8.916 -3.507 1.00 0.00 C ATOM 570 CD1 ILE A 37 10.561 -6.425 -2.211 1.00 0.00 C ATOM 0 H ILE A 37 14.384 -5.967 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 37 14.076 -8.701 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 37 12.531 -7.002 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.959 -7.614 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.611 -6.099 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.722 -8.638 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 12.176 -9.399 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 37 11.797 -9.606 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.202 -5.920 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.565 -5.723 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.903 -7.262 -2.444 1.00 0.00 H new ATOM 582 N LEU A 38 15.360 -8.007 -4.936 1.00 0.00 N ATOM 583 CA LEU A 38 15.976 -8.573 -6.131 1.00 0.00 C ATOM 584 C LEU A 38 17.158 -9.461 -5.752 1.00 0.00 C ATOM 585 O LEU A 38 17.286 -10.585 -6.239 1.00 0.00 O ATOM 586 CB LEU A 38 16.435 -7.450 -7.072 1.00 0.00 C ATOM 587 CG LEU A 38 16.629 -7.843 -8.546 1.00 0.00 C ATOM 588 CD1 LEU A 38 17.827 -8.767 -8.714 1.00 0.00 C ATOM 589 CD2 LEU A 38 15.371 -8.496 -9.099 1.00 0.00 C ATOM 0 H LEU A 38 15.544 -7.014 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 38 15.236 -9.184 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.705 -6.642 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.377 -7.050 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 38 16.823 -6.932 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.940 -9.029 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 38 18.728 -8.261 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.672 -9.674 -8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.530 -8.766 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.143 -9.393 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.537 -7.798 -9.028 1.00 0.00 H new ATOM 601 N PHE A 39 18.016 -8.951 -4.874 1.00 0.00 N ATOM 602 CA PHE A 39 19.189 -9.682 -4.429 1.00 0.00 C ATOM 603 C PHE A 39 18.839 -10.701 -3.348 1.00 0.00 C ATOM 604 O PHE A 39 19.079 -11.897 -3.510 1.00 0.00 O ATOM 605 CB PHE A 39 20.231 -8.701 -3.899 1.00 0.00 C ATOM 606 CG PHE A 39 21.225 -8.259 -4.935 1.00 0.00 C ATOM 607 CD1 PHE A 39 20.935 -7.205 -5.785 1.00 0.00 C ATOM 608 CD2 PHE A 39 22.448 -8.899 -5.058 1.00 0.00 C ATOM 609 CE1 PHE A 39 21.847 -6.797 -6.740 1.00 0.00 C ATOM 610 CE2 PHE A 39 23.364 -8.495 -6.010 1.00 0.00 C ATOM 611 CZ PHE A 39 23.063 -7.442 -6.852 1.00 0.00 C ATOM 0 H PHE A 39 17.916 -8.026 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 39 19.593 -10.227 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.722 -7.824 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.765 -9.165 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.986 -6.696 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.688 -9.723 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE A 39 21.609 -5.974 -7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 39 24.314 -9.002 -6.096 1.00 0.00 H new ATOM 0 HZ PHE A 39 23.778 -7.124 -7.597 1.00 0.00 H new ATOM 621 N ASN A 40 18.270 -10.220 -2.247 1.00 0.00 N ATOM 622 CA ASN A 40 17.898 -11.090 -1.137 1.00 0.00 C ATOM 623 C ASN A 40 16.649 -11.902 -1.464 1.00 0.00 C ATOM 624 O ASN A 40 16.699 -13.130 -1.539 1.00 0.00 O ATOM 625 CB ASN A 40 17.666 -10.266 0.132 1.00 0.00 C ATOM 626 CG ASN A 40 18.883 -9.449 0.528 1.00 0.00 C ATOM 627 OD1 ASN A 40 19.670 -9.031 -0.321 1.00 0.00 O ATOM 628 ND2 ASN A 40 19.042 -9.218 1.826 1.00 0.00 N ATOM 0 H ASN A 40 18.057 -9.233 -2.100 1.00 0.00 H new ATOM 0 HA ASN A 40 18.722 -11.784 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.819 -9.598 