USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 824 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: B 396 GLN : amide:sc= -0.0246 X(o=-1.9,f=-2.3) USER MOD Set 1.2: B 397 ASN : amide:sc= -1.87 X(o=-1.9,f=-2.3) USER MOD Set 2.1: A 629 LYS NZ :NH3+ -169:sc= 0.254 (180deg=0) USER MOD Set 2.2: A 674 CYS SG : rot 74:sc= 0.0223 USER MOD Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot -100:sc= 0.0584 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 133:sc= -1.48 (180deg=-3.11!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -154:sc= -0.848 (180deg=-1.51) USER MOD Single : A 617 GLN : amide:sc= 0.0534 K(o=0.053,f=-4.5!) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 623 ASN : amide:sc= -6.89! C(o=-6.9!,f=-5.3!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 638 GLN : amide:sc= -3.98! K(o=-4!,f=-1.2) USER MOD Single : A 639 SER OG : rot -111:sc= 0.553 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.23) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 663 THR OG1 : rot 150:sc= -0.138 USER MOD Single : A 670 TYR OH : rot 180:sc= -0.0612 USER MOD Single : A 672 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 677 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0159) USER MOD Single : A 678 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0736) USER MOD Single : B 389 THR OG1 : rot 9:sc= 0.809 USER MOD Single : B 393 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0.282 USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -3.474 9.861 7.330 1.00 54.55 N ATOM 2 CA GLU A 600 -4.245 11.095 7.233 1.00 42.50 C ATOM 3 C GLU A 600 -5.567 10.971 7.986 1.00 21.11 C ATOM 4 O GLU A 600 -5.913 11.829 8.798 1.00 53.43 O ATOM 5 CB GLU A 600 -4.512 11.443 5.767 1.00 1.32 C ATOM 6 CG GLU A 600 -4.065 12.844 5.383 1.00 1.51 C ATOM 7 CD GLU A 600 -2.559 12.956 5.238 1.00 40.31 C ATOM 8 OE1 GLU A 600 -1.891 11.904 5.167 1.00 44.25 O ATOM 9 OE2 GLU A 600 -2.050 14.096 5.196 1.00 11.44 O ATOM 0 HA GLU A 600 -3.660 11.895 7.688 1.00 42.50 H new ATOM 0 HB2 GLU A 600 -4.000 10.720 5.132 1.00 1.32 H new ATOM 0 HB3 GLU A 600 -5.579 11.343 5.567 1.00 1.32 H new ATOM 0 HG2 GLU A 600 -4.539 13.128 4.443 1.00 1.51 H new ATOM 0 HG3 GLU A 600 -4.407 13.551 6.139 1.00 1.51 H new ATOM 16 N SER A 601 -6.300 9.898 7.710 1.00 62.11 N ATOM 17 CA SER A 601 -7.585 9.663 8.357 1.00 23.33 C ATOM 18 C SER A 601 -7.422 8.763 9.580 1.00 45.44 C ATOM 19 O SER A 601 -7.484 9.229 10.717 1.00 70.33 O ATOM 20 CB SER A 601 -8.568 9.028 7.371 1.00 1.32 C ATOM 21 OG SER A 601 -9.370 10.015 6.746 1.00 72.35 O ATOM 0 H SER A 601 -6.026 9.177 7.042 1.00 62.11 H new ATOM 0 HA SER A 601 -7.980 10.625 8.685 1.00 23.33 H new ATOM 0 HB2 SER A 601 -8.019 8.468 6.614 1.00 1.32 H new ATOM 0 HB3 SER A 601 -9.205 8.315 7.895 1.00 1.32 H new ATOM 0 HG SER A 601 -9.989 9.585 6.119 1.00 72.35 H new ATOM 27 N GLU A 602 -7.211 7.475 9.334 1.00 73.32 N ATOM 28 CA GLU A 602 -7.040 6.510 10.415 1.00 62.54 C ATOM 29 C GLU A 602 -8.183 6.611 11.420 1.00 23.01 C ATOM 30 O GLU A 602 -7.984 6.429 12.621 1.00 61.34 O ATOM 31 CB GLU A 602 -5.702 6.735 11.122 1.00 52.44 C ATOM 32 CG GLU A 602 -4.524 6.859 10.170 1.00 12.00 C ATOM 33 CD GLU A 602 -3.188 6.789 10.884 1.00 41.14 C ATOM 34 OE1 GLU A 602 -3.162 6.995 12.115 1.00 74.00 O ATOM 35 OE2 GLU A 602 -2.168 6.528 10.211 1.00 71.02 O ATOM 0 H GLU A 602 -7.154 7.075 8.398 1.00 73.32 H new ATOM 0 HA GLU A 602 -7.049 5.510 9.981 1.00 62.54 H new ATOM 0 HB2 GLU A 602 -5.767 7.640 11.726 1.00 52.44 H new ATOM 0 HB3 GLU A 602 -5.519 5.907 11.807 1.00 52.44 H new ATOM 0 HG2 GLU A 602 -4.577 6.063 9.427 1.00 12.00 H new ATOM 0 HG3 GLU A 602 -4.595 7.804 9.631 1.00 12.00 H new ATOM 42 N GLU A 603 -9.379 6.903 10.921 1.00 52.30 N ATOM 43 CA GLU A 603 -10.553 7.031 11.776 1.00 74.40 C ATOM 44 C GLU A 603 -11.794 7.365 10.952 1.00 41.15 C ATOM 45 O GLU A 603 -12.663 8.115 11.395 1.00 5.12 O ATOM 46 CB GLU A 603 -10.326 8.110 12.836 1.00 43.32 C ATOM 47 CG GLU A 603 -10.803 7.712 14.222 1.00 4.14 C ATOM 48 CD GLU A 603 -10.885 8.891 15.172 1.00 30.14 C ATOM 49 OE1 GLU A 603 -11.936 9.566 15.189 1.00 42.33 O ATOM 50 OE2 GLU A 603 -9.900 9.139 15.898 1.00 4.24 O ATOM 0 H GLU A 603 -9.561 7.055 9.929 1.00 52.30 H new ATOM 0 HA GLU A 603 -10.714 6.074 12.272 1.00 74.40 H new ATOM 0 HB2 GLU A 603 -9.263 8.345 12.881 1.00 43.32 H new ATOM 0 HB3 GLU A 603 -10.841 9.021 12.531 1.00 43.32 H new ATOM 0 HG2 GLU A 603 -11.784 7.244 14.144 1.00 4.14 H new ATOM 0 HG3 GLU A 603 -10.126 6.964 14.634 1.00 4.14 H new ATOM 57 N GLU A 604 -11.867 6.802 9.749 1.00 53.42 N ATOM 58 CA GLU A 604 -13.000 7.042 8.862 1.00 23.24 C ATOM 59 C GLU A 604 -14.195 6.181 9.261 1.00 3.32 C ATOM 60 O GLU A 604 -14.047 4.998 9.566 1.00 64.02 O ATOM 61 CB GLU A 604 -12.610 6.753 7.411 1.00 23.14 C ATOM 62 CG GLU A 604 -13.006 7.855 6.443 1.00 73.23 C ATOM 63 CD GLU A 604 -12.491 7.609 5.039 1.00 51.25 C ATOM 64 OE1 GLU A 604 -12.578 6.457 4.566 1.00 1.33 O ATOM 65 OE2 GLU A 604 -12.001 8.572 4.410 1.00 72.31 O ATOM 0 H GLU A 604 -11.156 6.178 9.367 1.00 53.42 H new ATOM 0 HA GLU A 604 -13.284 8.091 8.952 1.00 23.24 H new ATOM 0 HB2 GLU A 604 -11.532 6.603 7.356 1.00 23.14 H new ATOM 0 HB3 GLU A 604 -13.078 5.820 7.097 1.00 23.14 H new ATOM 0 HG2 GLU A 604 -14.092 7.939 6.418 1.00 73.23 H new ATOM 0 HG3 GLU A 604 -12.621 8.808 6.806 1.00 73.23 H new ATOM 72 N ASP A 605 -15.378 6.785 9.257 1.00 21.43 N ATOM 73 CA ASP A 605 -16.599 6.074 9.619 1.00 53.05 C ATOM 74 C ASP A 605 -17.269 5.482 8.382 1.00 14.42 C ATOM 75 O ASP A 605 -17.873 4.411 8.442 1.00 5.55 O ATOM 76 CB ASP A 605 -17.568 7.014 10.338 1.00 2.41 C ATOM 77 CG ASP A 605 -18.876 6.336 10.694 1.00 31.45 C ATOM 78 OD1 ASP A 605 -18.840 5.159 11.111 1.00 4.43 O ATOM 79 OD2 ASP A 605 -19.937 6.980 10.557 1.00 40.53 O ATOM 0 H ASP A 605 -15.518 7.764 9.007 1.00 21.43 H new ATOM 0 HA ASP A 605 -16.330 5.259 10.291 1.00 53.05 H new ATOM 0 HB2 ASP A 605 -17.098 7.390 11.247 1.00 2.41 H new ATOM 0 HB3 ASP A 605 -17.770 7.877 9.704 1.00 2.41 H new ATOM 84 N LYS A 606 -17.160 6.188 7.262 1.00 54.01 N ATOM 85 CA LYS A 606 -17.754 5.735 6.010 1.00 54.00 C ATOM 86 C LYS A 606 -16.747 4.939 5.186 1.00 52.52 C ATOM 87 O LYS A 606 -16.919 4.764 3.979 1.00 4.50 O ATOM 88 CB LYS A 606 -18.262 6.929 5.200 1.00 53.24 C ATOM 89 CG LYS A 606 -17.154 7.834 4.691 1.00 10.43 C ATOM 90 CD LYS A 606 -17.598 9.287 4.644 1.00 42.44 C ATOM 91 CE LYS A 606 -16.613 10.195 5.364 1.00 54.31 C ATOM 92 NZ LYS A 606 -16.551 11.549 4.746 1.00 71.23 N ATOM 0 H LYS A 606 -16.665 7.077 7.196 1.00 54.01 H new ATOM 0 HA LYS A 606 -18.595 5.084 6.251 1.00 54.00 H new ATOM 0 HB2 LYS A 606 -18.839 6.562 4.351 1.00 53.24 H new ATOM 0 HB3 LYS A 606 -18.942 7.514 5.819 1.00 53.24 H new ATOM 0 HG2 LYS A 606 -16.281 7.740 5.337 1.00 10.43 H new ATOM 0 HG3 LYS A 606 -16.850 7.513 3.695 1.00 10.43 H new ATOM 0 HD2 LYS A 606 -17.696 9.605 3.606 1.00 42.44 H new ATOM 0 HD3 LYS A 606 -18.583 9.382 5.101 1.00 42.44 H new ATOM 0 HE2 LYS A 606 -16.902 10.287 6.411 1.00 54.31 H new ATOM 0 HE3 LYS A 606 -15.622 9.742 5.346 1.00 54.31 H new ATOM 0 HZ1 LYS A 606 -15.869 12.137 5.266 1.00 71.23 H new ATOM 0 HZ2 LYS A 606 -16.250 11.464 3.754 1.00 71.23 H new ATOM 0 HZ3 LYS A 606 -17.491 11.992 4.786 1.00 71.23 H new ATOM 106 N CYS A 607 -15.699 4.460 5.845 1.00 45.41 N ATOM 107 CA CYS A 607 -14.663 3.683 5.172 1.00 32.23 C ATOM 108 C CYS A 607 -15.278 2.553 4.352 1.00 12.42 C ATOM 109 O CYS A 607 -15.762 1.563 4.902 1.00 42.55 O ATOM 110 CB CYS A 607 -13.682 3.110 6.196 1.00 64.43 C ATOM 111 SG CYS A 607 -14.473 2.290 7.599 1.00 21.44 S ATOM 0 H CYS A 607 -15.543 4.595 6.844 1.00 45.41 H new ATOM 0 HA CYS A 607 -14.125 4.348 4.496 1.00 32.23 H new ATOM 0 HB2 CYS A 607 -13.026 2.398 5.695 1.00 64.43 H new ATOM 0 HB3 CYS A 607 -13.051 3.917 6.569 1.00 64.43 H new ATOM 0 HG CYS A 607 -14.489 3.095 8.620 1.00 21.44 H new ATOM 117 N LYS A 608 -15.258 2.710 3.033 1.00 63.42 N ATOM 118 CA LYS A 608 -15.813 1.704 2.134 1.00 42.54 C ATOM 119 C LYS A 608 -14.800 0.596 1.865 1.00 53.21 C ATOM 120 O LYS A 608 -13.588 0.800 1.934 1.00 21.14 O ATOM 121 CB LYS A 608 -16.241 2.351 0.815 1.00 44.45 C ATOM 122 CG LYS A 608 -17.009 3.649 0.994 1.00 54.01 C ATOM 123 CD LYS A 608 -18.286 3.435 1.788 1.00 14.31 C ATOM 124 CE LYS A 608 -19.086 4.723 1.914 1.00 33.22 C ATOM 125 NZ LYS A 608 -20.410 4.621 1.240 1.00 14.41 N ATOM 0 H LYS A 608 -14.863 3.524 2.562 1.00 63.42 H new ATOM 0 HA LYS A 608 -16.686 1.264 2.616 1.00 42.54 H new ATOM 0 HB2 LYS A 608 -15.355 2.544 0.210 1.00 44.45 H new ATOM 0 HB3 LYS A 608 -16.859 1.647 0.259 1.00 44.45 H new ATOM 0 HG2 LYS A 608 -16.380 4.378 1.505 1.00 54.01 H new ATOM 0 HG3 LYS A 608 -17.252 4.067 0.017 1.00 54.01 H new ATOM 0 HD2 LYS A 608 -18.895 2.673 1.301 1.00 14.31 H new ATOM 0 HD3 LYS A 608 -18.040 3.060 2.781 1.00 14.31 H new ATOM 0 HE2 LYS A 608 -19.232 4.958 2.968 1.00 33.22 H new ATOM 0 HE3 LYS A 608 -18.520 5.547 1.479 1.00 33.22 H new ATOM 0 HZ1 LYS A 608 -20.925 5.518 1.348 1.00 14.41 H new ATOM 0 HZ2 LYS A 608 -20.270 4.422 0.229 1.00 14.41 H new ATOM 0 HZ3 LYS A 608 -20.961 3.852 1.672 1.00 14.41 H new ATOM 139 N PRO A 609 -15.307 -0.605 1.549 1.00 23.21 N ATOM 140 CA PRO A 609 -14.462 -1.769 1.260 1.00 15.34 C ATOM 141 C PRO A 609 -13.713 -1.628 -0.059 1.00 41.04 C ATOM 142 O PRO A 609 -14.191 -0.979 -0.989 1.00 71.45 O ATOM 143 CB PRO A 609 -15.464 -2.924 1.187 1.00 74.03 C ATOM 144 CG PRO A 609 -16.755 -2.281 0.810 1.00 23.44 C ATOM 145 CD PRO A 609 -16.741 -0.920 1.448 1.00 2.31 C ATOM 0 HA PRO A 609 -13.686 -1.907 2.013 1.00 15.34 H new ATOM 0 HB2 PRO A 609 -15.160 -3.666 0.448 1.00 74.03 H new ATOM 0 HB3 PRO A 609 -15.543 -3.441 2.143 1.00 74.03 H new ATOM 0 HG2 PRO A 609 -16.851 -2.203 -0.273 1.00 23.44 H new ATOM 0 HG3 PRO A 609 -17.602 -2.869 1.164 1.00 23.44 H new ATOM 0 HD2 PRO A 609 -17.272 -0.186 0.841 1.00 2.31 H new ATOM 0 HD3 PRO A 609 -17.220 -0.930 2.427 1.00 2.31 H new ATOM 153 N MET A 610 -12.535 -2.240 -0.134 1.00 62.41 N ATOM 154 CA MET A 610 -11.720 -2.185 -1.343 1.00 11.53 C ATOM 155 C MET A 610 -11.555 -3.573 -1.952 1.00 12.55 C ATOM 156 O MET A 610 -10.825 -4.410 -1.423 1.00 24.13 O ATOM 157 CB MET A 610 -10.348 -1.585 -1.030 1.00 64.30 C ATOM 158 CG MET A 610 -10.414 -0.181 -0.454 1.00 13.43 C ATOM 159 SD MET A 610 -10.160 1.095 -1.702 1.00 41.31 S ATOM 160 CE MET A 610 -8.435 0.834 -2.106 1.00 3.13 C ATOM 0 H MET A 610 -12.124 -2.779 0.628 1.00 62.41 H new ATOM 0 HA MET A 610 -12.230 -1.550 -2.067 1.00 11.53 H new ATOM 0 HB2 MET A 610 -9.830 -2.234 -0.324 1.00 64.30 H new ATOM 0 HB3 MET A 610 -9.752 -1.566 -1.943 1.00 64.30 H new ATOM 0 HG2 MET A 610 -11.384 -0.032 0.020 1.00 13.43 H new ATOM 0 HG3 MET A 610 -9.659 -0.077 0.326 1.00 13.43 H new ATOM 0 HE1 MET A 610 -8.313 0.820 -3.189 1.00 3.13 H new ATOM 0 HE2 MET A 610 -7.836 1.641 -1.684 1.00 3.13 H new ATOM 0 HE3 MET A 610 -8.104 -0.118 -1.691 1.00 3.13 H new ATOM 170 N SER A 611 -12.239 -3.810 -3.066 1.00 51.25 N ATOM 171 CA SER A 611 -12.172 -5.098 -3.745 1.00 64.33 C ATOM 172 C SER A 611 -10.817 -5.285 -4.422 1.00 63.14 C ATOM 173 O SER A 611 -10.133 -4.314 -4.747 1.00 12.14 O ATOM 174 CB SER A 611 -13.292 -5.213 -4.781 1.00 71.13 C ATOM 175 OG SER A 611 -13.988 -6.440 -4.646 1.00 23.21 O ATOM 0 H SER A 611 -12.846 -3.126 -3.518 1.00 51.25 H new ATOM 0 HA SER A 611 -12.297 -5.881 -2.997 1.00 64.33 H new ATOM 0 HB2 SER A 611 -13.987 -4.382 -4.663 1.00 71.13 H new ATOM 0 HB3 SER A 611 -12.873 -5.138 -5.784 1.00 71.13 H new ATOM 0 HG SER A 611 -14.700 -6.488 -5.318 1.00 23.21 H new ATOM 181 N TYR A 612 -10.436 -6.540 -4.632 1.00 24.14 N ATOM 182 CA TYR A 612 -9.162 -6.857 -5.268 1.00 55.33 C ATOM 183 C TYR A 612 -8.982 -6.055 -6.553 1.00 52.02 C ATOM 184 O TYR A 612 -7.863 -5.705 -6.927 1.00 24.41 O ATOM 185 CB TYR A 612 -9.077 -8.353 -5.570 1.00 32.40 C ATOM 186 CG TYR A 612 -10.320 -8.911 -6.226 1.00 21.44 C ATOM 187 CD1 TYR A 612 -10.523 -8.790 -7.595 1.00 0.33 C ATOM 188 CD2 TYR A 612 -11.293 -9.560 -5.475 1.00 25.12 C ATOM 189 CE1 TYR A 612 -11.658 -9.296 -8.196 1.00 62.12 C ATOM 190 CE2 TYR A 612 -12.431 -10.072 -6.068 1.00 42.55 C ATOM 191 CZ TYR A 612 -12.609 -9.937 -7.430 1.00 3.21 C ATOM 192 OH TYR A 612 -13.740 -10.445 -8.025 1.00 70.05 O ATOM 0 H TYR A 612 -10.991 -7.355 -4.371 1.00 24.14 H new ATOM 0 HA TYR A 612 -8.362 -6.588 -4.578 1.00 55.33 H new ATOM 0 HB2 TYR A 612 -8.221 -8.536 -6.219 1.00 32.40 H new ATOM 0 HB3 TYR A 612 -8.893 -8.893 -4.641 1.00 32.40 H new ATOM 0 HD1 TYR A 612 -9.780 -8.291 -8.200 1.00 0.33 H new ATOM 0 HD2 TYR A 612 -11.157 -9.666 -4.409 1.00 25.12 H new ATOM 0 HE1 TYR A 612 -11.801 -9.190 -9.261 1.00 62.12 H new ATOM 0 HE2 TYR A 612 -13.176 -10.575 -5.470 1.00 42.55 H new ATOM 0 HH TYR A 612 -14.306 -10.866 -7.345 1.00 70.05 H new ATOM 202 N GLU A 613 -10.093 -5.768 -7.225 1.00 23.42 N ATOM 203 CA GLU A 613 -10.057 -5.009 -8.470 1.00 20.14 C ATOM 204 C GLU A 613 -9.406 -3.645 -8.256 1.00 3.10 C ATOM 205 O GLU A 613 -8.365 -3.346 -8.840 1.00 0.33 O ATOM 206 CB GLU A 613 -11.472 -4.829 -9.023 1.00 41.03 C ATOM 207 CG GLU A 613 -11.627 -5.294 -10.461 1.00 61.24 C ATOM 208 CD GLU A 613 -12.868 -6.140 -10.670 1.00 75.44 C ATOM 209 OE1 GLU A 613 -13.918 -5.809 -10.081 1.00 75.30 O ATOM 210 OE2 GLU A 613 -12.789 -7.132 -11.424 1.00 63.11 O ATOM 0 H GLU A 613 -11.028 -6.049 -6.929 1.00 23.42 H new ATOM 0 HA GLU A 613 -9.461 -5.569 -9.191 1.00 20.14 H new ATOM 0 HB2 GLU A 613 -12.172 -5.380 -8.394 1.00 41.03 H new ATOM 0 HB3 GLU A 613 -11.747 -3.776 -8.959 1.00 41.03 H new ATOM 0 HG2 GLU A 613 -11.670 -4.425 -11.117 1.00 61.24 H new ATOM 0 HG3 GLU A 613 -10.747 -5.869 -10.750 1.00 61.24 H new ATOM 217 N GLU A 614 -10.028 -2.824 -7.416 1.00 45.13 N ATOM 218 CA GLU A 614 -9.509 -1.491 -7.128 1.00 30.44 C ATOM 219 C GLU A 614 -8.235 -1.574 -6.291 1.00 61.01 C ATOM 220 O GLU A 614 -7.356 -0.718 -6.392 1.00 63.45 O ATOM 221 CB GLU A 614 -10.562 -0.658 -6.393 1.00 62.11 C ATOM 222 CG GLU A 614 -11.640 -0.098 -7.306 1.00 23.43 C ATOM 223 CD GLU A 614 -11.072 0.749 -8.428 1.00 62.33 C ATOM 224 OE1 GLU A 614 -10.055 1.437 -8.195 1.00 22.53 O ATOM 225 OE2 GLU A 614 -11.643 0.725 -9.538 1.00 1.22 O ATOM 0 H GLU A 614 -10.890 -3.057 -6.924 1.00 45.13 H new ATOM 0 HA GLU A 614 -9.271 -1.008 -8.076 1.00 30.44 H new ATOM 0 HB2 GLU A 614 -11.031 -1.275 -5.626 1.00 62.11 H new ATOM 0 HB3 GLU A 614 -10.068 0.167 -5.880 1.00 62.11 H new ATOM 0 HG2 GLU A 614 -12.214 -0.921 -7.732 1.00 23.43 H new ATOM 0 HG3 GLU A 614 -12.333 0.503 -6.717 1.00 23.43 H new ATOM 232 N LYS A 615 -8.144 -2.609 -5.463 1.00 11.34 N ATOM 233 CA LYS A 615 -6.978 -2.806 -4.608 1.00 14.42 C ATOM 234 C LYS A 615 -5.726 -3.052 -5.444 1.00 10.52 C ATOM 235 O LYS A 615 -4.697 -2.407 -5.241 1.00 24.43 O ATOM 236 CB LYS A 615 -7.210 -3.982 -3.658 1.00 73.41 C ATOM 237 CG LYS A 615 -8.115 -3.647 -2.484 1.00 42.12 C ATOM 238 CD LYS A 615 -7.939 -4.637 -1.345 1.00 71.23 C ATOM 239 CE LYS A 615 -8.453 -6.018 -1.722 1.00 72.11 C ATOM 240 NZ LYS A 615 -7.365 -6.893 -2.240 1.00 54.52 N ATOM 0 H LYS A 615 -8.864 -3.325 -5.365 1.00 11.34 H new ATOM 0 HA LYS A 615 -6.830 -1.899 -4.023 1.00 14.42 H new ATOM 0 HB2 LYS A 615 -7.646 -4.810 -4.218 1.00 73.41 H new ATOM 0 HB3 LYS A 615 -6.248 -4.326 -3.278 1.00 73.41 H new ATOM 0 HG2 LYS A 615 -7.895 -2.640 -2.129 1.00 42.12 H new ATOM 0 HG3 LYS A 615 -9.154 -3.649 -2.812 1.00 42.12 H new ATOM 0 HD2 LYS A 615 -6.884 -4.701 -1.077 1.00 71.23 H new ATOM 0 HD3 LYS A 615 -8.471 -4.278 -0.464 1.00 71.23 H new ATOM 0 HE2 LYS A 615 -8.911 -6.485 -0.850 1.00 72.11 H new ATOM 0 HE3 LYS A 615 -9.232 -5.921 -2.478 1.00 72.11 H new ATOM 0 HZ1 LYS A 615 -7.770 -7.613 -2.872 1.00 54.52 H new ATOM 0 HZ2 LYS A 615 -6.677 -6.317 -2.766 1.00 54.52 H new ATOM 0 HZ3 LYS A 615 -6.887 -7.361 -1.444 1.00 54.52 H new ATOM 254 N ARG A 616 -5.822 -3.986 -6.384 1.00 53.11 N ATOM 255 CA ARG A 616 -4.696 -4.316 -7.250 1.00 33.23 C ATOM 256 C ARG A 616 -4.193 -3.077 -7.984 1.00 34.03 C ATOM 257 O ARG A 616 -3.004 -2.959 -8.277 1.00 50.13 O ATOM 258 CB ARG A 616 -5.102 -5.391 -8.261 1.00 10.41 C ATOM 259 CG ARG A 616 -5.763 -4.833 -9.510 1.00 41.44 C ATOM 260 CD ARG A 616 -4.747 -4.587 -10.615 1.00 1.42 C ATOM 261 NE ARG A 616 -5.180 -5.149 -11.892 1.00 11.21 N ATOM 262 CZ ARG A 616 -4.654 -4.804 -13.062 1.00 62.24 C ATOM 263 NH1 ARG A 616 -3.682 -3.905 -13.117 1.00 41.44 N ATOM 264 NH2 ARG A 616 -5.101 -5.360 -14.181 1.00 73.22 N ATOM 0 H ARG A 616 -6.667 -4.527 -6.566 1.00 53.11 H new ATOM 0 HA ARG A 616 -3.889 -4.699 -6.625 1.00 33.23 H new ATOM 0 HB2 ARG A 616 -4.217 -5.958 -8.551 1.00 10.41 H new ATOM 0 HB3 ARG A 616 -5.786 -6.091 -7.780 1.00 10.41 H new ATOM 0 HG2 ARG A 616 -6.524 -5.529 -9.862 1.00 41.44 H new ATOM 0 HG3 ARG A 616 -6.272 -3.900 -9.268 1.00 41.44 H new ATOM 0 HD2 ARG A 616 -4.586 -3.515 -10.727 1.00 1.42 H new ATOM 0 HD3 ARG A 616 -3.790 -5.025 -10.332 1.00 1.42 H new ATOM 0 HE ARG A 616 -5.927 -5.844 -11.885 1.00 11.21 H new ATOM 0 HH11 ARG A 616 -3.335 -3.476 -12.259 1.00 41.44 H new ATOM 0 HH12 ARG A 616 -3.280 -3.643 -14.017 1.00 41.44 H new ATOM 0 HH21 ARG A 616 -5.849 -6.053 -14.143 1.00 73.22 H new ATOM 0 HH22 ARG A 616 -4.697 -5.095 -15.079 1.00 73.22 H new ATOM 278 N GLN A 617 -5.106 -2.156 -8.275 1.00 74.44 N ATOM 279 CA GLN A 617 -4.753 -0.926 -8.975 1.00 75.12 C ATOM 280 C GLN A 617 -3.787 -0.086 -8.147 1.00 61.41 C ATOM 281 O GLN A 617 -2.848 0.507 -8.682 1.00 34.40 O ATOM 282 CB GLN A 617 -6.012 -0.115 -9.290 1.00 23.10 C ATOM 283 CG GLN A 617 -6.062 0.401 -10.718 1.00 43.33 C ATOM 284 CD GLN A 617 -4.721 0.925 -11.196 1.00 55.31 C ATOM 285 OE1 GLN A 617 -3.893 0.170 -11.706 1.00 1.11 O ATOM 286 NE2 GLN A 617 -4.501 2.225 -11.034 1.00 32.11 N ATOM 0 H GLN A 617 -6.095 -2.238 -8.037 1.00 74.44 H new ATOM 0 HA GLN A 617 -4.260 -1.198 -9.909 1.00 75.12 H new ATOM 0 HB2 GLN A 617 -6.889 -0.735 -9.106 1.00 23.10 H new ATOM 0 HB3 GLN A 617 -6.070 0.731 -8.605 1.00 23.10 H new ATOM 0 HG2 GLN A 617 -6.391 -0.401 -11.379 1.00 43.33 H new ATOM 0 HG3 GLN A 617 -6.804 1.196 -10.787 1.00 43.33 H new ATOM 0 HE21 GLN A 617 -5.216 2.814 -10.606 1.00 32.11 H new ATOM 0 HE22 GLN A 617 -3.617 2.634 -11.337 1.00 32.11 H new ATOM 295 N LEU A 618 -4.021 -0.040 -6.840 1.00 42.03 N ATOM 296 CA LEU A 618 -3.171 0.729 -5.937 1.00 64.45 C ATOM 297 C LEU A 618 -1.733 0.221 -5.981 1.00 45.33 C ATOM 298 O LEU A 618 -0.792 1.004 -6.118 1.00 61.35 O ATOM 299 CB LEU A 618 -3.708 0.649 -4.507 1.00 53.24 C ATOM 300 CG LEU A 618 -4.786 1.670 -4.138 1.00 23.12 C ATOM 301 CD1 LEU A 618 -4.280 3.085 -4.369 1.00 13.32 C ATOM 302 CD2 LEU A 618 -6.056 1.417 -4.936 1.00 43.35 C ATOM 0 H LEU A 618 -4.792 -0.526 -6.382 1.00 42.03 H new ATOM 0 HA LEU A 618 -3.181 1.769 -6.264 1.00 64.45 H new ATOM 0 HB2 LEU A 618 -4.112 -0.351 -4.347 1.00 53.24 H new ATOM 0 HB3 LEU A 618 -2.871 0.768 -3.819 1.00 53.24 H new ATOM 0 HG LEU A 618 -5.020 1.558 -3.079 1.00 23.12 H new ATOM 0 HD11 LEU A 618 -5.059 3.798 -4.101 1.00 13.32 H new ATOM 0 HD12 LEU A 618 -3.399 3.262 -3.752 1.00 13.32 H new ATOM 0 HD13 LEU A 618 -4.018 3.211 -5.420 1.00 13.32 H new ATOM 0 HD21 LEU A 618 -6.812 2.153 -4.660 1.00 43.35 H new ATOM 0 HD22 LEU A 618 -5.839 1.501 -6.001 1.00 43.35 H new ATOM 0 HD23 LEU A 618 -6.428 0.416 -4.719 1.00 43.35 H new ATOM 314 N SER A 619 -1.570 -1.093 -5.866 1.00 2.31 N ATOM 315 CA SER A 619 -0.246 -1.704 -5.890 1.00 54.03 C ATOM 316 C SER A 619 0.520 -1.290 -7.143 1.00 51.31 C ATOM 317 O SER A 619 1.638 -0.779 -7.060 1.00 4.03 O ATOM 318 CB SER A 619 -0.364 -3.228 -5.832 1.00 33.14 C ATOM 319 OG SER A 619 0.606 -3.846 -6.658 1.00 23.53 O ATOM 0 H SER A 619 -2.338 -1.755 -5.755 1.00 2.31 H new ATOM 0 HA SER A 619 0.304 -1.355 -5.016 1.00 54.03 H new ATOM 0 HB2 SER A 619 -0.239 -3.567 -4.803 1.00 33.14 H new ATOM 0 HB3 SER A 619 -1.362 -3.531 -6.149 1.00 33.14 H new ATOM 0 HG SER A 619 0.511 -4.820 -6.602 1.00 23.53 H new ATOM 325 N LEU A 620 -0.088 -1.514 -8.302 1.00 51.50 N ATOM 326 CA LEU A 620 0.536 -1.164 -9.574 1.00 14.25 C ATOM 327 C LEU A 620 0.827 0.332 -9.644 1.00 23.42 C ATOM 328 O LEU A 620 1.947 0.742 -9.950 1.00 42.12 O ATOM 329 CB LEU A 620 -0.369 -1.573 -10.737 1.00 61.32 C ATOM 330 CG LEU A 620 0.082 -1.124 -12.128 1.00 14.42 C ATOM 331 CD1 LEU A 620 0.728 -2.277 -12.878 1.00 41.30 C ATOM 332 CD2 LEU A 620 -1.095 -0.566 -12.915 1.00 33.33 C ATOM 0 H LEU A 620 -1.012 -1.936 -8.388 1.00 51.50 H new ATOM 0 HA LEU A 620 1.480 -1.703 -9.648 1.00 14.25 H new ATOM 0 HB2 LEU A 620 -0.457 -2.659 -10.738 1.00 61.32 H new ATOM 0 HB3 LEU A 620 -1.366 -1.173 -10.553 1.00 61.32 H new ATOM 0 HG LEU A 620 0.823 -0.334 -12.011 1.00 14.42 H new ATOM 0 HD11 LEU A 620 1.042 -1.938 -13.865 1.00 41.30 H new ATOM 0 HD12 LEU A 620 1.596 -2.631 -12.323 1.00 41.30 H new ATOM 0 HD13 LEU A 620 0.009 -3.090 -12.985 1.00 41.30 H new ATOM 0 HD21 LEU A 620 -0.756 -0.251 -13.902 1.00 33.33 H new ATOM 0 HD22 LEU A 620 -1.859 -1.336 -13.022 1.00 33.33 H new ATOM 0 HD23 LEU A 620 -1.514 0.290 -12.385 1.00 33.33 H new ATOM 344 N ASP A 621 -0.185 1.142 -9.357 1.00 34.24 N ATOM 345 CA ASP A 621 -0.037 2.592 -9.383 1.00 52.25 C ATOM 346 C ASP A 621 1.197 3.027 -8.600 1.00 64.31 C ATOM 347 O ASP A 621 2.104 3.654 -9.149 1.00 70.13 O ATOM 348 CB ASP A 621 -1.285 3.265 -8.808 1.00 44.13 C ATOM 349 CG ASP A 621 -2.157 3.883 -9.883 1.00 3.11 C ATOM 350 OD1 ASP A 621 -2.048 3.458 -11.052 1.00 54.14 O ATOM 351 OD2 ASP A 621 -2.949 4.791 -9.554 1.00 61.54 O ATOM 0 H ASP A 621 -1.118 0.819 -9.103 1.00 34.24 H new ATOM 0 HA ASP A 621 0.086 2.900 -10.421 1.00 52.25 H new ATOM 0 HB2 ASP A 621 -1.866 2.530 -8.251 1.00 44.13 H new ATOM 0 HB3 ASP A 621 -0.984 4.037 -8.100 1.00 44.13 H new ATOM 356 N ILE A 622 1.225 2.689 -7.315 1.00 41.41 N ATOM 357 CA ILE A 622 2.349 3.045 -6.457 1.00 72.21 C ATOM 358 C ILE A 622 3.634 2.372 -6.928 1.00 5.45 C ATOM 359 O ILE A 622 4.722 2.933 -6.800 1.00 61.34 O ATOM 360 CB ILE A 622 2.084 2.653 -4.992 1.00 34.04 C ATOM 361 CG1 ILE A 622 0.958 3.509 -4.407 1.00 61.03 C ATOM 362 CG2 ILE A 622 3.353 2.802 -4.166 1.00 21.04 C ATOM 363 CD1 ILE A 622 -0.167 2.698 -3.804 1.00 62.24 C ATOM 0 H ILE A 622 0.483 2.170 -6.845 1.00 41.41 H new ATOM 0 HA ILE A 622 2.465 4.127 -6.520 1.00 72.21 H new ATOM 0 HB