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.399 -10.934 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 40 19.841 -8.675 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.365 -9.584 2.496 1.00 0.00 H new ATOM 635 N GLY A 41 15.530 -11.211 -1.657 1.00 0.00 N ATOM 636 CA GLY A 41 14.285 -11.889 -1.969 1.00 0.00 C ATOM 637 C GLY A 41 13.252 -11.743 -0.870 1.00 0.00 C ATOM 638 O GLY A 41 13.600 -11.565 0.297 1.00 0.00 O ATOM 0 H GLY A 41 15.463 -10.195 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.880 -11.489 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.484 -12.947 -2.138 1.00 0.00 H new ATOM 642 N GLN A 42 11.979 -11.818 -1.243 1.00 0.00 N ATOM 643 CA GLN A 42 10.890 -11.693 -0.283 1.00 0.00 C ATOM 644 C GLN A 42 10.697 -12.991 0.497 1.00 0.00 C ATOM 645 O GLN A 42 9.787 -13.106 1.316 1.00 0.00 O ATOM 646 CB GLN A 42 9.590 -11.313 -0.998 1.00 0.00 C ATOM 647 CG GLN A 42 9.196 -12.278 -2.104 1.00 0.00 C ATOM 648 CD GLN A 42 7.888 -11.901 -2.777 1.00 0.00 C ATOM 649 OE1 GLN A 42 7.596 -10.606 -2.830 1.00 0.00 O flip ATOM 650 NE2 GLN A 42 7.149 -12.767 -3.246 1.00 0.00 N flip ATOM 0 H GLN A 42 11.676 -11.965 -2.206 1.00 0.00 H new ATOM 0 HA GLN A 42 11.151 -10.904 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.784 -11.265 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.697 -10.314 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.988 -12.309 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.110 -13.282 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.412 -13.750 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.274 -12.501 -3.697 1.00 0.00 H new ATOM 659 N ASP A 43 11.564 -13.966 0.235 1.00 0.00 N ATOM 660 CA ASP A 43 11.494 -15.257 0.911 1.00 0.00 C ATOM 661 C ASP A 43 12.566 -15.368 1.990 1.00 0.00 C ATOM 662 O ASP A 43 12.678 -16.392 2.664 1.00 0.00 O ATOM 663 CB ASP A 43 11.658 -16.392 -0.101 1.00 0.00 C ATOM 664 CG ASP A 43 12.958 -16.291 -0.874 1.00 0.00 C ATOM 665 OD1 ASP A 43 13.975 -16.840 -0.400 1.00 0.00 O ATOM 666 OD2 ASP A 43 12.960 -15.661 -1.952 1.00 0.00 O ATOM 0 H ASP A 43 12.323 -13.886 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 43 10.516 -15.337 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.621 -17.349 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.821 -16.377 -0.799 1.00 0.00 H new ATOM 671 N SER A 44 13.352 -14.307 2.147 1.00 0.00 N ATOM 672 CA SER A 44 14.420 -14.286 3.141 1.00 0.00 C ATOM 673 C SER A 44 13.967 -13.582 4.418 1.00 0.00 C ATOM 674 O SER A 44 13.755 -14.219 5.449 1.00 0.00 O ATOM 675 CB SER A 44 15.657 -13.589 2.574 1.00 0.00 C ATOM 676 OG SER A 44 16.116 -14.237 1.402 1.00 0.00 O ATOM 0 H SER A 44 13.269 -13.451 1.599 1.00 0.00 H new ATOM 0 HA SER A 44 14.671 -15.318 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.421 -12.549 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.449 -13.581 3.323 1.00 0.00 H new ATOM 0 HG SER A 44 16.181 -13.586 0.672 1.00 0.00 H new ATOM 682 N GLU A 45 13.825 -12.262 4.339 1.00 0.00 N ATOM 683 CA GLU A 45 13.397 -11.466 5.482 1.00 0.00 C ATOM 684 C GLU A 45 12.030 -10.843 5.223 1.00 0.00 C ATOM 685 O GLU A 45 11.558 -10.012 6.000 1.00 0.00 O ATOM 686 CB GLU A 45 14.424 -10.369 5.776 1.00 0.00 C ATOM 687 CG GLU A 45 15.802 -10.904 6.129 1.00 0.00 C ATOM 688 CD GLU A 45 15.819 -11.645 7.451 1.00 0.00 C ATOM 689 OE1 GLU A 45 15.473 -12.846 7.464 1.00 0.00 O ATOM 690 OE2 GLU A 45 16.176 -11.025 8.474 1.00 0.00 O ATOM 0 H GLU A 45 14.001 -11.721 3.492 1.00 0.00 H new ATOM 0 HA GLU A 45 13.320 -12.124 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.508 -9.719 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.060 -9.754 6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.142 -11.572 