ILE A 622 1.774 1.608 -4.962 1.00 34.04 H new ATOM 0 HG12 ILE A 622 1.372 4.166 -3.642 1.00 61.03 H new ATOM 0 HG13 ILE A 622 0.554 4.149 -5.192 1.00 61.03 H new ATOM 0 HG21 ILE A 622 3.150 2.521 -3.133 1.00 21.04 H new ATOM 0 HG22 ILE A 622 4.130 2.154 -4.572 1.00 21.04 H new ATOM 0 HG23 ILE A 622 3.690 3.838 -4.201 1.00 21.04 H new ATOM 0 HD11 ILE A 622 -0.929 3.370 -3.409 1.00 62.24 H new ATOM 0 HD12 ILE A 622 -0.607 2.061 -4.571 1.00 62.24 H new ATOM 0 HD13 ILE A 622 0.223 2.078 -2.997 1.00 62.24 H new ATOM 375 N ASN A 623 3.499 1.168 -7.472 1.00 43.23 N ATOM 376 CA ASN A 623 4.650 0.419 -7.963 1.00 64.14 C ATOM 377 C ASN A 623 5.342 1.166 -9.099 1.00 44.10 C ATOM 378 O ASN A 623 6.571 1.219 -9.165 1.00 41.43 O ATOM 379 CB ASN A 623 4.216 -0.968 -8.441 1.00 63.11 C ATOM 380 CG ASN A 623 4.389 -2.029 -7.371 1.00 42.41 C ATOM 381 OD1 ASN A 623 4.838 -3.141 -7.650 1.00 72.11 O ATOM 382 ND2 ASN A 623 4.033 -1.688 -6.138 1.00 35.31 N ATOM 0 H ASN A 623 2.605 0.690 -7.584 1.00 43.23 H new ATOM 0 HA ASN A 623 5.357 0.309 -7.141 1.00 64.14 H new ATOM 0 HB2 ASN A 623 3.171 -0.933 -8.748 1.00 63.11 H new ATOM 0 HB3 ASN A 623 4.798 -1.245 -9.320 1.00 63.11 H new ATOM 0 HD21 ASN A 623 4.127 -2.359 -5.376 1.00 35.31 H new ATOM 0 HD22 ASN A 623 3.666 -0.755 -5.953 1.00 35.31 H new ATOM 389 N LYS A 624 4.545 1.744 -9.992 1.00 64.32 N ATOM 390 CA LYS A 624 5.080 2.490 -11.125 1.00 15.51 C ATOM 391 C LYS A 624 5.564 3.869 -10.687 1.00 40.41 C ATOM 392 O LYS A 624 6.477 4.437 -11.289 1.00 40.21 O ATOM 393 CB LYS A 624 4.014 2.635 -12.214 1.00 3.42 C ATOM 394 CG LYS A 624 4.573 3.068 -13.558 1.00 0.52 C ATOM 395 CD LYS A 624 3.465 3.407 -14.540 1.00 60.55 C ATOM 396 CE LYS A 624 3.680 4.771 -15.175 1.00 55.44 C ATOM 397 NZ LYS A 624 4.594 4.700 -16.349 1.00 12.34 N ATOM 0 H LYS A 624 3.526 1.710 -9.953 1.00 64.32 H new ATOM 0 HA LYS A 624 5.929 1.936 -11.526 1.00 15.51 H new ATOM 0 HB2 LYS A 624 3.498 1.683 -12.334 1.00 3.42 H new ATOM 0 HB3 LYS A 624 3.270 3.362 -11.888 1.00 3.42 H new ATOM 0 HG2 LYS A 624 5.218 3.936 -13.422 1.00 0.52 H new ATOM 0 HG3 LYS A 624 5.193 2.271 -13.969 1.00 0.52 H new ATOM 0 HD2 LYS A 624 3.422 2.645 -15.318 1.00 60.55 H new ATOM 0 HD3 LYS A 624 2.504 3.392 -14.025 1.00 60.55 H new ATOM 0 HE2 LYS A 624 2.720 5.181 -15.487 1.00 55.44 H new ATOM 0 HE3 LYS A 624 4.093 5.455 -14.434 1.00 55.44 H new ATOM 0 HZ1 LYS A 624 4.714 5.651 -16.753 1.00 12.34 H new ATOM 0 HZ2 LYS A 624 5.519 4.332 -16.047 1.00 12.34 H new ATOM 0 HZ3 LYS A 624 4.188 4.067 -17.067 1.00 12.34 H new ATOM 411 N LEU A 625 4.949 4.401 -9.636 1.00 44.55 N ATOM 412 CA LEU A 625 5.320 5.713 -9.118 1.00 10.44 C ATOM 413 C LEU A 625 6.759 5.712 -8.610 1.00 11.50 C ATOM 414 O LEU A 625 7.343 4.665 -8.330 1.00 73.35 O ATOM 415 CB LEU A 625 4.370 6.126 -7.992 1.00 31.11 C ATOM 416 CG LEU A 625 3.304 7.159 -8.357 1.00 41.45 C ATOM 417 CD1 LEU A 625 2.503 6.696 -9.565 1.00 70.30 C ATOM 418 CD2 LEU A 625 2.384 7.419 -7.173 1.00 22.33 C ATOM 0 H LEU A 625 4.192 3.945 -9.127 1.00 44.55 H new ATOM 0 HA LEU A 625 5.243 6.433 -9.933 1.00 10.44 H new ATOM 0 HB2 LEU A 625 3.869 5.232 -7.621 1.00 31.11 H new ATOM 0 HB3 LEU A 625 4.965 6.523 -7.169 1.00 31.11 H new ATOM 0 HG LEU A 625 3.804 8.093 -8.614 1.00 41.45 H new ATOM 0 HD11 LEU A 625 1.749 7.444 -9.810 1.00 70.30 H new ATOM 0 HD12 LEU A 625 3.172 6.563 -10.415 1.00 70.30 H new ATOM 0 HD13 LEU A 625 2.014 5.749 -9.336 1.00 70.30 H new ATOM 0 HD21 LEU A 625 1.632 8.157 -7.452 1.00 22.33 H new ATOM 0 HD22 LEU A 625 1.892 6.490 -6.884 1.00 22.33 H new ATOM 0 HD23 LEU A 625 2.969 7.796 -6.334 1.00 22.33 H new ATOM 430 N PRO A 626 7.344 6.913 -8.484 1.00 73.44 N ATOM 431 CA PRO A 626 8.719 7.077 -8.007 1.00 25.50 C ATOM 432 C PRO A 626 8.862 6.743 -6.526 1.00 22.40 C ATOM 433 O PRO A 626 7.873 6.657 -5.800 1.00 40.13 O ATOM 434 CB PRO A 626 9.005 8.561 -8.250 1.00 64.02 C ATOM 435 CG PRO A 626 7.665 9.212 -8.232 1.00 23.02 C ATOM 436 CD PRO A 626 6.707 8.203 -8.799 1.00 74.20 C ATOM 0 HA PRO A 626 9.410 6.407 -8.518 1.00 25.50 H new ATOM 0 HB2 PRO A 626 9.655 8.971 -7.477 1.00 64.02 H new ATOM 0 HB3 PRO A 626 9.508 8.716 -9.204 1.00 64.02 H new ATOM 0 HG2 PRO A 626 7.381 9.493 -7.218 1.00 23.02 H new ATOM 0 HG3 PRO A 626 7.667 10.125 -8.827 1.00 23.02 H new ATOM 0 HD2 PRO A 626 5.720 8.286 -8.344 1.00 74.20 H new ATOM 0 HD3 PRO A 626 6.574 8.334 -9.873 1.00 74.20 H new ATOM 444 N GLY A 627 10.102 6.556 -6.083 1.00 4.23 N ATOM 445 CA GLY A 627 10.352 6.235 -4.690 1.00 32.20 C ATOM 446 C GLY A 627 9.671 7.200 -3.740 1.00 51.14 C ATOM 447 O GLY A 627 8.964 6.784 -2.823 1.00 61.10 O ATOM 0 H GLY A 627 10.938 6.621 -6.664 1.00 4.23 H new ATOM 0 HA2 GLY A 627 10.004 5.223 -4.486 1.00 32.20 H new ATOM 0 HA3 GLY A 627 11.426 6.246 -4.505 1.00 32.20 H new ATOM 451 N GLU A 628 9.885 8.494 -3.961 1.00 23.14 N ATOM 452 CA GLU A 628 9.288 9.521 -3.114 1.00 53.52 C ATOM 453 C GLU A 628 7.790 9.285 -2.948 1.00 30.03 C ATOM 454 O GLU A 628 7.236 9.476 -1.865 1.00 71.30 O ATOM 455 CB GLU A 628 9.534 10.909 -3.709 1.00 10.50 C ATOM 456 CG GLU A 628 8.807 12.024 -2.975 1.00 65.53 C ATOM 457 CD GLU A 628 9.511 13.361 -3.101 1.00 30.42 C ATOM 458 OE1 GLU A 628 10.760 13.375 -3.098 1.00 13.10 O ATOM 459 OE2 GLU A 628 8.814 14.392 -3.201 1.00 23.13 O ATOM 0 H GLU A 628 10.466 8.855 -4.718 1.00 23.14 H new ATOM 0 HA GLU A 628 9.758 9.466 -2.132 1.00 53.52 H new ATOM 0 HB2 GLU A 628 10.604 11.115 -3.697 1.00 10.50 H new ATOM 0 HB3 GLU A 628 9.221 10.908 -4.753 1.00 10.50 H new ATOM 0 HG2 GLU A 628 7.794 12.112 -3.368 1.00 65.53 H new ATOM 0 HG3 GLU A 628 8.718 11.762 -1.921 1.00 65.53 H new ATOM 466 N LYS A 629 7.138 8.870 -4.030 1.00 3.13 N ATOM 467 CA LYS A 629 5.704 8.607 -4.005 1.00 63.25 C ATOM 468 C LYS A 629 5.390 7.381 -3.155 1.00 20.24 C ATOM 469 O LYS A 629 4.369 7.335 -2.466 1.00 65.33 O ATOM 470 CB LYS A 629 5.179 8.402 -5.428 1.00 74.11 C ATOM 471 CG LYS A 629 4.938 9.699 -6.181 1.00 34.02 C ATOM 472 CD LYS A 629 3.878 10.550 -5.500 1.00 61.21 C ATOM 473 CE LYS A 629 4.502 11.691 -4.711 1.00 41.15 C ATOM 474 NZ LYS A 629 4.444 12.978 -5.459 1.00 43.03 N ATOM 0 H LYS A 629 7.580 8.709 -4.935 1.00 3.13 H new ATOM 0 HA LYS A 629 5.209 9.471 -3.561 1.00 63.25 H new ATOM 0 HB2 LYS A 629 5.893 7.795 -5.986 1.00 74.11 H new ATOM 0 HB3 LYS A 629 4.247 7.838 -5.385 1.00 74.11 H new ATOM 0 HG2 LYS A 629 5.870 10.261 -6.247 1.00 34.02 H new ATOM 0 HG3 LYS A 629 4.627 9.476 -7.202 1.00 34.02 H new ATOM 0 HD2 LYS A 629 3.197 10.954 -6.249 1.00 61.21 H new ATOM 0 HD3 LYS A 629 3.283 9.927 -4.832 1.00 61.21 H new ATOM 0 HE2 LYS A 629 3.983 11.801 -3.759 1.00 41.15 H new ATOM 0 HE3 LYS A 629 5.540 11.450 -4.483 1.00 41.15 H new ATOM 0 HZ1 LYS A 629 5.037 13.685 -4.980 1.00 43.03 H new ATOM 0 HZ2 LYS A 629 4.793 12.833 -6.428 1.00 43.03 H new ATOM 0 HZ3 LYS A 629 3.461 13.316 -5.493 1.00 43.03 H new ATOM 488 N LEU A 630 6.274 6.390 -3.204 1.00 53.24 N ATOM 489 CA LEU A 630 6.092 5.163 -2.436 1.00 51.34 C ATOM 490 C LEU A 630 6.310 5.414 -0.948 1.00 41.53 C ATOM 491 O LEU A 630 5.468 5.073 -0.120 1.00 31.22 O ATOM 492 CB LEU A 630 7.054 4.082 -2.929 1.00 71.22 C ATOM 493 CG LEU A 630 6.798 2.666 -2.410 1.00 52.40 C ATOM 494 CD1 LEU A 630 6.435 1.734 -3.555 1.00 53.12 C ATOM 495 CD2 LEU A 630 8.015 2.145 -1.661 1.00 34.54 C ATOM 0 H LEU A 630 7.124 6.412 -3.768 1.00 53.24 H new ATOM 0 HA LEU A 630 5.067 4.822 -2.581 1.00 51.34 H new ATOM 0 HB2 LEU A 630 7.017 4.060 -4.018 1.00 71.22 H new ATOM 0 HB3 LEU A 630 8.067 4.372 -2.651 1.00 71.22 H new ATOM 0 HG LEU A 630 5.957 2.700 -1.718 1.00 52.40 H new ATOM 0 HD11 LEU A 630 6.257 0.732 -3.166 1.00 53.12 H new ATOM 0 HD12 LEU A 630 5.533 2.097 -4.048 1.00 53.12 H new ATOM 0 HD13 LEU A 630 7.254 1.704 -4.273 1.00 53.12 H new ATOM 0 HD21 LEU A 630 7.815 1.137 -1.299 1.00 34.54 H new ATOM 0 HD22 LEU A 630 8.874 2.126 -2.331 1.00 34.54 H new ATOM 0 HD23 LEU A 630 8.229 2.798 -0.815 1.00 34.54 H new ATOM 507 N GLY A 631 7.448 6.017 -0.615 1.00 65.25 N ATOM 508 CA GLY A 631 7.757 6.306 0.772 1.00 54.01 C ATOM 509 C GLY A 631 6.567 6.866 1.526 1.00 12.35 C ATOM 510 O GLY A 631 6.333 6.511 2.681 1.00 53.31 O ATOM 0 H GLY A 631 8.161 6.310 -1.283 1.00 65.25 H new ATOM 0 HA2 GLY A 631 8.098 5.394 1.263 1.00 54.01 H new ATOM 0 HA3 GLY A 631 8.580 7.019 0.817 1.00 54.01 H new ATOM 514 N ARG A 632 5.816 7.746 0.872 1.00 15.34 N ATOM 515 CA ARG A 632 4.646 8.359 1.489 1.00 75.01 C ATOM 516 C ARG A 632 3.548 7.324 1.721 1.00 12.21 C ATOM 517 O ARG A 632 2.964 7.255 2.802 1.00 51.00 O ATOM 518 CB ARG A 632 4.114 9.493 0.610 1.00 34.23 C ATOM 519 CG ARG A 632 4.692 10.855 0.959 1.00 52.35 C ATOM 520 CD ARG A 632 5.024 11.655 -0.291 1.00 0.31 C ATOM 521 NE ARG A 632 4.634 13.056 -0.164 1.00 15.22 N ATOM 522 CZ ARG A 632 4.939 13.989 -1.059 1.00 62.32 C ATOM 523 NH1 ARG A 632 5.635 13.670 -2.142 1.00 11.52 N ATOM 524 NH2 ARG A 632 4.548 15.243 -0.873 1.00 22.44 N ATOM 0 H ARG A 632 5.997 8.050 -0.085 1.00 15.34 H new ATOM 0 HA ARG A 632 4.948 8.767 2.454 1.00 75.01 H new ATOM 0 HB2 ARG A 632 4.338 9.269 -0.433 1.00 34.23 H new ATOM 0 HB3 ARG A 632 3.029 9.534 0.701 1.00 34.23 H new ATOM 0 HG2 ARG A 632 3.978 11.409 1.568 1.00 52.35 H new ATOM 0 HG3 ARG A 632 5.592 10.727 1.560 1.00 52.35 H new ATOM 0 HD2 ARG A 632 6.094 11.593 -0.487 1.00 0.31 H new ATOM 0 HD3 ARG A 632 4.517 11.214 -1.149 1.00 0.31 H new ATOM 0 HE ARG A 632 4.097 13.334 0.658 1.00 15.22 H new ATOM 0 HH11 ARG A 632 5.937 12.707 -2.289 1.00 11.52 H new ATOM 0 HH12 ARG A 632 5.868 14.388 -2.828 1.00 11.52 H new ATOM 0 HH21 ARG A 632 4.012 15.492 -0.042 1.00 22.44 H new ATOM 0 HH22 ARG A 632 4.783 15.958 -1.561 1.00 22.44 H new ATOM 538 N VAL A 633 3.273 6.521 0.698 1.00 42.51 N ATOM 539 CA VAL A 633 2.247 5.490 0.790 1.00 30.53 C ATOM 540 C VAL A 633 2.607 4.449 1.845 1.00 61.44 C ATOM 541 O VAL A 633 1.855 4.224 2.793 1.00 63.32 O ATOM 542 CB VAL A 633 2.039 4.783 -0.563 1.00 3.15 C ATOM 543 CG1 VAL A 633 1.003 3.676 -0.433 1.00 0.11 C ATOM 544 CG2 VAL A 633 1.628 5.786 -1.630 1.00 43.23 C ATOM 0 H VAL A 633 3.747 6.565 -0.204 1.00 42.51 H new ATOM 0 HA VAL A 633 1.321 5.989 1.077 1.00 30.53 H new ATOM 0 HB VAL A 633 2.983 4.331 -0.866 1.00 3.15 H new ATOM 0 HG11 VAL A 633 0.869 3.188 -1.398 1.00 0.11 H new ATOM 0 HG12 VAL A 633 1.343 2.944 0.300 1.00 0.11 H new ATOM 0 HG13 VAL A 633 0.054 4.102 -0.107 1.00 0.11 H new ATOM 0 HG21 VAL A 633 1.485 5.270 -2.579 1.00 43.23 H new ATOM 0 HG22 VAL A 633 0.696 6.269 -1.336 1.00 43.23 H new ATOM 0 HG23 VAL A 633 2.408 6.540 -1.741 1.00 43.23 H new ATOM 554 N VAL A 634 3.764 3.815 1.673 1.00 12.43 N ATOM 555 CA VAL A 634 4.225 2.799 2.610 1.00 3.42 C ATOM 556 C VAL A 634 4.151 3.303 4.048 1.00 74.54 C ATOM 557 O VAL A 634 3.870 2.538 4.971 1.00 23.10 O ATOM 558 CB VAL A 634 5.671 2.368 2.304 1.00 42.24 C ATOM 559 CG1 VAL A 634 6.023 1.100 3.065 1.00 21.53 C ATOM 560 CG2 VAL A 634 5.863 2.172 0.808 1.00 53.04 C ATOM 0 H VAL A 634 4.398 3.988 0.893 1.00 12.43 H new ATOM 0 HA VAL A 634 3.565 1.939 2.494 1.00 3.42 H new ATOM 0 HB VAL A 634 6.345 3.159 2.633 1.00 42.24 H new ATOM 0 HG11 VAL A 634 7.049 0.811 2.836 1.00 21.53 H new ATOM 0 HG12 VAL A 634 5.927 1.280 4.136 1.00 21.53 H new ATOM 0 HG13 VAL A 634 5.346 0.299 2.770 1.00 21.53 H new ATOM 0 HG21 VAL A 634 6.891 1.868 0.610 1.00 53.04 H new ATOM 0 HG22 VAL A 634 5.181 1.400 0.452 1.00 53.04 H new ATOM 0 HG23 VAL A 634 5.655 3.108 0.289 1.00 53.04 H new ATOM 570 N HIS A 635 4.403 4.595 4.230 1.00 43.30 N ATOM 571 CA HIS A 635 4.363 5.202 5.556 1.00 44.13 C ATOM 572 C HIS A 635 2.967 5.094 6.162 1.00 62.22 C ATOM 573 O HIS A 635 2.818 4.882 7.365 1.00 2.54 O ATOM 574 CB HIS A 635 4.787 6.670 5.480 1.00 35.12 C ATOM 575 CG HIS A 635 6.157 6.927 6.029 1.00 62.31 C ATOM 576 ND1 HIS A 635 6.416 7.879 6.992 1.00 72.40 N ATOM 577 CD2 HIS A 635 7.347 6.348 5.744 1.00 72.02 C ATOM 578 CE1 HIS A 635 7.706 7.876 7.274 1.00 20.05 C ATOM 579 NE2 HIS A 635 8.294 6.955 6.531 1.00 2.11 N ATOM 0 H HIS A 635 4.637 5.242 3.477 1.00 43.30 H new ATOM 0 HA HIS A 635 5.060 4.662 6.197 1.00 44.13 H new ATOM 0 HB2 HIS A 635 4.754 6.996 4.440 1.00 35.12 H new ATOM 0 HB3 HIS A 635 4.066 7.277 6.027 1.00 35.12 H new ATOM 0 HD2 HIS A 635 7.519 5.556 5.030 1.00 72.02 H new ATOM 0 HE1 HIS A 635 8.197 8.518 7.991 1.00 20.05 H new ATOM 0 HE2 HIS A 635 9.289 6.732 6.541 1.00 2.11 H new ATOM 587 N ILE A 636 1.949 5.240 5.320 1.00 23.11 N ATOM 588 CA ILE A 636 0.567 5.158 5.773 1.00 62.53 C ATOM 589 C ILE A 636 0.197 3.728 6.155 1.00 40.34 C ATOM 590 O ILE A 636 -0.192 3.459 7.291 1.00 13.33 O ATOM 591 CB ILE A 636 -0.410 5.658 4.693 1.00 72.04 C ATOM 592 CG1 ILE A 636 0.202 6.831 3.924 1.00 24.52 C ATOM 593 CG2 ILE A 636 -1.734 6.063 5.323 1.00 2.42 C ATOM 594 CD1 ILE A 636 -0.826 7.716 3.255 1.00 43.34 C ATOM 0 H ILE A 636 2.056 5.416 4.321 1.00 23.11 H new ATOM 0 HA ILE A 636 0.484 5.799 6.651 1.00 62.53 H new ATOM 0 HB ILE A 636 -0.598 4.846 3.990 1.00 72.04 H new ATOM 0 HG12 ILE A 636 0.797 7.434 4.610 1.00 24.52 H new ATOM 0 HG13 ILE A 636 0.883 6.443 3.167 1.00 24.52 H new ATOM 0 HG21 ILE A 636 -2.414 6.414 4.547 1.00 2.42 H new ATOM 0 HG22 ILE A 636 -2.174 5.204 5.829 1.00 2.42 H new ATOM 0 HG23 ILE A 636 -1.564 6.862 6.045 1.00 2.42 H new ATOM 0 HD11 ILE A 636 -0.321 8.526 2.729 1.00 43.34 H new ATOM 0 HD12 ILE A 636 -1.406 7.127 2.544 1.00 43.34 H new ATOM 0 HD13 ILE A 636 -1.493 8.133 4.009 1.00 43.34 H new ATOM 606 N ILE A 637 0.324 2.814 5.197 1.00 4.52 N ATOM 607 CA ILE A 637 0.007 1.412 5.434 1.00 34.11 C ATOM 608 C ILE A 637 0.790 0.863 6.622 1.00 55.44 C ATOM 609 O ILE A 637 0.257 0.105 7.432 1.00 43.15 O ATOM 610 CB ILE A 637 0.306 0.550 4.193 1.00 32.24 C ATOM 611 CG1 ILE A 637 -0.721 0.827 3.094 1.00 52.14 C ATOM 612 CG2 ILE A 637 0.310 -0.926 4.563 1.00 63.20 C ATOM 613 CD1 ILE A 637 -0.244 0.439 1.712 1.00 41.45 C ATOM 0 H ILE A 637 0.644 3.020 4.251 1.00 4.52 H new ATOM 0 HA ILE A 637 -1.060 1.363 5.652 1.00 34.11 H new ATOM 0 HB ILE A 637 1.294 0.812 3.815 1.00 32.24 H new ATOM 0 HG12 ILE A 637 -1.638 0.283 3.319 1.00 52.14 H new ATOM 0 HG13 ILE A 637 -0.970 1.888 3.099 1.00 52.14 H new ATOM 0 HG21 ILE A 637 0.523 -1.523 3.676 1.00 63.20 H new ATOM 0 HG22 ILE A 637 1.076 -1.110 5.316 1.00 63.20 H new ATOM 0 HG23 ILE A 637 -0.666 -1.204 4.962 1.00 63.20 H new ATOM 0 HD11 ILE A 637 -1.022 0.663 0.982 1.00 41.45 H new ATOM 0 HD12 ILE A 637 0.657 1.002 1.467 1.00 41.45 H new ATOM 0 HD13 ILE A 637 -0.022 -0.628 1.690 1.00 41.45 H new ATOM 625 N GLN A 638 2.056 1.254 6.719 1.00 2.42 N ATOM 626 CA GLN A 638 2.914 0.802 7.809 1.00 74.53 C ATOM 627 C GLN A 638 2.568 1.523 9.108 1.00 43.44 C ATOM 628 O GLN A 638 2.990 1.112 10.189 1.00 74.21 O ATOM 629 CB GLN A 638 4.384 1.032 7.458 1.00 32.45 C ATOM 630 CG GLN A 638 4.848 2.462 7.689 1.00 75.10 C ATOM 631 CD GLN A 638 6.302 2.670 7.314 1.00 15.40 C ATOM 632 OE1 GLN A 638 7.117 3.076 8.144 1.00 74.52 O ATOM 633 NE2 GLN A 638 6.635 2.395 6.059 1.00 63.01 N ATOM 0 H GLN A 638 2.511 1.882 6.057 1.00 2.42 H new ATOM 0 HA GLN A 638 2.746 -0.265 7.952 1.00 74.53 H new ATOM 0 HB2 GLN A 638 5.001 0.358 8.053 1.00 32.45 H new ATOM 0 HB3 GLN A 638 4.544 0.771 6.412 1.00 32.45 H new ATOM 0 HG2 GLN A 638 4.225 3.141 7.106 1.00 75.10 H new ATOM 0 HG3 GLN A 638 4.706 2.721 8.738 1.00 75.10 H new ATOM 0 HE21 GLN A 638 5.927 2.061 5.405 1.00 63.01 H new ATOM 0 HE22 GLN A 638 7.599 2.518 5.748 1.00 63.01 H new ATOM 642 N SER A 639 1.800 2.602 8.993 1.00 13.43 N ATOM 643 CA SER A 639 1.402 3.383 10.159 1.00 50.53 C ATOM 644 C SER A 639 0.113 2.838 10.764 1.00 12.31 C ATOM 645 O SER A 639 -0.145 3.005 11.957 1.00 71.53 O ATOM 646 CB SER A 639 1.216 4.853 9.774 1.00 61.24 C ATOM 647 OG SER A 639 0.574 5.575 10.810 1.00 24.44 O ATOM 0 H SER A 639 1.441 2.955 8.106 1.00 13.43 H new ATOM 0 HA SER A 639 2.193 3.306 10.905 1.00 50.53 H new ATOM 0 HB2 SER A 639 2.186 5.302 9.561 1.00 61.24 H new ATOM 0 HB3 SER A 639 0.626 4.921 8.860 1.00 61.24 H new ATOM 0 HG SER A 639 -0.327 5.831 10.521 1.00 24.44 H new ATOM 653 N ARG A 640 -0.694 2.186 9.933 1.00 13.05 N ATOM 654 CA ARG A 640 -1.958 1.617 10.385 1.00 11.23 C ATOM 655 C ARG A 640 -1.844 0.104 10.551 1.00 52.33 C ATOM 656 O ARG A 640 -2.461 -0.480 11.441 1.00 54.23 O ATOM 657 CB ARG A 640 -3.075 1.950 9.394 1.00 33.44 C ATOM 658 CG ARG A 640 -3.701 3.317 9.618 1.00 10.04 C ATOM 659 CD ARG A 640 -4.590 3.328 10.852 1.00 25.04 C ATOM 660 NE ARG A 640 -6.003 3.195 10.510 1.00 30.15 N ATOM 661 CZ ARG A 640 -6.940 2.839 11.382 1.00 61.02 C ATOM 662 NH1 ARG A 640 -6.615 2.582 12.642 1.00 24.30 N ATOM 663 NH2 ARG A 640 -8.204 2.741 10.995 1.00 15.01 N ATOM 0 H ARG A 640 -0.495 2.039 8.944 1.00 13.05 H new ATOM 0 HA ARG A 640 -2.199 2.054 11.354 1.00 11.23 H new ATOM 0 HB2 ARG A 640 -2.676 1.904 8.381 1.00 33.44 H new ATOM 0 HB3 ARG A 640 -3.851 1.188 9.465 1.00 33.44 H new ATOM 0 HG2 ARG A 640 -2.915 4.064 9.728 1.00 10.04 H new ATOM 0 HG3 ARG A 640 -4.288 3.597 8.743 1.00 10.04 H new ATOM 0 HD2 ARG A 640 -4.299 2.513 11.515 1.00 25.04 H new ATOM 0 HD3 ARG A 640 -4.436 4.257 11.401 1.00 25.04 H new ATOM 0 HE ARG A 640 -6.286 3.386 9.549 1.00 30.15 H new ATOM 0 HH11 ARG A 640 -5.644 2.657 12.944 1.00 24.30 H new ATOM 0 HH12 ARG A 640 -7.337 2.309 13.309 1.00 24.30 H new ATOM 0 HH21 ARG A 640 -8.458 2.939 10.027 1.00 15.01 H new ATOM 0 HH22 ARG A 640 -8.923 2.468 11.665 1.00 15.01 H new ATOM 677 N GLU A 641 -1.052 -0.523 9.687 1.00 4.33 N ATOM 678 CA GLU A 641 -0.859 -1.967 9.737 1.00 32.03 C ATOM 679 C GLU A 641 -0.501 -2.419 11.151 1.00 74.55 C ATOM 680 O GLU A 641 0.605 -2.194 11.640 1.00 0.40 O ATOM 681 CB GLU A 641 0.240 -2.392 8.761 1.00 51.11 C ATOM 682 CG GLU A 641 0.560 -3.876 8.813 1.00 23.12 C ATOM 683 CD GLU A 641 0.386 -4.558 7.469 1.00 4.52 C ATOM 684 OE1 GLU A 641 0.688 -3.921 6.439 1.00 70.02 O ATOM 685 OE2 GLU A 641 -0.052 -5.727 7.450 1.00 41.33 O ATOM 0 H GLU A 641 -0.534 -0.054 8.944 1.00 4.33 H new ATOM 0 HA GLU A 641 -1.796 -2.443 9.447 1.00 32.03 H new ATOM 0 HB2 GLU A 641 -0.065 -2.130 7.748 1.00 51.11 H new ATOM 0 HB3 GLU A 641 1.146 -1.826 8.978 1.00 51.11 H new ATOM 0 HG2 GLU A 641 1.586 -4.011 9.154 1.00 23.12 H new ATOM 0 HG3 GLU A 641 -0.086 -4.358 9.547 1.00 23.12 H new ATOM 692 N PRO A 642 -1.461 -3.073 11.822 1.00 41.11 N ATOM 693 CA PRO A 642 -1.272 -3.570 13.188 1.00 72.55 C ATOM 694 C PRO A 642 -0.296 -4.741 13.249 1.00 42.13 C ATOM 695 O PRO A 642 0.513 -4.840 14.171 1.00 45.43 O ATOM 696 CB PRO A 642 -2.676 -4.023 13.598 1.00 60.43 C ATOM 697 CG PRO A 642 -3.362 -4.337 12.314 1.00 73.12 C ATOM 698 CD PRO A 642 -2.804 -3.377 11.301 1.00 50.34 C ATOM 0 HA PRO A 642 -0.846 -2.810 13.843 1.00 72.55 H new ATOM 0 HB2 PRO A 642 -2.636 -4.896 14.249 1.00 60.43 H new ATOM 0 HB3 PRO A 642 -3.200 -3.240 14.146 1.00 60.43 H new ATOM 0 HG2 PRO A 642 -3.179 -5.369 12.016 1.00 73.12 H new ATOM 0 HG3 PRO A 642 -4.441 -4.220 12.409 1.00 73.12 H new ATOM 0 HD2 PRO A 642 -2.758 -3.823 10.308 1.00 50.34 H new ATOM 0 HD3 PRO A 642 -3.416 -2.479 11.219 1.00 50.34 H new ATOM 706 N SER A 643 -0.378 -5.625 12.260 1.00 65.41 N ATOM 707 CA SER A 643 0.497 -6.791 12.203 1.00 23.32 C ATOM 708 C SER A 643 1.964 -6.371 12.225 1.00 74.54 C ATOM 709 O SER A 643 2.811 -7.062 12.792 1.00 31.23 O ATOM 710 CB SER A 643 0.209 -7.610 10.944 1.00 34.43 C ATOM 711 OG SER A 643 -0.385 -8.855 11.271 1.00 65.41 O ATOM 0 H SER A 643 -1.041 -5.557 11.488 1.00 65.41 H new ATOM 0 HA SER A 643 0.299 -7.406 13.081 1.00 23.32 H new ATOM 0 HB2 SER A 643 -0.454 -7.049 10.285 1.00 34.43 H new ATOM 0 HB3 SER A 643 1.136 -7.778 10.396 1.00 34.43 H new ATOM 0 HG SER A 643 -0.561 -9.359 10.449 1.00 65.41 H new ATOM 717 N LEU A 644 2.257 -5.235 11.603 1.00 12.53 N ATOM 718 CA LEU A 644 3.621 -4.720 11.550 1.00 51.12 C ATOM 719 C LEU A 644 4.257 -4.720 12.936 1.00 23.13 C ATOM 720 O LEU A 644 5.041 -5.607 13.273 1.00 65.43 O ATOM 721 CB LEU A 644 3.631 -3.304 10.972 1.00 62.35 C ATOM 722 CG LEU A 644 4.985 -2.593 10.963 1.00 30.11 C ATOM 723 CD1 LEU A 644 5.657 -2.740 9.607 1.00 34.14 C ATOM 724 CD2 LEU A 644 4.817 -1.123 11.320 1.00 34.53 C ATOM 0 H LEU A 644 1.568 -4.652 11.128 1.00 12.53 H new ATOM 0 HA LEU A 644 4.205 -5.374 10.902 1.00 51.12 H new ATOM 0 HB2 LEU A 644 3.259 -3.348 9.948 1.00 62.35 H new ATOM 0 HB3 LEU A 644 2.927 -2.696 11.541 1.00 62.35 H new ATOM 0 HG LEU A 644 5.623 -3.059 11.714 1.00 30.11 H new ATOM 0 HD11 LEU A 644 6.619 -2.228 9.620 1.00 34.14 H new ATOM 0 HD12 LEU A 644 5.812 -3.797 9.390 1.00 34.14 H new ATOM 0 HD13 LEU A 644 5.023 -2.301 8.837 1.00 34.14 H new ATOM 0 HD21 LEU A 644 5.790 -0.632 11.309 1.00 34.53 H new ATOM 0 HD22 LEU A 644 4.161 -0.645 10.593 1.00 34.53 H new ATOM 0 HD23 LEU A 644 4.379 -1.038 12.315 1.00 34.53 H new ATOM 736 N LYS A 645 3.913 -3.719 13.739 1.00 34.34 N ATOM 737 CA LYS A 645 4.446 -3.604 15.091 1.00 2.05 C ATOM 738 C LYS A 645 5.952 -3.843 15.105 1.00 44.15 C ATOM 739 O LYS A 645 6.467 -4.575 15.948 1.00 72.34 O ATOM 740 CB LYS A 645 3.752 -4.601 16.022 1.00 25.02 C ATOM 741 CG LYS A 645 2.369 -4.159 16.466 1.00 11.22 C ATOM 742 CD LYS A 645 1.534 -5.336 16.943 1.00 50.35 C ATOM 743 CE LYS A 645 0.173 -4.883 17.451 1.00 75.14 C ATOM 744 NZ LYS A 645 -0.159 -5.494 18.767 1.00 34.30 N ATOM 0 H LYS A 645 3.267 -2.975 13.476 1.00 34.34 H new ATOM 0 HA LYS A 645 4.254 -2.591 15.445 1.00 2.05 H new ATOM 0 HB2 LYS A 645 3.671 -5.563 15.515 1.00 25.02 H new ATOM 0 HB3 LYS A 645 4.375 -4.756 16.903 1.00 25.02 H new ATOM 0 HG2 LYS A 645 2.460 -3.427 17.269 1.00 11.22 H new ATOM 0 HG3 LYS A 645 1.861 -3.663 15.639 1.00 11.22 H new ATOM 0 HD2 LYS A 645 1.401 -6.045 16.125 1.00 50.35 H new ATOM 0 HD3 LYS A 645 2.064 -5.861 17.737 1.00 50.35 H new ATOM 0 HE2 LYS A 645 0.162 -3.797 17.542 1.00 75.14 H new ATOM 0 HE3 LYS A 645 -0.593 -5.149 16.723 1.00 75.14 H new ATOM 0 HZ1 LYS A 645 -1.093 -5.161 19.079 1.00 34.30 H new ATOM 0 HZ2 LYS A 645 -0.174 -6.530 18.675 1.00 34.30 H new ATOM 0 HZ3 LYS A 645 0.558 -5.219 19.468 1.00 34.30 H new ATOM 758 N ASN A 646 6.653 -3.218 14.164 1.00 24.11 N ATOM 759 CA ASN A 646 8.102 -3.363 14.068 1.00 23.03 C ATOM 760 C ASN A 646 8.789 -2.001 14.116 1.00 34.52 C ATOM 761 O ASN A 646 8.193 -0.981 13.769 1.00 4.12 O ATOM 762 CB ASN A 646 8.478 -4.091 12.776 1.00 22.40 C ATOM 