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.509 -10.076 6.172 1.00 0.00 H new ATOM 697 N LYS A 46 11.407 -11.248 4.116 1.00 0.00 N ATOM 698 CA LYS A 46 10.089 -10.746 3.728 1.00 0.00 C ATOM 699 C LYS A 46 10.139 -9.264 3.356 1.00 0.00 C ATOM 700 O LYS A 46 9.157 -8.712 2.860 1.00 0.00 O ATOM 701 CB LYS A 46 9.065 -10.971 4.844 1.00 0.00 C ATOM 702 CG LYS A 46 8.669 -12.429 5.034 1.00 0.00 C ATOM 703 CD LYS A 46 9.781 -13.237 5.686 1.00 0.00 C ATOM 704 CE LYS A 46 9.358 -14.679 5.921 1.00 0.00 C ATOM 705 NZ LYS A 46 8.165 -14.771 6.807 1.00 0.00 N ATOM 0 H LYS A 46 11.799 -11.930 3.466 1.00 0.00 H new ATOM 0 HA LYS A 46 9.778 -11.308 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.473 -10.591 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.171 -10.387 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.771 -12.484 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.421 -12.867 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.667 -13.215 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.057 -12.778 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.137 -15.153 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.185 -15.232 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.317 -15.515 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.017 -13.860 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.326 -15.003 6.237 1.00 0.00 H new ATOM 719 N CYS A 47 11.285 -8.627 3.594 1.00 0.00 N ATOM 720 CA CYS A 47 11.459 -7.210 3.278 1.00 0.00 C ATOM 721 C CYS A 47 10.355 -6.366 3.913 1.00 0.00 C ATOM 722 O CYS A 47 10.097 -5.241 3.484 1.00 0.00 O ATOM 723 CB CYS A 47 11.470 -7.010 1.760 1.00 0.00 C ATOM 724 SG CYS A 47 11.942 -5.346 1.231 1.00 0.00 S ATOM 0 H CYS A 47 12.107 -9.070 4.005 1.00 0.00 H new ATOM 0 HA CYS A 47 12.414 -6.883 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.159 -7.729 1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.478 -7.235 1.369 1.00 0.00 H new ATOM 0 HG CYS A 47 12.653 -4.780 2.161 1.00 0.00 H new ATOM 730 N LYS A 48 9.711 -6.913 4.939 1.00 0.00 N ATOM 731 CA LYS A 48 8.632 -6.213 5.628 1.00 0.00 C ATOM 732 C LYS A 48 9.134 -4.929 6.281 1.00 0.00 C ATOM 733 O LYS A 48 8.392 -3.955 6.405 1.00 0.00 O ATOM 734 CB LYS A 48 7.998 -7.121 6.682 1.00 0.00 C ATOM 735 CG LYS A 48 8.985 -7.636 7.718 1.00 0.00 C ATOM 736 CD LYS A 48 8.314 -8.565 8.719 1.00 0.00 C ATOM 737 CE LYS A 48 7.271 -7.835 9.553 1.00 0.00 C ATOM 738 NZ LYS A 48 6.618 -8.735 10.542 1.00 0.00 N ATOM 0 H LYS A 48 9.918 -7.840 5.312 1.00 0.00 H new ATOM 0 HA LYS A 48 7.880 -5.946 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.204 -6.574 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.531 -7.971 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.796 -8.165 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.432 -6.793 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.842 -9.392 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.068 -8.997 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.743 -7.003 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.514 -7.409 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.915 -8.198 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.146 -9.515 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.336 -9.121 11.187 1.00 0.00 H new ATOM 752 N GLU A 49 10.397 -4.933 6.698 1.00 0.00 N ATOM 753 CA GLU A 49 10.995 -3.770 7.335 1.00 0.00 C ATOM 754 C GLU A 49 10.936 -2.556 6.414 1.00 0.00 C ATOM 755 O GLU A 49 10.551 -1.466 6.833 1.00 0.00 O ATOM 756 CB GLU A 49 12.444 -4.069 7.720 1.00 0.00 C ATOM 757 CG GLU A 49 12.587 -5.198 8.727 1.00 0.00 C ATOM 758 CD GLU A 49 11.875 -4.908 10.034 1.00 0.00 C ATOM 759 OE1 GLU A 49 12.459 -4.209 10.887 1.00 0.00 O ATOM 760 OE2 GLU A 49 10.731 -5.381 10.204 1.00 0.00 O ATOM 0 H GLU A 49 11.025 -5.731 6.605 1.00 0.00 H new ATOM 0 HA GLU A 49 10.427 -3.543 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.005 -4.323 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.895 -3.166 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.188 -6.116 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.645 -5.372 8.925 1.00 0.00 H new ATOM 767 N PHE A 50 11.315 -2.754 5.156 1.00 0.00 N ATOM 768 CA PHE A 50 11.301 -1.674 4.175 1.00 0.00 C ATOM 769 C PHE A 50 9.877 -1.203 3.902 1.00 0.00 C ATOM 770 O PHE A 50 9.645 -0.025 3.628 1.00 0.00 O ATOM 771 CB PHE A 50 11.958 -2.127 2.870 1.00 0.00 C ATOM 772 CG PHE A 50 13.453 -2.249 2.958 1.00 0.00 C ATOM 773 CD1 PHE A 50 14.039 -3.404 3.452 1.00 0.00 C ATOM 774 CD2 PHE A 50 14.270 -1.210 2.547 1.00 0.00 C ATOM 775 CE1 PHE A 50 15.414 -3.519 3.533 1.00 0.00 C ATOM 776 CE2 PHE A 50 15.646 -1.319 2.625 1.00 0.00 C ATOM 777 CZ PHE A 50 16.219 -2.474 3.119 1.00 0.00 C ATOM 0 H PHE A 50 11.635 -3.651 4.792 1.00 0.00 H new ATOM 0 HA PHE A 50 11.869 -0.840 4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.540 -3.091 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.706 -1.418 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.414 -4.223 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 50 13.827 -0.304 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.859 -4.424 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.272 -0.501 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.294 -2.561 3.182 1.00 0.00 H new ATOM 787 N ILE A 51 8.925 -2.129 3.976 1.00 0.00 N ATOM 788 CA ILE A 51 7.524 -1.806 3.733 1.00 0.00 C ATOM 789 C ILE A 51 6.993 -0.818 4.769 1.00 0.00 C ATOM 790 O ILE A 51 6.483 0.245 4.418 1.00 0.00 O ATOM 791 CB ILE A 51 6.643 -3.072 3.748 1.00 0.00 C ATOM 792 CG1 ILE A 51 7.133 -4.069 2.693 1.00 0.00 C ATOM 793 CG2 ILE A 51 5.183 -2.706 3.507 1.00 0.00 C ATOM 794 CD1 ILE A 51 6.368 -5.377 2.686 1.00 0.00 C ATOM 0 H ILE A 51 9.099 -3.108 4.202 1.00 0.00 H new ATOM 0 HA ILE A 51 7.476 -1.349 2.745 1.00 0.00 H new ATOM 0 HB ILE A 51 6.719 -3.542 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.056 -3.609 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.189 -4.277 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.574 -3.610 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.844 -2.028 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.086 -2.218 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.772 -6.031 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.465 -5.861 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.315 -5.182 2.482 1.00 0.00 H new ATOM 806 N GLU A 52 7.116 -1.175 6.044 1.00 0.00 N ATOM 807 CA GLU A 52 6.641 -0.322 7.129 1.00 0.00 C ATOM 808 C GLU A 52 7.407 0.997 7.175 1.00 0.00 C ATOM 809 O GLU A 52 6.815 2.051 7.398 1.00 0.00 O ATOM 810 CB GLU A 52 6.759 -1.050 8.471 1.00 0.00 C ATOM 811 CG GLU A 52 8.162 -1.553 8.772 1.00 0.00 C ATOM 812 CD GLU A 52 8.221 -2.395 10.031 1.00 0.00 C ATOM 813 OE1 GLU A 52 8.276 -1.812 11.133 1.00 0.00 O ATOM 814 OE2 GLU A 52 8.211 -3.639 9.914 1.00 0.00 O ATOM 0 H GLU A 52 7.541 -2.050 6.352 1.00 0.00 H new ATOM 0 HA GLU A 52 5.592 -0.095 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.445 -0.377 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.070 -1.895 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.522 -2.142 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.835 -0.702 8.877 1.00 0.00 H new ATOM 821 N LYS A 53 8.722 0.942 6.972 1.00 0.00 N ATOM 822 CA LYS A 53 9.537 2.154 6.985 1.00 0.00 C ATOM 823 C LYS A 53 9.045 3.124 5.917 1.00 0.00 C ATOM 824 O LYS A 53 8.686 4.263 6.214 1.00 0.00 O ATOM 825 CB LYS A 53 11.012 1.817 6.751 1.00 0.00 C ATOM 826 CG LYS A 53 11.674 