763 CG ASN A 646 8.905 -5.525 13.025 1.00 73.14 C ATOM 764 OD1 ASN A 646 10.070 -5.878 12.841 1.00 33.15 O ATOM 765 ND2 ASN A 646 7.961 -6.359 13.442 1.00 34.03 N ATOM 0 H ASN A 646 6.242 -2.607 13.458 1.00 24.11 H new ATOM 0 HA ASN A 646 8.441 -3.952 14.921 1.00 23.03 H new ATOM 0 HB2 ASN A 646 7.627 -4.081 12.095 1.00 22.40 H new ATOM 0 HB3 ASN A 646 9.288 -3.554 12.282 1.00 22.40 H new ATOM 0 HD21 ASN A 646 8.188 -7.337 13.624 1.00 34.03 H new ATOM 0 HD22 ASN A 646 7.008 -6.022 13.581 1.00 34.03 H new ATOM 772 N SER A 647 10.046 -1.994 14.547 1.00 11.25 N ATOM 773 CA SER A 647 10.813 -0.757 14.644 1.00 63.04 C ATOM 774 C SER A 647 11.723 -0.587 13.432 1.00 65.23 C ATOM 775 O SER A 647 12.559 0.315 13.391 1.00 20.40 O ATOM 776 CB SER A 647 11.647 -0.749 15.926 1.00 24.34 C ATOM 777 OG SER A 647 10.866 -1.133 17.045 1.00 20.25 O ATOM 0 H SER A 647 10.555 -2.830 14.834 1.00 11.25 H new ATOM 0 HA SER A 647 10.111 0.076 14.670 1.00 63.04 H new ATOM 0 HB2 SER A 647 12.492 -1.429 15.818 1.00 24.34 H new ATOM 0 HB3 SER A 647 12.058 0.247 16.090 1.00 24.34 H new ATOM 0 HG SER A 647 11.422 -1.122 17.852 1.00 20.25 H new ATOM 783 N ASN A 648 11.554 -1.461 12.444 1.00 2.04 N ATOM 784 CA ASN A 648 12.359 -1.409 11.230 1.00 4.01 C ATOM 785 C ASN A 648 11.534 -0.908 10.050 1.00 75.20 C ATOM 786 O ASN A 648 10.880 -1.678 9.346 1.00 11.21 O ATOM 787 CB ASN A 648 12.935 -2.791 10.915 1.00 35.40 C ATOM 788 CG ASN A 648 13.787 -2.790 9.660 1.00 22.52 C ATOM 789 OD1 ASN A 648 15.007 -2.641 9.727 1.00 65.34 O ATOM 790 ND2 ASN A 648 13.146 -2.958 8.509 1.00 20.12 N ATOM 0 H ASN A 648 10.866 -2.214 12.461 1.00 2.04 H new ATOM 0 HA ASN A 648 13.179 -0.711 11.398 1.00 4.01 H new ATOM 0 HB2 ASN A 648 13.536 -3.132 11.758 1.00 35.40 H new ATOM 0 HB3 ASN A 648 12.119 -3.503 10.796 1.00 35.40 H new ATOM 0 HD21 ASN A 648 13.667 -2.967 7.632 1.00 20.12 H new ATOM 0 HD22 ASN A 648 12.133 -3.078 8.502 1.00 20.12 H new ATOM 797 N PRO A 649 11.562 0.415 9.826 1.00 23.43 N ATOM 798 CA PRO A 649 10.822 1.049 8.731 1.00 64.30 C ATOM 799 C PRO A 649 11.404 0.706 7.364 1.00 34.40 C ATOM 800 O PRO A 649 10.756 0.903 6.336 1.00 53.34 O ATOM 801 CB PRO A 649 10.976 2.544 9.018 1.00 10.40 C ATOM 802 CG PRO A 649 12.235 2.651 9.806 1.00 24.31 C ATOM 803 CD PRO A 649 12.319 1.392 10.625 1.00 1.53 C ATOM 0 HA PRO A 649 9.786 0.713 8.691 1.00 64.30 H new ATOM 0 HB2 PRO A 649 11.037 3.120 8.095 1.00 10.40 H new ATOM 0 HB3 PRO A 649 10.124 2.929 9.579 1.00 10.40 H new ATOM 0 HG2 PRO A 649 13.099 2.748 9.149 1.00 24.31 H new ATOM 0 HG3 PRO A 649 12.221 3.533 10.446 1.00 24.31 H new ATOM 0 HD2 PRO A 649 13.352 1.077 10.772 1.00 1.53 H new ATOM 0 HD3 PRO A 649 11.882 1.526 11.615 1.00 1.53 H new ATOM 811 N ASP A 650 12.628 0.191 7.360 1.00 53.23 N ATOM 812 CA ASP A 650 13.297 -0.181 6.118 1.00 34.30 C ATOM 813 C ASP A 650 12.654 -1.422 5.505 1.00 54.31 C ATOM 814 O ASP A 650 12.973 -1.806 4.380 1.00 34.25 O ATOM 815 CB ASP A 650 14.784 -0.435 6.370 1.00 53.11 C ATOM 816 CG ASP A 650 15.218 -1.818 5.928 1.00 32.53 C ATOM 817 OD1 ASP A 650 15.531 -1.987 4.731 1.00 54.41 O ATOM 818 OD2 ASP A 650 15.246 -2.733 6.779 1.00 14.43 O ATOM 0 H ASP A 650 13.178 0.021 8.202 1.00 53.23 H new ATOM 0 HA ASP A 650 13.191 0.646 5.416 1.00 34.30 H new ATOM 0 HB2 ASP A 650 15.372 0.314 5.840 1.00 53.11 H new ATOM 0 HB3 ASP A 650 14.995 -0.313 7.432 1.00 53.11 H new ATOM 823 N GLU A 651 11.747 -2.042 6.253 1.00 73.41 N ATOM 824 CA GLU A 651 11.061 -3.241 5.783 1.00 52.02 C ATOM 825 C GLU A 651 9.590 -3.221 6.191 1.00 0.31 C ATOM 826 O GLU A 651 9.259 -2.944 7.344 1.00 24.45 O ATOM 827 CB GLU A 651 11.739 -4.495 6.339 1.00 75.14 C ATOM 828 CG GLU A 651 11.224 -5.787 5.727 1.00 60.22 C ATOM 829 CD GLU A 651 11.260 -6.948 6.701 1.00 62.23 C ATOM 830 OE1 GLU A 651 12.339 -7.560 6.853 1.00 34.33 O ATOM 831 OE2 GLU A 651 10.212 -7.247 7.309 1.00 0.22 O ATOM 0 H GLU A 651 11.470 -1.735 7.185 1.00 73.41 H new ATOM 0 HA GLU A 651 11.118 -3.258 4.695 1.00 52.02 H new ATOM 0 HB2 GLU A 651 12.813 -4.424 6.167 1.00 75.14 H new ATOM 0 HB3 GLU A 651 11.591 -4.530 7.418 1.00 75.14 H new ATOM 0 HG2 GLU A 651 10.201 -5.639 5.382 1.00 60.22 H new ATOM 0 HG3 GLU A 651 11.823 -6.034 4.851 1.00 60.22 H new ATOM 838 N ILE A 652 8.714 -3.516 5.237 1.00 60.04 N ATOM 839 CA ILE A 652 7.279 -3.533 5.496 1.00 3.34 C ATOM 840 C ILE A 652 6.597 -4.666 4.738 1.00 34.22 C ATOM 841 O ILE A 652 6.974 -4.988 3.612 1.00 11.31 O ATOM 842 CB ILE A 652 6.621 -2.197 5.104 1.00 71.05 C ATOM 843 CG1 ILE A 652 5.661 -1.734 6.202 1.00 72.43 C ATOM 844 CG2 ILE A 652 5.888 -2.339 3.778 1.00 41.33 C ATOM 845 CD1 ILE A 652 4.216 -1.685 5.760 1.00 53.11 C ATOM 0 H ILE A 652 8.972 -3.747 4.278 1.00 60.04 H new ATOM 0 HA ILE A 652 7.153 -3.690 6.567 1.00 3.34 H new ATOM 0 HB ILE A 652 7.401 -1.444 4.989 1.00 71.05 H new ATOM 0 HG12 ILE A 652 5.749 -2.405 7.056 1.00 72.43 H new ATOM 0 HG13 ILE A 652 5.962 -0.743 6.543 1.00 72.43 H new ATOM 0 HG21 ILE A 652 5.428 -1.387 3.513 1.00 41.33 H new ATOM 0 HG22 ILE A 652 6.595 -2.629 3.001 1.00 41.33 H new ATOM 0 HG23 ILE A 652 5.116 -3.103 3.869 1.00 41.33 H new ATOM 0 HD11 ILE A 652 3.593 -1.349 6.589 1.00 53.11 H new ATOM 0 HD12 ILE A 652 4.114 -0.992 4.925 1.00 53.11 H new ATOM 0 HD13 ILE A 652 3.897 -2.679 5.447 1.00 53.11 H new ATOM 857 N GLU A 653 5.590 -5.267 5.365 1.00 43.14 N ATOM 858 CA GLU A 653 4.854 -6.364 4.748 1.00 33.12 C ATOM 859 C GLU A 653 3.377 -6.013 4.599 1.00 14.50 C ATOM 860 O GLU A 653 2.599 -6.143 5.544 1.00 34.43 O ATOM 861 CB GLU A 653 5.005 -7.640 5.579 1.00 34.05 C ATOM 862 CG GLU A 653 5.324 -8.873 4.750 1.00 2.30 C ATOM 863 CD GLU A 653 6.113 -9.909 5.527 1.00 15.02 C ATOM 864 OE1 GLU A 653 6.208 -9.776 6.765 1.00 3.31 O ATOM 865 OE2 GLU A 653 6.634 -10.853 4.898 1.00 65.54 O ATOM 0 H GLU A 653 5.266 -5.013 6.298 1.00 43.14 H new ATOM 0 HA GLU A 653 5.271 -6.534 3.755 1.00 33.12 H new ATOM 0 HB2 GLU A 653 5.796 -7.493 6.315 1.00 34.05 H new ATOM 0 HB3 GLU A 653 4.083 -7.814 6.133 1.00 34.05 H new ATOM 0 HG2 GLU A 653 4.394 -9.319 4.397 1.00 2.30 H new ATOM 0 HG3 GLU A 653 5.891 -8.576 3.868 1.00 2.30 H new ATOM 872 N ILE A 654 2.998 -5.566 3.407 1.00 41.05 N ATOM 873 CA ILE A 654 1.615 -5.196 3.134 1.00 75.31 C ATOM 874 C ILE A 654 0.817 -6.390 2.619 1.00 44.21 C ATOM 875 O ILE A 654 1.016 -6.842 1.490 1.00 54.41 O ATOM 876 CB ILE A 654 1.530 -4.054 2.104 1.00 61.13 C ATOM 877 CG1 ILE A 654 2.516 -2.941 2.463 1.00 50.35 C ATOM 878 CG2 ILE A 654 0.111 -3.509 2.033 1.00 64.04 C ATOM 879 CD1 ILE A 654 2.562 -1.823 1.444 1.00 33.34 C ATOM 0 H ILE A 654 3.630 -5.451 2.614 1.00 41.05 H new ATOM 0 HA ILE A 654 1.188 -4.856 4.078 1.00 75.31 H new ATOM 0 HB ILE A 654 1.796 -4.448 1.123 1.00 61.13 H new ATOM 0 HG12 ILE A 654 2.245 -2.526 3.434 1.00 50.35 H new ATOM 0 HG13 ILE A 654 3.513 -3.369 2.566 1.00 50.35 H new ATOM 0 HG21 ILE A 654 0.067 -2.703 1.301 1.00 64.04 H new ATOM 0 HG22 ILE A 654 -0.571 -4.306 1.736 1.00 64.04 H new ATOM 0 HG23 ILE A 654 -0.181 -3.127 3.011 1.00 64.04 H new ATOM 0 HD11 ILE A 654 3.282 -1.069 1.763 1.00 33.34 H new ATOM 0 HD12 ILE A 654 2.862 -2.225 0.476 1.00 33.34 H new ATOM 0 HD13 ILE A 654 1.575 -1.369 1.358 1.00 33.34 H new ATOM 891 N ASP A 655 -0.085 -6.896 3.452 1.00 32.30 N ATOM 892 CA ASP A 655 -0.915 -8.036 3.081 1.00 60.25 C ATOM 893 C ASP A 655 -2.384 -7.635 3.003 1.00 34.31 C ATOM 894 O ASP A 655 -3.095 -7.641 4.009 1.00 65.25 O ATOM 895 CB ASP A 655 -0.736 -9.173 4.086 1.00 63.40 C ATOM 896 CG ASP A 655 0.680 -9.253 4.625 1.00 74.11 C ATOM 897 OD1 ASP A 655 1.625 -9.007 3.847 1.00 31.22 O ATOM 898 OD2 ASP A 655 0.841 -9.559 5.825 1.00 32.31 O ATOM 0 H ASP A 655 -0.260 -6.535 4.390 1.00 32.30 H new ATOM 0 HA ASP A 655 -0.598 -8.380 2.096 1.00 60.25 H new ATOM 0 HB2 ASP A 655 -1.430 -9.034 4.915 1.00 63.40 H new ATOM 0 HB3 ASP A 655 -0.994 -10.119 3.610 1.00 63.40 H new ATOM 903 N PHE A 656 -2.836 -7.287 1.802 1.00 23.30 N ATOM 904 CA PHE A 656 -4.220 -6.882 1.593 1.00 71.50 C ATOM 905 C PHE A 656 -5.183 -7.917 2.168 1.00 33.45 C ATOM 906 O PHE A 656 -6.302 -7.588 2.562 1.00 1.31 O ATOM 907 CB PHE A 656 -4.497 -6.687 0.101 1.00 13.32 C ATOM 908 CG PHE A 656 -4.006 -5.371 -0.432 1.00 13.25 C ATOM 909 CD1 PHE A 656 -3.163 -4.573 0.325 1.00 71.30 C ATOM 910 CD2 PHE A 656 -4.385 -4.932 -1.690 1.00 35.41 C ATOM 911 CE1 PHE A 656 -2.710 -3.362 -0.163 1.00 50.53 C ATOM 912 CE2 PHE A 656 -3.936 -3.723 -2.184 1.00 1.52 C ATOM 913 CZ PHE A 656 -3.096 -2.937 -1.420 1.00 12.44 C ATOM 0 H PHE A 656 -2.262 -7.278 0.959 1.00 23.30 H new ATOM 0 HA PHE A 656 -4.377 -5.937 2.112 1.00 71.50 H new ATOM 0 HB2 PHE A 656 -4.024 -7.495 -0.457 1.00 13.32 H new ATOM 0 HB3 PHE A 656 -5.570 -6.764 -0.074 1.00 13.32 H new ATOM 0 HD1 PHE A 656 -2.857 -4.901 1.307 1.00 71.30 H new ATOM 0 HD2 PHE A 656 -5.040 -5.543 -2.293 1.00 35.41 H new ATOM 0 HE1 PHE A 656 -2.055 -2.748 0.437 1.00 50.53 H new ATOM 0 HE2 PHE A 656 -4.241 -3.393 -3.166 1.00 1.52 H new ATOM 0 HZ PHE A 656 -2.741 -1.992 -1.804 1.00 12.44 H new ATOM 923 N GLU A 657 -4.738 -9.169 2.214 1.00 22.44 N ATOM 924 CA GLU A 657 -5.560 -10.252 2.740 1.00 30.32 C ATOM 925 C GLU A 657 -6.057 -9.925 4.146 1.00 44.03 C ATOM 926 O GLU A 657 -7.172 -10.287 4.524 1.00 60.21 O ATOM 927 CB GLU A 657 -4.768 -11.561 2.760 1.00 44.23 C ATOM 928 CG GLU A 657 -5.630 -12.791 2.985 1.00 70.25 C ATOM 929 CD GLU A 657 -4.857 -13.941 3.604 1.00 52.54 C ATOM 930 OE1 GLU A 657 -4.770 -13.994 4.848 1.00 22.51 O ATOM 931 OE2 GLU A 657 -4.340 -14.784 2.843 1.00 74.33 O ATOM 0 H GLU A 657 -3.814 -9.458 1.894 1.00 22.44 H new ATOM 0 HA GLU A 657 -6.424 -10.368 2.085 1.00 30.32 H new ATOM 0 HB2 GLU A 657 -4.236 -11.668 1.815 1.00 44.23 H new ATOM 0 HB3 GLU A 657 -4.014 -11.508 3.545 1.00 44.23 H new ATOM 0 HG2 GLU A 657 -6.467 -12.530 3.633 1.00 70.25 H new ATOM 0 HG3 GLU A 657 -6.053 -13.113 2.033 1.00 70.25 H new ATOM 938 N THR A 658 -5.219 -9.239 4.918 1.00 14.25 N ATOM 939 CA THR A 658 -5.571 -8.865 6.282 1.00 13.22 C ATOM 940 C THR A 658 -5.735 -7.354 6.412 1.00 32.12 C ATOM 941 O THR A 658 -6.384 -6.868 7.339 1.00 24.32 O ATOM 942 CB THR A 658 -4.508 -9.343 7.288 1.00 4.21 C ATOM 943 OG1 THR A 658 -4.870 -8.941 8.613 1.00 0.34 O ATOM 944 CG2 THR A 658 -3.139 -8.778 6.938 1.00 65.13 C ATOM 0 H THR A 658 -4.293 -8.932 4.622 1.00 14.25 H new ATOM 0 HA THR A 658 -6.519 -9.352 6.509 1.00 13.22 H new ATOM 0 HB THR A 658 -4.459 -10.431 7.240 1.00 4.21 H new ATOM 0 HG1 THR A 658 -4.189 -9.251 9.246 1.00 0.34 H new ATOM 0 HG21 THR A 658 -2.404 -9.129 7.663 1.00 65.13 H new ATOM 0 HG22 THR A 658 -2.852 -9.110 5.940 1.00 65.13 H new ATOM 0 HG23 THR A 658 -3.178 -7.689 6.960 1.00 65.13 H new ATOM 952 N LEU A 659 -5.143 -6.618 5.479 1.00 10.51 N ATOM 953 CA LEU A 659 -5.225 -5.161 5.489 1.00 4.05 C ATOM 954 C LEU A 659 -6.677 -4.696 5.508 1.00 35.21 C ATOM 955 O LEU A 659 -7.549 -5.322 4.904 1.00 10.05 O ATOM 956 CB LEU A 659 -4.508 -4.582 4.268 1.00 4.50 C ATOM 957 CG LEU A 659 -3.739 -3.280 4.496 1.00 1.44 C ATOM 958 CD1 LEU A 659 -2.555 -3.514 5.422 1.00 11.40 C ATOM 959 CD2 LEU A 659 -3.274 -2.696 3.170 1.00 75.21 C ATOM 0 H LEU A 659 -4.601 -7.005 