1.128 7.934 1.00 0.00 C ATOM 827 CD LYS A 53 13.136 0.816 7.655 1.00 0.00 C ATOM 828 CE LYS A 53 13.806 0.161 8.853 1.00 0.00 C ATOM 829 NZ LYS A 53 13.754 1.029 10.062 1.00 0.00 N ATOM 0 H LYS A 53 9.241 0.081 6.798 1.00 0.00 H new ATOM 0 HA LYS A 53 9.443 2.624 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.095 1.175 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.555 2.735 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.599 1.765 8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.142 0.205 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.209 0.156 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.663 1.736 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.317 -0.790 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.845 -0.062 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.426 0.675 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.007 2.003 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.792 1.015 10.458 1.00 0.00 H new ATOM 843 N TYR A 54 9.028 2.658 4.673 1.00 0.00 N ATOM 844 CA TYR A 54 8.562 3.462 3.550 1.00 0.00 C ATOM 845 C TYR A 54 7.143 3.958 3.814 1.00 0.00 C ATOM 846 O TYR A 54 6.787 5.086 3.469 1.00 0.00 O ATOM 847 CB TYR A 54 8.612 2.622 2.268 1.00 0.00 C ATOM 848 CG TYR A 54 7.862 3.214 1.094 1.00 0.00 C ATOM 849 CD1 TYR A 54 8.486 4.085 0.212 1.00 0.00 C ATOM 850 CD2 TYR A 54 6.531 2.885 0.860 1.00 0.00 C ATOM 851 CE1 TYR A 54 7.806 4.615 -0.869 1.00 0.00 C ATOM 852 CE2 TYR A 54 5.844 3.412 -0.216 1.00 0.00 C ATOM 853 CZ TYR A 54 6.486 4.275 -1.078 1.00 0.00 C ATOM 854 OH TYR A 54 5.806 4.800 -2.153 1.00 0.00 O ATOM 0 H TYR A 54 9.334 1.720 4.416 1.00 0.00 H new ATOM 0 HA TYR A 54 9.210 4.330 3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.654 2.482 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.204 1.634 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.520 4.353 0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.026 2.206 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.306 5.292 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.810 3.149 -0.381 1.00 0.00 H new ATOM 0 HH TYR A 54 6.374 4.760 -2.951 1.00 0.00 H new ATOM 864 N LYS A 55 6.348 3.101 4.442 1.00 0.00 N ATOM 865 CA LYS A 55 4.966 3.419 4.770 1.00 0.00 C ATOM 866 C LYS A 55 4.882 4.622 5.710 1.00 0.00 C ATOM 867 O LYS A 55 4.233 5.621 5.401 1.00 0.00 O ATOM 868 CB LYS A 55 4.304 2.198 5.414 1.00 0.00 C ATOM 869 CG LYS A 55 3.555 1.319 4.425 1.00 0.00 C ATOM 870 CD LYS A 55 2.869 0.155 5.123 1.00 0.00 C ATOM 871 CE LYS A 55 2.202 -0.776 4.123 1.00 0.00 C ATOM 872 NZ LYS A 55 1.490 -1.897 4.798 1.00 0.00 N ATOM 0 H LYS A 55 6.642 2.170 4.737 1.00 0.00 H new ATOM 0 HA LYS A 55 4.442 3.679 3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.068 1.601 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.611 2.535 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.812 1.916 3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.250 0.938 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.600 -0.402 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.124 0.536 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.495 -0.210 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.954 -1.179 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.049 -2.509 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.168 -2.452 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.755 -1.513 5.426 1.00 0.00 H new ATOM 886 N GLU A 56 5.549 4.519 6.854 1.00 0.00 N ATOM 887 CA GLU A 56 5.550 5.588 7.846 1.00 0.00 C ATOM 888 C GLU A 56 6.241 6.841 7.312 1.00 0.00 C ATOM 889 O GLU A 56 6.000 7.946 7.797 1.00 0.00 O ATOM 890 CB GLU A 56 6.244 5.115 9.127 1.00 0.00 C ATOM 891 CG GLU A 56 6.205 6.132 10.258 1.00 0.00 C ATOM 892 