4.706 1.00 10.51 H new ATOM 0 HA LEU A 659 -4.737 -4.801 6.395 1.00 4.05 H new ATOM 0 HB2 LEU A 659 -3.811 -5.331 3.892 1.00 4.50 H new ATOM 0 HB3 LEU A 659 -5.247 -4.412 3.485 1.00 4.50 H new ATOM 0 HG LEU A 659 -4.409 -2.563 4.971 1.00 1.44 H new ATOM 0 HD11 LEU A 659 -2.020 -2.576 5.572 1.00 11.40 H new ATOM 0 HD12 LEU A 659 -2.912 -3.886 6.382 1.00 11.40 H new ATOM 0 HD13 LEU A 659 -1.883 -4.247 4.976 1.00 11.40 H new ATOM 0 HD21 LEU A 659 -2.729 -1.770 3.352 1.00 75.21 H new ATOM 0 HD22 LEU A 659 -2.621 -3.409 2.667 1.00 75.21 H new ATOM 0 HD23 LEU A 659 -4.139 -2.490 2.540 1.00 75.21 H new ATOM 971 N LYS A 660 -6.931 -3.594 6.205 1.00 32.03 N ATOM 972 CA LYS A 660 -8.278 -3.042 6.301 1.00 43.22 C ATOM 973 C LYS A 660 -8.552 -2.076 5.152 1.00 10.33 C ATOM 974 O LYS A 660 -7.638 -1.576 4.497 1.00 61.31 O ATOM 975 CB LYS A 660 -8.463 -2.324 7.640 1.00 71.01 C ATOM 976 CG LYS A 660 -9.232 -3.140 8.665 1.00 10.30 C ATOM 977 CD LYS A 660 -9.602 -2.304 9.879 1.00 1.40 C ATOM 978 CE LYS A 660 -10.003 -3.179 11.056 1.00 14.43 C ATOM 979 NZ LYS A 660 -11.098 -2.563 11.856 1.00 4.15 N ATOM 0 H LYS A 660 -6.222 -3.065 6.712 1.00 32.03 H new ATOM 0 HA LYS A 660 -8.988 -3.867 6.237 1.00 43.22 H new ATOM 0 HB2 LYS A 660 -7.483 -2.074 8.047 1.00 71.01 H new ATOM 0 HB3 LYS A 660 -8.987 -1.383 7.469 1.00 71.01 H new ATOM 0 HG2 LYS A 660 -10.137 -3.540 8.208 1.00 10.30 H new ATOM 0 HG3 LYS A 660 -8.630 -3.992 8.979 1.00 10.30 H new ATOM 0 HD2 LYS A 660 -8.757 -1.677 10.162 1.00 1.40 H new ATOM 0 HD3 LYS A 660 -10.424 -1.635 9.625 1.00 1.40 H new ATOM 0 HE2 LYS A 660 -10.324 -4.154 10.691 1.00 14.43 H new ATOM 0 HE3 LYS A 660 -9.136 -3.348 11.695 1.00 14.43 H new ATOM 0 HZ1 LYS A 660 -11.343 -3.189 12.649 1.00 4.15 H new ATOM 0 HZ2 LYS A 660 -10.783 -1.643 12.226 1.00 4.15 H new ATOM 0 HZ3 LYS A 660 -11.934 -2.425 11.252 1.00 4.15 H new ATOM 993 N PRO A 661 -9.842 -1.804 4.902 1.00 21.42 N ATOM 994 CA PRO A 661 -10.267 -0.895 3.834 1.00 3.43 C ATOM 995 C PRO A 661 -9.917 0.559 4.138 1.00 41.12 C ATOM 996 O PRO A 661 -9.536 1.315 3.244 1.00 51.43 O ATOM 997 CB PRO A 661 -11.785 -1.082 3.792 1.00 43.12 C ATOM 998 CG PRO A 661 -12.148 -1.543 5.161 1.00 53.41 C ATOM 999 CD PRO A 661 -10.985 -2.363 5.644 1.00 64.01 C ATOM 0 HA PRO A 661 -9.771 -1.116 2.889 1.00 3.43 H new ATOM 0 HB2 PRO A 661 -12.292 -0.150 3.541 1.00 43.12 H new ATOM 0 HB3 PRO A 661 -12.073 -1.815 3.038 1.00 43.12 H new ATOM 0 HG2 PRO A 661 -12.330 -0.696 5.823 1.00 53.41 H new ATOM 0 HG3 PRO A 661 -13.063 -2.136 5.143 1.00 53.41 H new ATOM 0 HD2 PRO A 661 -10.848 -2.271 6.721 1.00 64.01 H new ATOM 0 HD3 PRO A 661 -11.124 -3.423 5.430 1.00 64.01 H new ATOM 1007 N SER A 662 -10.049 0.943 5.403 1.00 20.11 N ATOM 1008 CA SER A 662 -9.750 2.306 5.823 1.00 14.41 C ATOM 1009 C SER A 662 -8.372 2.736 5.332 1.00 10.51 C ATOM 1010 O SER A 662 -8.211 3.816 4.761 1.00 31.14 O ATOM 1011 CB SER A 662 -9.821 2.420 7.347 1.00 1.22 C ATOM 1012 OG SER A 662 -10.947 3.179 7.751 1.00 53.43 O ATOM 0 H SER A 662 -10.361 0.329 6.155 1.00 20.11 H new ATOM 0 HA SER A 662 -10.495 2.968 5.382 1.00 14.41 H new ATOM 0 HB2 SER A 662 -9.873 1.424 7.787 1.00 1.22 H new ATOM 0 HB3 SER A 662 -8.910 2.887 7.722 1.00 1.22 H new ATOM 0 HG SER A 662 -10.970 3.235 8.729 1.00 53.43 H new ATOM 1018 N THR A 663 -7.377 1.884 5.560 1.00 61.24 N ATOM 1019 CA THR A 663 -6.011 2.174 5.143 1.00 54.21 C ATOM 1020 C THR A 663 -5.871 2.098 3.626 1.00 24.13 C ATOM 1021 O THR A 663 -5.337 3.010 2.995 1.00 5.32 O ATOM 1022 CB THR A 663 -5.008 1.202 5.790 1.00 22.41 C ATOM 1023 OG1 THR A 663 -5.030 1.350 7.214 1.00 43.11 O ATOM 1024 CG2 THR A 663 -3.600 1.452 5.270 1.00 21.15 C ATOM 0 H THR A 663 -7.492 0.987 6.032 1.00 61.24 H new ATOM 0 HA THR A 663 -5.788 3.188 5.475 1.00 54.21 H new ATOM 0 HB THR A 663 -5.300 0.185 5.527 1.00 22.41 H new ATOM 0 HG1 THR A 663 -4.807 0.494 7.635 1.00 43.11 H new ATOM 0 HG21 THR A 663 -2.909 0.753 5.741 1.00 21.15 H new ATOM 0 HG22 THR A 663 -3.580 1.309 4.190 1.00 21.15 H new ATOM 0 HG23 THR A 663 -3.301 2.473 5.506 1.00 21.15 H new ATOM 1032 N LEU A 664 -6.354 1.004 3.047 1.00 74.21 N ATOM 1033 CA LEU A 664 -6.284 0.808 1.604 1.00 64.13 C ATOM 1034 C LEU A 664 -6.785 2.042 0.861 1.00 2.44 C ATOM 1035 O LEU A 664 -6.135 2.530 -0.063 1.00 44.12 O ATOM 1036 CB LEU A 664 -7.104 -0.415 1.194 1.00 72.41 C ATOM 1037 CG LEU A 664 -6.311 -1.691 0.908 1.00 41.04 C ATOM 1038 CD1 LEU A 664 -7.069 -2.913 1.403 1.00 44.12 C ATOM 1039 CD2 LEU A 664 -6.014 -1.812 -0.580 1.00 13.21 C ATOM 0 H LEU A 664 -6.798 0.239 3.555 1.00 74.21 H new ATOM 0 HA LEU A 664 -5.240 0.644 1.336 1.00 64.13 H new ATOM 0 HB2 LEU A 664 -7.822 -0.628 1.986 1.00 72.41 H new ATOM 0 HB3 LEU A 664 -7.678 -0.160 0.303 1.00 72.41 H new ATOM 0 HG LEU A 664 -5.364 -1.635 1.444 1.00 41.04 H new ATOM 0 HD11 LEU A 664 -6.489 -3.811 1.191 1.00 44.12 H new ATOM 0 HD12 LEU A 664 -7.230 -2.831 2.478 1.00 44.12 H new ATOM 0 HD13 LEU A 664 -8.032 -2.974 0.896 1.00 44.12 H new ATOM 0 HD21 LEU A 664 -5.449 -2.726 -0.765 1.00 13.21 H new ATOM 0 HD22 LEU A 664 -6.951 -1.845 -1.136 1.00 13.21 H new ATOM 0 HD23 LEU A 664 -5.429 -0.952 -0.905 1.00 13.21 H new ATOM 1051 N ARG A 665 -7.944 2.544 1.274 1.00 12.51 N ATOM 1052 CA ARG A 665 -8.532 3.723 0.650 1.00 71.14 C ATOM 1053 C ARG A 665 -7.641 4.946 0.847 1.00 12.03 C ATOM 1054 O ARG A 665 -7.599 5.839 0.002 1.00 61.45 O ATOM 1055 CB ARG A 665 -9.922 3.993 1.227 1.00 35.02 C ATOM 1056 CG ARG A 665 -10.795 4.864 0.337 1.00 62.44 C ATOM 1057 CD ARG A 665 -12.255 4.804 0.757 1.00 70.22 C ATOM 1058 NE ARG A 665 -13.149 4.666 -0.389 1.00 61.24 N ATOM 1059 CZ ARG A 665 -13.494 5.677 -1.178 1.00 32.52 C ATOM 1060 NH1 ARG A 665 -13.022 6.893 -0.947 1.00 15.34 N ATOM 1061 NH2 ARG A 665 -14.314 5.471 -2.201 1.00 44.14 N ATOM 0 H ARG A 665 -8.495 2.153 2.038 1.00 12.51 H new ATOM 0 HA ARG A 665 -8.621 3.529 -0.419 1.00 71.14 H new ATOM 0 HB2 ARG A 665 -10.426 3.042 1.396 1.00 35.02 H new ATOM 0 HB3 ARG A 665 -9.815 4.475 2.199 1.00 35.02 H new ATOM 0 HG2 ARG A 665 -10.445 5.895 0.380 1.00 62.44 H new ATOM 0 HG3 ARG A 665 -10.700 4.538 -0.699 1.00 62.44 H new ATOM 0 HD2 ARG A 665 -12.403 3.964 1.435 1.00 70.22 H new ATOM 0 HD3 ARG A 665 -12.511 5.708 1.309 1.00 70.22 H new ATOM 0 HE ARG A 665 -13.530 3.742 -0.595 1.00 61.24 H new ATOM 0 HH11 ARG A 665 -12.392 7.055 -0.161 1.00 15.34 H new ATOM 0 HH12 ARG A 665 -13.289 7.668 -1.555 1.00 15.34 H new ATOM 0 HH21 ARG A 665 -14.679 4.536 -2.381 1.00 44.14 H new ATOM 0 HH22 ARG A 665 -14.579 6.248 -2.807 1.00 44.14 H new ATOM 1075 N GLU A 666 -6.932 4.979 1.971 1.00 43.10 N ATOM 1076 CA GLU A 666 -6.043 6.093 2.280 1.00 63.12 C ATOM 1077 C GLU A 666 -5.028 6.305 1.161 1.00 2.12 C ATOM 1078 O GLU A 666 -4.931 7.394 0.594 1.00 45.25 O ATOM 1079 CB GLU A 666 -5.315 5.842 3.603 1.00 72.34 C ATOM 1080 CG GLU A 666 -5.369 7.021 4.561 1.00 74.54 C ATOM 1081 CD GLU A 666 -5.113 6.615 5.999 1.00 53.10 C ATOM 1082 OE1 GLU A 666 -4.679 5.466 6.224 1.00 5.40 O ATOM 1083 OE2 GLU A 666 -5.346 7.448 6.900 1.00 74.44 O ATOM 0 H GLU A 666 -6.956 4.248 2.682 1.00 43.10 H new ATOM 0 HA GLU A 666 -6.650 6.994 2.373 1.00 63.12 H new ATOM 0 HB2 GLU A 666 -5.752 4.970 4.089 1.00 72.34 H new ATOM 0 HB3 GLU A 666 -4.273 5.602 3.394 1.00 72.34 H new ATOM 0 HG2 GLU A 666 -4.630 7.763 4.260 1.00 74.54 H new ATOM 0 HG3 GLU A 666 -6.347 7.498 4.490 1.00 74.54 H new ATOM 1090 N LEU A 667 -4.272 5.258 0.849 1.00 21.41 N ATOM 1091 CA LEU A 667 -3.263 5.328 -0.202 1.00 14.33 C ATOM 1092 C LEU A 667 -3.858 5.886 -1.491 1.00 44.31 C ATOM 1093 O LEU A 667 -3.284 6.779 -2.114 1.00 50.33 O ATOM 1094 CB LEU A 667 -2.668 3.943 -0.460 1.00 24.24 C ATOM 1095 CG LEU A 667 -2.093 3.223 0.761 1.00 32.21 C ATOM 1096 CD1 LEU A 667 -1.612 4.227 1.797 1.00 72.45 C ATOM 1097 CD2 LEU A 667 -3.131 2.286 1.364 1.00 1.43 C ATOM 0 H LEU A 667 -4.339 4.350 1.309 1.00 21.41 H new ATOM 0 HA LEU A 667 -2.472 5.999 0.133 1.00 14.33 H new ATOM 0 HB2 LEU A 667 -3.442 3.313 -0.898 1.00 24.24 H new ATOM 0 HB3 LEU A 667 -1.878 4.042 -1.205 1.00 24.24 H new ATOM 0 HG LEU A 667 -1.238 2.628 0.439 1.00 32.21 H new ATOM 0 HD11 LEU A 667 -1.207 3.695 2.658 1.00 72.45 H new ATOM 0 HD12 LEU A 667 -0.836 4.857 1.361 1.00 72.45 H new ATOM 0 HD13 LEU A 667 -2.448 4.850 2.116 1.00 72.45 H new ATOM 0 HD21 LEU A 667 -2.706 1.782 2.232 1.00 1.43 H new ATOM 0 HD22 LEU A 667 -4.005 2.860 1.671 1.00 1.43 H new ATOM 0 HD23 LEU A 667 -3.426 1.544 0.622 1.00 1.43 H new ATOM 1109 N GLU A 668 -5.011 5.355 -1.884 1.00 62.30 N ATOM 1110 CA GLU A 668 -5.684 5.801 -3.098 1.00 43.12 C ATOM 1111 C GLU A 668 -5.848 7.318 -3.103 1.00 30.22 C ATOM 1112 O GLU A 668 -5.763 7.959 -4.151 1.00 24.05 O ATOM 1113 CB GLU A 668 -7.052 5.128 -3.227 1.00 4.20 C ATOM 1114 CG GLU A 668 -7.767 5.448 -4.529 1.00 23.14 C ATOM 1115 CD GLU A 668 -9.102 4.740 -4.650 1.00 72.33 C ATOM 1116 OE1 GLU A 668 -10.042 5.120 -3.922 1.00 35.11 O ATOM 1117 OE2 GLU A 668 -9.206 3.805 -5.472 1.00 33.13 O ATOM 0 H GLU A 668 -5.499 4.615 -1.379 1.00 62.30 H new ATOM 0 HA GLU A 668 -5.066 5.517 -3.950 1.00 43.12 H new ATOM 0 HB2 GLU A 668 -6.925 4.048 -3.148 1.00 4.20 H new ATOM 0 HB3 GLU A 668 -7.680 5.438 -2.392 1.00 4.20 H new ATOM 0 HG2 GLU A 668 -7.923 6.525 -4.598 1.00 23.14 H new ATOM 0 HG3 GLU A 668 -7.132 5.163 -5.368 1.00 23.14 H new ATOM 1124 N ARG A 669 -6.084 7.886 -1.924 1.00 72.14 N ATOM 1125 CA ARG A 669 -6.262 9.326 -1.792 1.00 34.14 C ATOM 1126 C ARG A 669 -4.968 10.067 -2.118 1.00 32.21 C ATOM 1127 O ARG A 669 -4.993 11.179 -2.644 1.00 71.42 O ATOM 1128 CB ARG A 669 -6.720 9.677 -0.375 1.00 51.21 C ATOM 1129 CG ARG A 669 -8.079 10.355 -0.324 1.00 12.51 C ATOM 1130 CD ARG A 669 -9.134 9.447 0.288 1.00 64.21 C ATOM 1131 NE ARG A 669 -10.416 9.553 -0.403 1.00 62.10 N ATOM 1132 CZ ARG A 669 -11.240 10.586 -0.267 1.00 62.40 C ATOM 1133 NH1 ARG A 669 -10.918 11.595 0.530 1.00 42.41 N ATOM 1134 NH2 ARG A 669 -12.390 10.610 -0.928 1.00 65.45 N ATOM 0 H ARG A 669 -6.156 7.370 -1.047 1.00 72.14 H new ATOM 0 HA ARG A 669 -7.028 9.638 -2.502 1.00 34.14 H new ATOM 0 HB2 ARG A 669 -6.755 8.766 0.222 1.00 51.21 H new ATOM 0 HB3 ARG A 669 -5.980 10.331 0.085 1.00 51.21 H new ATOM 0 HG2 ARG A 669 -8.006 11.274 0.258 1.00 12.51 H new ATOM 0 HG3 ARG A 669 -8.383 10.639 -1.332 1.00 12.51 H new ATOM 0 HD2 ARG A 669 -8.788 8.414 0.253 1.00 64.21 H new ATOM 0 HD3 ARG A 669 -9.267 9.703 1.339 1.00 64.21 H new ATOM 0 HE ARG A 669 -10.694 8.793 -1.024 1.00 62.10 H new ATOM 0 HH11 ARG A 669 -10.035 11.580 1.041 1.00 42.41 H new ATOM 0 HH12 ARG A 669 -11.553 12.387 0.632 1.00 42.41 H new ATOM 0 HH21 ARG A 669 -12.642 9.835 -1.541 1.00 65.45 H new ATOM 0 HH22 ARG A 669 -13.022 11.404 -0.823 1.00 65.45 H new ATOM 1148 N TYR A 670 -3.840 9.441 -1.800 1.00 42.33 N ATOM 1149 CA TYR A 670 -2.536 10.042 -2.057 1.00 32.45 C ATOM 1150 C TYR A 670 -2.095 9.795 -3.496 1.00 54.23 C ATOM 1151 O TYR A 670 -1.734 10.726 -4.216 1.00 2.24 O ATOM 1152 CB TYR A 670 -1.493 9.479 -1.090 1.00 32.41 C ATOM 1153 CG TYR A 670 -1.168 10.408 0.058 1.00 52.12 C ATOM 1154 CD1 TYR A 670 -2.179 10.992 0.812 1.00 54.31 C ATOM 1155 CD2 TYR A 