CD GLU A 56 4.792 6.467 10.696 1.00 0.00 C ATOM 893 OE1 GLU A 56 4.200 7.405 10.122 1.00 0.00 O ATOM 894 OE2 GLU A 56 4.278 5.790 11.611 1.00 0.00 O ATOM 0 H GLU A 56 6.099 3.702 7.118 1.00 0.00 H new ATOM 0 HA GLU A 56 4.513 5.842 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.773 4.192 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.283 4.878 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.762 5.743 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.708 7.045 9.938 1.00 0.00 H new ATOM 901 N CYS A 57 7.093 6.664 6.306 1.00 0.00 N ATOM 902 CA CYS A 57 7.818 7.787 5.719 1.00 0.00 C ATOM 903 C CYS A 57 6.977 8.494 4.662 1.00 0.00 C ATOM 904 O CYS A 57 7.182 9.676 4.385 1.00 0.00 O ATOM 905 CB CYS A 57 9.135 7.311 5.100 1.00 0.00 C ATOM 906 SG CYS A 57 10.331 6.675 6.296 1.00 0.00 S ATOM 0 H CYS A 57 7.298 5.759 5.882 1.00 0.00 H new ATOM 0 HA CYS A 57 8.034 8.496 6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.919 6.531 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.588 8.140 4.556 1.00 0.00 H new ATOM 0 HG CYS A 57 9.970 5.487 6.680 1.00 0.00 H new ATOM 912 N MET A 58 6.032 7.768 4.072 1.00 0.00 N ATOM 913 CA MET A 58 5.173 8.337 3.041 1.00 0.00 C ATOM 914 C MET A 58 3.804 8.714 3.598 1.00 0.00 C ATOM 915 O MET A 58 3.452 9.892 3.648 1.00 0.00 O ATOM 916 CB MET A 58 5.020 7.352 1.884 1.00 0.00 C ATOM 917 CG MET A 58 6.325 7.075 1.159 1.00 0.00 C ATOM 918 SD MET A 58 7.082 8.577 0.505 1.00 0.00 S ATOM 919 CE MET A 58 8.583 7.917 -0.215 1.00 0.00 C ATOM 0 H MET A 58 5.843 6.790 4.289 1.00 0.00 H new ATOM 0 HA MET A 58 5.646 9.249 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.617 6.414 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.293 7.746 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.021 6.589 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.142 6.378 0.341 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.373 8.665 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.888 7.025 0.333 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.403 7.658 -1.258 1.00 0.00 H new ATOM 929 N LYS A 59 3.035 7.714 4.011 1.00 0.00 N ATOM 930 CA LYS A 59 1.704 7.954 4.560 1.00 0.00 C ATOM 931 C LYS A 59 1.771 8.872 5.776 1.00 0.00 C ATOM 932 O LYS A 59 0.959 9.786 5.919 1.00 0.00 O ATOM 933 CB LYS A 59 1.038 6.638 4.945 1.00 0.00 C ATOM 934 CG LYS A 59 1.009 5.619 3.819 1.00 0.00 C ATOM 935 CD LYS A 59 1.582 4.280 4.257 1.00 0.00 C ATOM 936 CE LYS A 59 0.712 3.610 5.311 1.00 0.00 C ATOM 937 NZ LYS A 59 -0.665 3.348 4.811 1.00 0.00 N ATOM 0 H LYS A 59 3.308 6.732 3.977 1.00 0.00 H new ATOM 0 HA LYS A 59 1.109 8.442 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.565 6.210 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.017 6.838 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.017 5.482 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.578 5.998 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.675 3.624 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.586 4.427 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.172 2.670 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.662 4.244 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.928 2.363 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.334 3.990 5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.698 3.507 3.784 1.00 0.00 H new ATOM 951 N GLY A 60 2.738 8.617 6.651 1.00 0.00 N ATOM 952 CA GLY A 60 2.894 9.431 7.843 1.00 0.00 C ATOM 953 C GLY A 60 3.260 10.864 7.514 1.00 0.00 C ATOM 954 O GLY A 60 4.439 11.219 7.481 1.00 0.00 O ATOM 0 H GLY A 60 3.417 7.861 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.966 9.417 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.666 8.997 8.478 1.00 0.00 H new ATOM 958 N TYR A 61 2.244 11.691 7.273 1.00 0.00 N ATOM 959 CA TYR A 61 2.458 13.093 6.936 1.00 0.00 C ATOM 960 C TYR A 61 3.380 13.223 5.727 1.00 0.00 C ATOM 961 O TYR A 61 4.537 13.627 5.854 1.00 0.00 O ATOM 962 CB TYR A 61 3.045 13.849 8.132 1.00 0.00 C ATOM 963 CG TYR A 61 2.148 13.845 9.349 1.00 0.00 C ATOM 964 CD1 TYR A 61 1.205 14.846 9.545 1.00 0.00 C ATOM 965 CD2 TYR A 61 2.245 12.838 10.302 1.00 0.00 C ATOM 966 CE1 TYR A 61 0.384 14.845 10.657 1.00 0.00 C ATOM 967 CE2 TYR A 61 1.428 12.831 11.417 1.00 0.00 C ATOM 968 CZ TYR A 61 0.500 13.836 11.589 1.00 0.00 C ATOM 969 OH TYR A 61 -0.317 13.832 12.696 1.00 0.00 O ATOM 0 H TYR A 61 1.264 11.411 7.306 1.00 0.00 H new ATOM 0 HA TYR A 61 1.493 13.533 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.005 13.405 8.397 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.241 14.880 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.112 15.638 8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.970 12.049 10.169 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.344 15.630 10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.516 12.042 12.150 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.109 13.053 13.253 1.00 0.00 H new ATOM 979 N GLY A 62 2.860 12.870 4.555 1.00 0.00 N ATOM 980 CA GLY A 62 3.649 12.946 3.340 1.00 0.00 C ATOM 981 C GLY A 62 2.946 13.707 2.233 1.00 0.00 C ATOM 982 O GLY A 62 2.906 14.939 2.249 1.00 0.00 O ATOM 0 H GLY A 62 1.906 12.533 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.601 13.429 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.875 11.937 2.995 1.00 0.00 H new ATOM 986 N PHE A 63 2.386 12.975 1.271 1.00 0.00 N ATOM 987 CA PHE A 63 1.690 13.599 0.149 1.00 0.00 C ATOM 988 C PHE A 63 0.977 12.562 -0.707 1.00 0.00 C ATOM 989 O PHE A 63 -0.072 12.839 -1.291 1.00 0.00 O ATOM 990 CB PHE A 63 2.679 14.385 -0.715 1.00 0.00 C ATOM 991 CG PHE A 63 2.029 15.145 -1.837 1.00 0.00 C ATOM 992 CD1 PHE A 63 1.352 16.329 -1.588 1.00 0.00 C ATOM 993 CD2 PHE A 63 2.096 14.676 -3.139 1.00 0.00 C ATOM 994 CE1 PHE A 63 0.754 17.029 -2.618 1.00 0.00 C ATOM 995 CE2 PHE A 63 1.500 15.373 -4.173 1.00 0.00 C ATOM 996 CZ PHE A 63 0.828 16.551 -3.912 1.00 0.00 C ATOM 0 H PHE A 63 2.401 11.955 1.246 1.00 0.00 H new ATOM 0 HA PHE A 63 0.943 14.279 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.225 15.085 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.412 13.695 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.292 16.708 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.620 13.755 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.229 17.950 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.560 14.997 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.361 17.098 -4.718 1.00 0.00 H new ATOM 1006 N GLU A 64 1.550 11.370 -0.777 1.00 0.00 N ATOM 1007 CA GLU A 64 0.977 10.294 -1.578 1.00 0.00 C ATOM 1008 C GLU A 64 0.625 9.080 -0.725 1.00 0.00 C ATOM 1009 O GLU A 64 0.929 9.032 0.466 1.00 0.00 O ATOM 1010 CB GLU A 64 1.950 9.888 -2.689 1.00 0.00 C ATOM 1011 CG GLU A 64 3.414 9.954 -2.282 1.00 0.00 C ATOM 1012 CD GLU A 64 3.737 9.067 -1.096 1.00 0.00 C ATOM 1013 OE1 GLU A 64 3.560 9.523 0.052 1.00 0.00 O ATOM 1014 OE2 GLU A 64 4.167 7.915 -1.317 1.00 0.00 O ATOM 0 H GLU A 64 2.411 11.121 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 64 0.054 10.668 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.718 8.872 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.793 10.537 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.035 9.661 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.672 10.985 -2.039 1.00 0.00 H new ATOM 1021 N VAL A 65 -0.025 8.104 -1.359 1.00 0.00 N ATOM 1022 CA VAL A 65 -0.434 6.870 -0.695 1.00 0.00 C ATOM 1023 C VAL A 65 -1.497 7.131 0.379 1.00 