670 0.148 10.703 0.389 1.00 61.54 C ATOM 1156 CE1 TYR A 670 -1.887 11.842 1.861 1.00 11.41 C ATOM 1157 CE2 TYR A 670 0.450 11.550 1.437 1.00 30.31 C ATOM 1158 CZ TYR A 670 -0.571 12.118 2.170 1.00 32.15 C ATOM 1159 OH TYR A 670 -0.275 12.963 3.215 1.00 54.44 O ATOM 0 H TYR A 670 -3.802 8.519 -1.365 1.00 42.33 H new ATOM 0 HA TYR A 670 -2.624 11.117 -1.903 1.00 32.45 H new ATOM 0 HB2 TYR A 670 -1.855 8.532 -0.689 1.00 32.41 H new ATOM 0 HB3 TYR A 670 -0.578 9.262 -1.641 1.00 32.41 H new ATOM 0 HD1 TYR A 670 -3.210 10.778 0.574 1.00 54.31 H new ATOM 0 HD2 TYR A 670 0.950 10.262 -0.184 1.00 61.54 H new ATOM 0 HE1 TYR A 670 -2.685 12.288 2.436 1.00 11.41 H new ATOM 0 HE2 TYR A 670 1.480 11.766 1.681 1.00 30.31 H new ATOM 0 HH TYR A 670 0.697 13.050 3.300 1.00 54.44 H new ATOM 1169 N VAL A 671 -2.131 8.532 -3.911 1.00 13.33 N ATOM 1170 CA VAL A 671 -1.738 8.161 -5.265 1.00 13.01 C ATOM 1171 C VAL A 671 -2.553 8.924 -6.303 1.00 41.43 C ATOM 1172 O VAL A 671 -2.063 9.233 -7.389 1.00 74.04 O ATOM 1173 CB VAL A 671 -1.909 6.649 -5.505 1.00 24.11 C ATOM 1174 CG1 VAL A 671 -3.377 6.303 -5.710 1.00 5.44 C ATOM 1175 CG2 VAL A 671 -1.076 6.201 -6.696 1.00 22.23 C ATOM 0 H VAL A 671 -2.428 7.749 -3.329 1.00 13.33 H new ATOM 0 HA VAL A 671 -0.685 8.422 -5.371 1.00 13.01 H new ATOM 0 HB VAL A 671 -1.555 6.117 -4.622 1.00 24.11 H new ATOM 0 HG11 VAL A 671 -3.478 5.231 -5.878 1.00 5.44 H new ATOM 0 HG12 VAL A 671 -3.945 6.586 -4.824 1.00 5.44 H new ATOM 0 HG13 VAL A 671 -3.761 6.844 -6.575 1.00 5.44 H new ATOM 0 HG21 VAL A 671 -1.209 5.130 -6.851 1.00 22.23 H new ATOM 0 HG22 VAL A 671 -1.397 6.739 -7.588 1.00 22.23 H new ATOM 0 HG23 VAL A 671 -0.024 6.412 -6.504 1.00 22.23 H new ATOM 1185 N THR A 672 -3.802 9.227 -5.961 1.00 32.24 N ATOM 1186 CA THR A 672 -4.687 9.954 -6.863 1.00 20.43 C ATOM 1187 C THR A 672 -4.378 11.446 -6.852 1.00 25.22 C ATOM 1188 O THR A 672 -4.490 12.120 -7.875 1.00 40.53 O ATOM 1189 CB THR A 672 -6.166 9.744 -6.488 1.00 13.53 C ATOM 1190 OG1 THR A 672 -6.509 8.358 -6.597 1.00 4.20 O ATOM 1191 CG2 THR A 672 -7.074 10.570 -7.386 1.00 52.24 C ATOM 0 H THR A 672 -4.223 8.980 -5.066 1.00 32.24 H new ATOM 0 HA THR A 672 -4.514 9.558 -7.864 1.00 20.43 H new ATOM 0 HB THR A 672 -6.306 10.071 -5.458 1.00 13.53 H new ATOM 0 HG1 THR A 672 -6.409 7.926 -5.723 1.00 4.20 H new ATOM 0 HG21 THR A 672 -8.114 10.405 -7.102 1.00 52.24 H new ATOM 0 HG22 THR A 672 -6.831 11.627 -7.276 1.00 52.24 H new ATOM 0 HG23 THR A 672 -6.929 10.270 -8.424 1.00 52.24 H new ATOM 1199 N SER A 673 -3.986 11.956 -5.689 1.00 23.00 N ATOM 1200 CA SER A 673 -3.662 13.370 -5.545 1.00 54.21 C ATOM 1201 C SER A 673 -2.381 13.714 -6.297 1.00 24.01 C ATOM 1202 O SER A 673 -2.231 14.820 -6.817 1.00 50.24 O ATOM 1203 CB SER A 673 -3.512 13.733 -4.067 1.00 13.24 C ATOM 1204 OG SER A 673 -2.819 14.959 -3.910 1.00 24.34 O ATOM 0 H SER A 673 -3.885 11.411 -4.833 1.00 23.00 H new ATOM 0 HA SER A 673 -4.480 13.949 -5.973 1.00 54.21 H new ATOM 0 HB2 SER A 673 -4.497 13.807 -3.606 1.00 13.24 H new ATOM 0 HB3 SER A 673 -2.975 12.939 -3.547 1.00 13.24 H new ATOM 0 HG SER A 673 -2.738 15.169 -2.956 1.00 24.34 H new ATOM 1210 N CYS A 674 -1.458 12.759 -6.349 1.00 13.01 N ATOM 1211 CA CYS A 674 -0.188 12.960 -7.037 1.00 1.13 C ATOM 1212 C CYS A 674 -0.308 12.605 -8.515 1.00 72.43 C ATOM 1213 O CYS A 674 0.079 13.386 -9.386 1.00 62.32 O ATOM 1214 CB CYS A 674 0.908 12.116 -6.384 1.00 12.11 C ATOM 1215 SG CYS A 674 1.206 12.509 -4.644 1.00 54.43 S ATOM 0 H CYS A 674 -1.566 11.839 -5.923 1.00 13.01 H new ATOM 0 HA CYS A 674 0.078 14.014 -6.956 1.00 1.13 H new ATOM 0 HB2 CYS A 674 0.638 11.063 -6.466 1.00 12.11 H new ATOM 0 HB3 CYS A 674 1.836 12.252 -6.940 1.00 12.11 H new ATOM 0 HG CYS A 674 0.232 12.041 -3.921 1.00 54.43 H new ATOM 1221 N LEU A 675 -0.844 11.421 -8.792 1.00 63.52 N ATOM 1222 CA LEU A 675 -1.013 10.960 -10.165 1.00 50.35 C ATOM 1223 C LEU A 675 -2.043 11.811 -10.902 1.00 33.50 C ATOM 1224 O LEU A 675 -1.982 11.959 -12.123 1.00 22.43 O ATOM 1225 CB LEU A 675 -1.442 9.492 -10.183 1.00 74.03 C ATOM 1226 CG LEU A 675 -1.114 8.712 -11.457 1.00 31.11 C ATOM 1227 CD1 LEU A 675 0.389 8.657 -11.677 1.00 24.40 C ATOM 1228 CD2 LEU A 675 -1.698 7.308 -11.387 1.00 23.12 C ATOM 0 H LEU A 675 -1.169 10.763 -8.083 1.00 63.52 H new ATOM 0 HA LEU A 675 -0.055 11.058 -10.675 1.00 50.35 H new ATOM 0 HB2 LEU A 675 -0.971 8.986 -9.340 1.00 74.03 H new ATOM 0 HB3 LEU A 675 -2.519 9.447 -10.021 1.00 74.03 H new ATOM 0 HG LEU A 675 -1.565 9.229 -12.304 1.00 31.11 H new ATOM 0 HD11 LEU A 675 0.603 8.098 -12.588 1.00 24.40 H new ATOM 0 HD12 LEU A 675 0.780 9.670 -11.772 1.00 24.40 H new ATOM 0 HD13 LEU A 675 0.863 8.163 -10.829 1.00 24.40 H new ATOM 0 HD21 LEU A 675 -1.455 6.767 -12.302 1.00 23.12 H new ATOM 0 HD22 LEU A 675 -1.277 6.781 -10.531 1.00 23.12 H new ATOM 0 HD23 LEU A 675 -2.781 7.369 -11.278 1.00 23.12 H new ATOM 1240 N ARG A 676 -2.986 12.369 -10.152 1.00 15.33 N ATOM 1241 CA ARG A 676 -4.029 13.207 -10.734 1.00 12.33 C ATOM 1242 C ARG A 676 -4.895 12.404 -11.700 1.00 14.32 C ATOM 1243 O ARG A 676 -5.265 12.889 -12.769 1.00 62.14 O ATOM 1244 CB ARG A 676 -3.408 14.401 -11.461 1.00 43.04 C ATOM 1245 CG ARG A 676 -4.398 15.512 -11.763 1.00 55.55 C ATOM 1246 CD ARG A 676 -3.700 16.855 -11.916 1.00 23.41 C ATOM 1247 NE ARG A 676 -4.160 17.581 -13.097 1.00 10.03 N ATOM 1248 CZ ARG A 676 -5.373 18.110 -13.207 1.00 74.22 C ATOM 1249 NH1 ARG A 676 -6.244 17.996 -12.213 1.00 42.23 N ATOM 1250 NH2 ARG A 676 -5.718 18.757 -14.314 1.00 32.55 N ATOM 0 H ARG A 676 -3.050 12.257 -9.140 1.00 15.33 H new ATOM 0 HA ARG A 676 -4.660 13.572 -9.924 1.00 12.33 H new ATOM 0 HB2 ARG A 676 -2.597 14.804 -10.854 1.00 43.04 H new ATOM 0 HB3 ARG A 676 -2.965 14.056 -12.396 1.00 43.04 H new ATOM 0 HG2 ARG A 676 -4.942 15.277 -12.678 1.00 55.55 H new ATOM 0 HG3 ARG A 676 -5.134 15.573 -10.961 1.00 55.55 H new ATOM 0 HD2 ARG A 676 -3.879 17.460 -11.027 1.00 23.41 H new ATOM 0 HD3 ARG A 676 -2.623 16.698 -11.984 1.00 23.41 H new ATOM 0 HE ARG A 676 -3.515 17.687 -13.880 1.00 10.03 H new ATOM 0 HH11 ARG A 676 -5.983 17.501 -11.360 1.00 42.23 H new ATOM 0 HH12 ARG A 676 -7.175 18.404 -12.301 1.00 42.23 H new ATOM 0 HH21 ARG A 676 -5.051 18.848 -15.080 1.00 32.55 H new ATOM 0 HH22 ARG A 676 -6.650 19.163 -14.398 1.00 32.55 H new ATOM 1264 N LYS A 677 -5.217 11.174 -11.315 1.00 62.50 N ATOM 1265 CA LYS A 677 -6.039 10.302 -12.145 1.00 73.43 C ATOM 1266 C LYS A 677 -6.347 8.994 -11.423 1.00 61.11 C ATOM 1267 O LYS A 677 -5.761 8.694 -10.382 1.00 13.42 O ATOM 1268 CB LYS A 677 -5.334 10.012 -13.471 1.00 75.55 C ATOM 1269 CG LYS A 677 -3.994 9.316 -13.309 1.00 24.23 C ATOM 1270 CD LYS A 677 -3.625 8.517 -14.547 1.00 43.31 C ATOM 1271 CE LYS A 677 -2.621 9.263 -15.412 1.00 5.21 C ATOM 1272 NZ LYS A 677 -3.260 10.369 -16.177 1.00 50.44 N ATOM 0 H LYS A 677 -4.921 10.758 -10.432 1.00 62.50 H new ATOM 0 HA LYS A 677 -6.980 10.815 -12.346 1.00 73.43 H new ATOM 0 HB2 LYS A 677 -5.983 9.392 -14.090 1.00 75.55 H new ATOM 0 HB3 LYS A 677 -5.184 10.950 -14.006 1.00 75.55 H new ATOM 0 HG2 LYS A 677 -3.220 10.057 -13.110 1.00 24.23 H new ATOM 0 HG3 LYS A 677 -4.030 8.653 -12.445 1.00 24.23 H new ATOM 0 HD2 LYS A 677 -3.207 7.555 -14.250 1.00 43.31 H new ATOM 0 HD3 LYS A 677 -4.523 8.308 -15.128 1.00 43.31 H new ATOM 0 HE2 LYS A 677 -1.829 9.668 -14.782 1.00 5.21 H new ATOM 0 HE3 LYS A 677 -2.151 8.566 -16.106 1.00 5.21 H new ATOM 0 HZ1 LYS A 677 -2.553 10.820 -16.792 1.00 50.44 H new ATOM 0 HZ2 LYS A 677 -4.032 9.987 -16.759 1.00 50.44 H new ATOM 0 HZ3 LYS A 677 -3.642 11.074 -15.515 1.00 50.44 H new ATOM 1286 N LYS A 678 -7.267 8.216 -11.983 1.00 72.31 N ATOM 1287 CA LYS A 678 -7.650 6.938 -11.396 1.00 3.32 C ATOM 1288 C LYS A 678 -6.920 5.785 -12.076 1.00 62.05 C ATOM 1289 O LYS A 678 -7.418 4.661 -12.055 1.00 74.43 O ATOM 1290 CB LYS A 678 -9.163 6.735 -11.507 1.00 44.01 C ATOM 1291 CG LYS A 678 -9.709 5.690 -10.549 1.00 12.13 C ATOM 1292 CD LYS A 678 -10.805 4.861 -11.195 1.00 73.20 C ATOM 1293 CE LYS A 678 -12.056 4.821 -10.330 1.00 22.43 C ATOM 1294 NZ LYS A 678 -12.718 6.152 -10.249 1.00 52.33 N ATOM 0 H LYS A 678 -7.762 8.449 -12.844 1.00 72.31 H new ATOM 0 HA LYS A 678 -7.368 6.952 -10.343 1.00 3.32 H new ATOM 0 HB2 LYS A 678 -9.663 7.685 -11.319 1.00 44.01 H new ATOM 0 HB3 LYS A 678 -9.408 6.443 -12.528 1.00 44.01 H new ATOM 0 HG2 LYS A 678 -8.900 5.036 -10.224 1.00 12.13 H new ATOM 0 HG3 LYS A 678 -10.100 6.181 -9.658 1.00 12.13 H new ATOM 0 HD2 LYS A 678 -11.050 5.278 -12.172 1.00 73.20 H new ATOM 0 HD3 LYS A 678 -10.444 3.846 -11.362 1.00 73.20 H new ATOM 0 HE2 LYS A 678 -12.756 4.092 -10.738 1.00 22.43 H new ATOM 0 HE3 LYS A 678 -11.793 4.485 -9.327 1.00 22.43 H new ATOM 0 HZ1 LYS A 678 -13.693 6.035 -9.907 1.00 52.33 H new ATOM 0 HZ2 LYS A 678 -12.192 6.762 -9.592 1.00 52.33 H new ATOM 0 HZ3 LYS A 678 -12.733 6.590 -11.192 1.00 52.33 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.798 4.092 -3.165 1.00 2.24 N ATOM 1310 CA THR B 389 15.349 4.246 -3.120 1.00 1.32 C ATOM 1311 C THR B 389 14.684 3.013 -2.522 1.00 20.15 C ATOM 1312 O THR B 389 15.360 2.099 -2.048 1.00 73.22 O ATOM 1313 CB THR B 389 14.767 4.501 -4.523 1.00 23.45 C ATOM 1314 OG1 THR B 389 15.822 4.546 -5.490 1.00 53.42 O ATOM 1315 CG2 THR B 389 13.985 5.805 -4.557 1.00 34.25 C ATOM 0 HA THR B 389 15.142 5.109 -2.487 1.00 1.32 H new ATOM 0 HB THR B 389 14.088 3.683 -4.764 1.00 23.45 H new ATOM 0 HG1 THR B 389 16.663 4.269 -5.070 1.00 53.42 H new ATOM 0 HG21 THR B 389 13.584 5.963 -5.558 1.00 34.25 H new ATOM 0 HG22 THR B 389 13.165 5.756 -3.841 1.00 34.25 H new ATOM 0 HG23 THR B 389 14.645 6.632 -4.296 1.00 34.25 H new ATOM 1323 N TRP B 390 13.356 2.992 -2.546 1.00 12.11 N ATOM 1324 CA TRP B 390 12.599 1.868 -2.006 1.00 1.32 C ATOM 1325 C TRP B 390 12.380 0.798 -3.069 1.00 62.53 C ATOM 1326 O TRP B 390 12.718 0.993 -4.238 1.00 34.31 O ATOM 1327 CB TRP B 390 11.252 2.349 -1.464 1.00 33.33 C ATOM 1328 CG TRP B 390 11.304 2.759 -0.023 1.00 21.34 C ATOM 1329 CD1 TRP B 390 11.976 3.825 0.502 1.00 52.23 C ATOM 1330 CD2 TRP B 390 10.660 2.108 1.077 1.00 12.13 C ATOM 1331 NE1 TRP B 390 11.788 3.877 1.862 1.00 64.21 N ATOM 1332 CE2 TRP B 390 10.984 2.834 2.239 1.00 12.33 C ATOM 1333 CE3 TRP B 390 9.838 0.983 1.194 1.00 21.23 C ATOM 1334 CZ2 TRP B 390 10.516 2.470 3.499 1.00 1.54 C ATOM 1335 CZ3 TRP B 390 9.375 0.624 2.445 1.00 21.50 C ATOM 1336 CH2 TRP B 390 9.715 1.365 3.584 1.00 33.14 C ATOM 0 H TRP B 390 12.781 3.740 -2.933 1.00 12.11 H new ATOM 0 HA TRP B 390 13.176 1.431 -1.191 1.00 1.32 H new ATOM 0 HB2 TRP B 390 10.908 3.193 -2.062 1.00 33.33 H new ATOM 0 HB3 TRP B 390 10.516 1.554 -1.582 1.00 33.33 H new ATOM 0 HD1 TRP B 390 12.569 4.525 -0.068 1.00 52.23 H new ATOM 0 HE1 TRP B 390 12.183 4.578 2.489 1.00 64.21 H new ATOM 0 HE3 TRP B 390 9.570 0.405 0.322 1.00 21.23 H new ATOM 0 HZ2 TRP B 390 10.777 3.040 4.378 1.00 1.54 H new ATOM 0 HZ3 TRP B 390 8.740 -0.243 2.547 1.00 21.50 H new ATOM 0 HH2 TRP B 390 9.337 1.058 4.548 1.00 33.14 H new ATOM 1347 N ARG B 391 11.814 -0.332 -2.658 1.00 1.22 N ATOM 1348 CA ARG B 391 11.552 -1.433 -3.577 1.00 21.13 C ATOM 