0.00 C ATOM 1024 O VAL A 65 -1.349 8.035 1.202 1.00 0.00 O ATOM 1025 CB VAL A 65 0.769 6.144 -0.059 1.00 0.00 C ATOM 1026 CG1 VAL A 65 0.326 4.853 0.614 1.00 0.00 C ATOM 1027 CG2 VAL A 65 1.836 5.865 -1.107 1.00 0.00 C ATOM 0 H VAL A 65 -0.282 8.148 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.864 6.231 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 65 1.197 6.794 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.191 4.358 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.400 5.080 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.130 4.195 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.678 5.352 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.418 5.236 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.178 6.806 -1.538 1.00 0.00 H new ATOM 1037 N PRO A 66 -2.590 6.338 0.382 1.00 0.00 N ATOM 1038 CA PRO A 66 -3.680 6.483 1.353 1.00 0.00 C ATOM 1039 C PRO A 66 -3.297 5.960 2.735 1.00 0.00 C ATOM 1040 O PRO A 66 -2.119 5.769 3.032 1.00 0.00 O ATOM 1041 CB PRO A 66 -4.817 5.631 0.762 1.00 0.00 C ATOM 1042 CG PRO A 66 -4.361 5.235 -0.605 1.00 0.00 C ATOM 1043 CD PRO A 66 -2.865 5.244 -0.556 1.00 0.00 C ATOM 0 HA PRO A 66 -3.948 7.529 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.010 4.754 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.747 6.198 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.737 4.247 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.732 5.931 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.464 4.294 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.427 5.429 -1.537 1.00 0.00 H new ATOM 1051 N SER A 67 -4.304 5.730 3.573 1.00 0.00 N ATOM 1052 CA SER A 67 -4.078 5.227 4.924 1.00 0.00 C ATOM 1053 C SER A 67 -4.736 3.864 5.114 1.00 0.00 C ATOM 1054 O SER A 67 -5.961 3.757 5.169 1.00 0.00 O ATOM 1055 CB SER A 67 -4.621 6.215 5.958 1.00 0.00 C ATOM 1056 OG SER A 67 -4.411 5.742 7.277 1.00 0.00 O ATOM 0 H SER A 67 -5.285 5.884 3.340 1.00 0.00 H new ATOM 0 HA SER A 67 -3.003 5.116 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.133 7.181 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.686 6.372 5.790 1.00 0.00 H new ATOM 0 HG SER A 67 -4.766 6.393 7.918 1.00 0.00 H new ATOM 1062 N ALA A 68 -3.913 2.823 5.213 1.00 0.00 N ATOM 1063 CA ALA A 68 -4.415 1.468 5.399 1.00 0.00 C ATOM 1064 C ALA A 68 -4.182 0.988 6.828 1.00 0.00 C ATOM 1065 O ALA A 68 -4.729 -0.032 7.247 1.00 0.00 O ATOM 1066 CB ALA A 68 -3.756 0.520 4.409 1.00 0.00 C ATOM 0 H ALA A 68 -2.896 2.894 5.167 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.490 1.477 5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.141 -0.489 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.977 0.844 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.677 0.524 4.565 1.00 0.00 H new ATOM 1072 N ASN A 69 -3.368 1.731 7.572 1.00 0.00 N ATOM 1073 CA ASN A 69 -3.063 1.382 8.955 1.00 0.00 C ATOM 1074 C ASN A 69 -4.290 1.563 9.844 1.00 0.00 C ATOM 1075 O ASN A 69 -5.040 0.581 10.022 1.00 0.00 O ATOM 1076 CB ASN A 69 -1.905 2.235 9.478 1.00 0.00 C ATOM 1077 CG ASN A 69 -0.619 2.003 8.708 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -0.642 1.718 7.511 1.00 0.00 O ATOM 1079 ND2 ASN A 69 0.511 2.122 9.395 1.00 0.00 N ATOM 1080 OXT ASN A 69 -4.490 2.686 10.355 1.00 0.00 O ATOM 0 H ASN A 69 -2.908 2.579 7.240 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.769 0.333 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.177 3.289 9.416 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.739 2.010 10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.408 1.975 8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.482 2.360 10.386 1.00 0.00 H new TER 1087 ASN A 69 HETATM 1088 CU CU1 A 70 4.291 6.092 -5.911 1.00 0.00 CU