1349 C ARG B 391 10.275 -2.173 -3.188 1.00 31.12 C ATOM 1350 O ARG B 391 9.802 -2.064 -2.056 1.00 20.32 O ATOM 1351 CB ARG B 391 12.733 -2.406 -3.591 1.00 52.43 C ATOM 1352 CG ARG B 391 13.005 -3.055 -2.244 1.00 31.15 C ATOM 1353 CD ARG B 391 14.415 -3.619 -2.171 1.00 61.12 C ATOM 1354 NE ARG B 391 14.605 -4.737 -3.091 1.00 32.01 N ATOM 1355 CZ ARG B 391 15.798 -5.192 -3.458 1.00 51.43 C ATOM 1356 NH1 ARG B 391 16.901 -4.627 -2.985 1.00 51.13 N ATOM 1357 NH2 ARG B 391 15.890 -6.213 -4.300 1.00 75.43 N ATOM 0 H ARG B 391 11.528 -0.509 -1.695 1.00 1.22 H new ATOM 0 HA ARG B 391 11.421 -1.016 -4.576 1.00 21.13 H new ATOM 0 HB2 ARG B 391 12.541 -3.186 -4.328 1.00 52.43 H new ATOM 0 HB3 ARG B 391 13.627 -1.874 -3.915 1.00 52.43 H new ATOM 0 HG2 ARG B 391 12.864 -2.321 -1.450 1.00 31.15 H new ATOM 0 HG3 ARG B 391 12.283 -3.853 -2.071 1.00 31.15 H new ATOM 0 HD2 ARG B 391 15.133 -2.832 -2.403 1.00 61.12 H new ATOM 0 HD3 ARG B 391 14.622 -3.948 -1.153 1.00 61.12 H new ATOM 0 HE ARG B 391 13.777 -5.193 -3.473 1.00 32.01 H new ATOM 0 HH11 ARG B 391 16.834 -3.841 -2.338 1.00 51.13 H new ATOM 0 HH12 ARG B 391 17.816 -4.978 -3.268 1.00 51.13 H new ATOM 0 HH21 ARG B 391 15.044 -6.650 -4.666 1.00 75.43 H new ATOM 0 HH22 ARG B 391 16.807 -6.561 -4.581 1.00 75.43 H new ATOM 1371 N VAL B 392 9.722 -2.925 -4.134 1.00 33.31 N ATOM 1372 CA VAL B 392 8.501 -3.684 -3.890 1.00 52.42 C ATOM 1373 C VAL B 392 8.589 -5.079 -4.498 1.00 1.12 C ATOM 1374 O VAL B 392 9.144 -5.259 -5.581 1.00 70.03 O ATOM 1375 CB VAL B 392 7.268 -2.962 -4.467 1.00 34.34 C ATOM 1376 CG1 VAL B 392 7.178 -3.176 -5.970 1.00 34.32 C ATOM 1377 CG2 VAL B 392 6.000 -3.440 -3.774 1.00 14.40 C ATOM 0 H VAL B 392 10.100 -3.025 -5.076 1.00 33.31 H new ATOM 0 HA VAL B 392 8.392 -3.769 -2.809 1.00 52.42 H new ATOM 0 HB VAL B 392 7.375 -1.893 -4.283 1.00 34.34 H new ATOM 0 HG11 VAL B 392 6.301 -2.659 -6.359 1.00 34.32 H new ATOM 0 HG12 VAL B 392 8.074 -2.781 -6.448 1.00 34.32 H new ATOM 0 HG13 VAL B 392 7.094 -4.242 -6.181 1.00 34.32 H new ATOM 0 HG21 VAL B 392 5.138 -2.920 -4.193 1.00 14.40 H new ATOM 0 HG22 VAL B 392 5.885 -4.513 -3.925 1.00 14.40 H new ATOM 0 HG23 VAL B 392 6.067 -3.229 -2.707 1.00 14.40 H new ATOM 1387 N GLN B 393 8.038 -6.062 -3.794 1.00 4.03 N ATOM 1388 CA GLN B 393 8.056 -7.441 -4.264 1.00 71.44 C ATOM 1389 C GLN B 393 6.742 -8.144 -3.940 1.00 22.35 C ATOM 1390 O GLN B 393 6.438 -8.406 -2.775 1.00 2.42 O ATOM 1391 CB GLN B 393 9.224 -8.203 -3.636 1.00 43.31 C ATOM 1392 CG GLN B 393 9.237 -8.151 -2.117 1.00 22.12 C ATOM 1393 CD GLN B 393 10.641 -8.100 -1.546 1.00 54.21 C ATOM 1394 OE1 GLN B 393 11.342 -9.111 -1.500 1.00 21.24 O ATOM 1395 NE2 GLN B 393 11.059 -6.918 -1.108 1.00 31.45 N ATOM 0 H GLN B 393 7.574 -5.929 -2.896 1.00 4.03 H new ATOM 0 HA GLN B 393 8.182 -7.426 -5.347 1.00 71.44 H new ATOM 0 HB2 GLN B 393 9.181 -9.244 -3.955 1.00 43.31 H new ATOM 0 HB3 GLN B 393 10.160 -7.792 -4.013 1.00 43.31 H new ATOM 0 HG2 GLN B 393 8.681 -7.275 -1.783 1.00 22.12 H new ATOM 0 HG3 GLN B 393 8.720 -9.026 -1.723 1.00 22.12 H new ATOM 0 HE21 GLN B 393 10.444 -6.106 -1.166 1.00 31.45 H new ATOM 0 HE22 GLN B 393 11.995 -6.822 -0.714 1.00 31.45 H new ATOM 1404 N ARG B 394 5.967 -8.448 -4.975 1.00 73.44 N ATOM 1405 CA ARG B 394 4.685 -9.120 -4.799 1.00 3.34 C ATOM 1406 C ARG B 394 4.884 -10.608 -4.526 1.00 50.33 C ATOM 1407 O ARG B 394 5.925 -11.176 -4.856 1.00 70.54 O ATOM 1408 CB ARG B 394 3.810 -8.930 -6.039 1.00 64.13 C ATOM 1409 CG ARG B 394 4.525 -9.246 -7.343 1.00 63.41 C ATOM 1410 CD ARG B 394 4.562 -8.039 -8.266 1.00 43.45 C ATOM 1411 NE ARG B 394 3.536 -8.111 -9.302 1.00 60.04 N ATOM 1412 CZ ARG B 394 3.148 -7.067 -10.027 1.00 24.05 C ATOM 1413 NH1 ARG B 394 3.701 -5.877 -9.829 1.00 73.54 N ATOM 1414 NH2 ARG B 394 2.208 -7.211 -10.952 1.00 12.04 N ATOM 0 H ARG B 394 6.204 -8.240 -5.945 1.00 73.44 H new ATOM 0 HA ARG B 394 4.185 -8.674 -3.939 1.00 3.34 H new ATOM 0 HB2 ARG B 394 2.930 -9.567 -5.953 1.00 64.13 H new ATOM 0 HB3 ARG B 394 3.456 -7.900 -6.069 1.00 64.13 H new ATOM 0 HG2 ARG B 394 5.543 -9.574 -7.131 1.00 63.41 H new ATOM 0 HG3 ARG B 394 4.021 -10.073 -7.844 1.00 63.41 H new ATOM 0 HD2 ARG B 394 4.423 -7.130 -7.680 1.00 43.45 H new ATOM 0 HD3 ARG B 394 5.544 -7.970 -8.733 1.00 43.45 H new ATOM 0 HE ARG B 394 3.092 -9.012 -9.479 1.00 60.04 H new ATOM 0 HH11 ARG B 394 4.425 -5.763 -9.120 1.00 73.54 H new ATOM 0 HH12 ARG B 394 3.402 -5.077 -10.386 1.00 73.54 H new ATOM 0 HH21 ARG B 394 1.782 -8.124 -11.108 1.00 12.04 H new ATOM 0 HH22 ARG B 394 1.912 -6.408 -11.507 1.00 12.04 H new ATOM 1428 N SER B 395 3.878 -11.234 -3.923 1.00 43.52 N ATOM 1429 CA SER B 395 3.943 -12.654 -3.602 1.00 63.43 C ATOM 1430 C SER B 395 2.754 -13.402 -4.198 1.00 51.25 C ATOM 1431 O SER B 395 1.990 -12.844 -4.986 1.00 23.33 O ATOM 1432 CB SER B 395 3.979 -12.856 -2.087 1.00 32.33 C ATOM 1433 OG SER B 395 4.398 -14.169 -1.756 1.00 53.32 O ATOM 0 H SER B 395 3.008 -10.779 -3.647 1.00 43.52 H new ATOM 0 HA SER B 395 4.858 -13.057 -4.037 1.00 63.43 H new ATOM 0 HB2 SER B 395 4.656 -12.131 -1.637 1.00 32.33 H new ATOM 0 HB3 SER B 395 2.990 -12.671 -1.669 1.00 32.33 H new ATOM 0 HG SER B 395 4.414 -14.271 -0.781 1.00 53.32 H new ATOM 1439 N GLN B 396 2.606 -14.665 -3.816 1.00 32.53 N ATOM 1440 CA GLN B 396 1.509 -15.489 -4.312 1.00 65.43 C ATOM 1441 C GLN B 396 0.162 -14.930 -3.868 1.00 5.35 C ATOM 1442 O GLN B 396 -0.862 -15.173 -4.504 1.00 2.00 O ATOM 1443 CB GLN B 396 1.664 -16.930 -3.823 1.00 22.34 C ATOM 1444 CG GLN B 396 1.483 -17.085 -2.320 1.00 71.04 C ATOM 1445 CD GLN B 396 0.111 -17.609 -1.949 1.00 34.11 C ATOM 1446 OE1 GLN B 396 -0.420 -18.510 -2.600 1.00 51.40 O ATOM 1447 NE2 GLN B 396 -0.474 -17.047 -0.897 1.00 60.41 N ATOM 0 H GLN B 396 3.231 -15.141 -3.165 1.00 32.53 H new ATOM 0 HA GLN B 396 1.544 -15.477 -5.401 1.00 65.43 H new ATOM 0 HB2 GLN B 396 0.936 -17.559 -4.335 1.00 22.34 H new ATOM 0 HB3 GLN B 396 2.653 -17.295 -4.101 1.00 22.34 H new ATOM 0 HG2 GLN B 396 2.244 -17.764 -1.934 1.00 71.04 H new ATOM 0 HG3 GLN B 396 1.642 -16.121 -1.837 1.00 71.04 H new ATOM 0 HE21 GLN B 396 0.001 -16.303 -0.386 1.00 60.41 H new ATOM 0 HE22 GLN B 396 -1.399 -17.359 -0.600 1.00 60.41 H new ATOM 1456 N ASN B 397 0.173 -14.181 -2.770 1.00 14.14 N ATOM 1457 CA ASN B 397 -1.050 -13.588 -2.239 1.00 10.33 C ATOM 1458 C ASN B 397 -1.870 -12.944 -3.352 1.00 14.12 C ATOM 1459 O ASN B 397 -1.374 -12.670 -4.444 1.00 42.32 O ATOM 1460 CB ASN B 397 -0.713 -12.545 -1.170 1.00 43.34 C ATOM 1461 CG ASN B 397 -0.682 -13.137 0.226 1.00 74.03 C ATOM 1462 OD1 ASN B 397 -0.343 -14.305 0.409 1.00 31.00 O ATOM 1463 ND2 ASN B 397 -1.040 -12.330 1.218 1.00 72.05 N ATOM 0 H ASN B 397 1.013 -13.970 -2.231 1.00 14.14 H new ATOM 0 HA ASN B 397 -1.644 -14.383 -1.788 1.00 10.33 H new ATOM 0 HB2 ASN B 397 0.256 -12.099 -1.394 1.00 43.34 H new ATOM 0 HB3 ASN B 397 -1.449 -11.742 -1.205 1.00 43.34 H new ATOM 0 HD21 ASN B 397 -1.041 -12.672 2.179 1.00 72.05 H new ATOM 0 HD22 ASN B 397 -1.314 -11.368 1.019 1.00 72.05 H new ATOM 1470 N PRO B 398 -3.158 -12.695 -3.070 1.00 62.43 N ATOM 1471 CA PRO B 398 -4.075 -12.080 -4.034 1.00 71.02 C ATOM 1472 C PRO B 398 -3.747 -10.613 -4.291 1.00 45.02 C ATOM 1473 O PRO B 398 -4.189 -10.033 -5.283 1.00 51.22 O ATOM 1474 CB PRO B 398 -5.441 -12.211 -3.357 1.00 73.32 C ATOM 1475 CG PRO B 398 -5.138 -12.284 -1.901 1.00 31.13 C ATOM 1476 CD PRO B 398 -3.818 -12.995 -1.788 1.00 71.34 C ATOM 0 HA PRO B 398 -4.020 -12.559 -5.011 1.00 71.02 H new ATOM 0 HB2 PRO B 398 -6.079 -11.358 -3.586 1.00 73.32 H new ATOM 0 HB3 PRO B 398 -5.967 -13.103 -3.697 1.00 73.32 H new ATOM 0 HG2 PRO B 398 -5.083 -11.287 -1.463 1.00 31.13 H new ATOM 0 HG3 PRO B 398 -5.919 -12.824 -1.366 1.00 31.13 H new ATOM 0 HD2 PRO B 398 -3.236 -12.630 -0.942 1.00 71.34 H new ATOM 0 HD3 PRO B 398 -3.950 -14.068 -1.645 1.00 71.34 H new ATOM 1484 N LEU B 399 -2.969 -10.019 -3.393 1.00 32.40 N ATOM 1485 CA LEU B 399 -2.581 -8.619 -3.523 1.00 63.41 C ATOM 1486 C LEU B 399 -1.676 -8.196 -2.370 1.00 43.41 C ATOM 1487 O LEU B 399 -2.009 -7.290 -1.605 1.00 63.53 O ATOM 1488 CB LEU B 399 -3.823 -7.727 -3.566 1.00 51.21 C ATOM 1489 CG LEU B 399 -3.806 -6.604 -4.602 1.00 53.53 C ATOM 1490 CD1 LEU B 399 -2.655 -5.647 -4.334 1.00 12.31 C ATOM 1491 CD2 LEU B 399 -3.709 -7.176 -6.009 1.00 22.22 C ATOM 0 H LEU B 399 -2.594 -10.485 -2.567 1.00 32.40 H new ATOM 0 HA LEU B 399 -2.028 -8.505 -4.455 1.00 63.41 H new ATOM 0 HB2 LEU B 399 -4.692 -8.357 -3.757 1.00 51.21 H new ATOM 0 HB3 LEU B 399 -3.961 -7.283 -2.580 1.00 51.21 H new ATOM 0 HG LEU B 399 -4.740 -6.048 -4.521 1.00 53.53 H new ATOM 0 HD11 LEU B 399 -2.659 -4.854 -5.082 1.00 12.31 H new ATOM 0 HD12 LEU B 399 -2.768 -5.210 -3.342 1.00 12.31 H new ATOM 0 HD13 LEU B 399 -1.711 -6.190 -4.386 1.00 12.31 H new ATOM 0 HD21 LEU B 399 -3.698 -6.361 -6.733 1.00 22.22 H new ATOM 0 HD22 LEU B 399 -2.792 -7.757 -6.103 1.00 22.22 H new ATOM 0 HD23 LEU B 399 -4.568 -7.820 -6.200 1.00 22.22 H new ATOM 1503 N LYS B 400 -0.529 -8.856 -2.253 1.00 4.54 N ATOM 1504 CA LYS B 400 0.427 -8.545 -1.196 1.00 65.32 C ATOM 1505 C LYS B 400 1.698 -7.931 -1.775 1.00 1.40 C ATOM 1506 O LYS B 400 2.372 -8.542 -2.606 1.00 75.11 O ATOM 1507 CB LYS B 400 0.774 -9.811 -0.407 1.00 54.33 C ATOM 1508 CG LYS B 400 1.652 -9.550 0.804 1.00 51.13 C ATOM 1509 CD LYS B 400 2.649 -10.675 1.022 1.00 24.22 C ATOM 1510 CE LYS B 400 2.049 -11.799 1.854 1.00 13.24 C ATOM 1511 NZ LYS B 400 3.092 -12.557 2.598 1.00 42.22 N ATOM 0 H LYS B 400 -0.239 -9.609 -2.876 1.00 4.54 H new ATOM 0 HA LYS B 400 -0.033 -7.819 -0.525 1.00 65.32 H new ATOM 0 HB2 LYS B 400 -0.149 -10.290 -0.080 1.00 54.33 H new ATOM 0 HB3 LYS B 400 1.281 -10.514 -1.068 1.00 54.33 H new ATOM 0 HG2 LYS B 400 2.187 -8.609 0.671 1.00 51.13 H new ATOM 0 HG3 LYS B 400 1.027 -9.439 1.690 1.00 51.13 H new ATOM 0 HD2 LYS B 400 2.973 -11.067 0.058 1.00 24.22 H new ATOM 0 HD3 LYS B 400 3.536 -10.285 1.521 1.00 24.22 H new ATOM 0 HE2 LYS B 400 1.329 -11.384 2.560 1.00 13.24 H new ATOM 0 HE3 LYS B 400 1.501 -12.480 1.203 1.00 13.24 H new ATOM 0 HZ1 LYS B 400 2.642 -13.314 3.152 1.00 42.22 H new ATOM 0 HZ2 LYS B 400 3.765 -12.975 1.924 1.00 42.22 H new ATOM 0 HZ3 LYS B 400 3.599 -11.913 3.239 1.00 42.22 H new ATOM 1525 N ILE B 401 2.020 -6.721 -1.331 1.00 70.02 N ATOM 1526 CA ILE B 401 3.211 -6.027 -1.803 1.00 13.51 C ATOM 1527 C ILE B 401 4.139 -5.675 -0.645 1.00 34.33 C ATOM 1528 O ILE B 401 3.801 -4.853 0.206 1.00 11.33 O ATOM 1529 CB ILE B 401 2.846 -4.737 -2.563 1.00 63.11 C ATOM 1530 CG1 ILE B 401 1.608 -4.087 -1.944 1.00 54.10 C ATOM 1531 CG2 ILE B 401 2.613 -5.038 -4.036 1.00 34.43 C ATOM 1532 CD1 ILE B 401 1.623 -2.575 -2.006 1.00 72.42 C ATOM 0 H ILE B 401 1.473 -6.201 -0.645 1.00 70.02 H new ATOM 0 HA ILE B 401 3.724 -6.708 -2.482 1.00 13.51 H new ATOM 0 HB ILE B 401 3.678 -4.038 -2.482 1.00 63.11 H new ATOM 0 HG12 ILE B 401 0.720 -4.455 -2.458 1.00 54.10 H new ATOM 0 HG13 ILE B 401 1.526 -4.399 -0.903 1.00 54.10 H new ATOM 0 HG21 ILE B 401 2.356 -4.117 -4.559 1.00 34.43 H new ATOM 0 HG22 ILE B 401 3.520 -5.461 -4.469 1.00 34.43 H new ATOM 0 HG23 ILE B 401 1.796 -5.752 -4.137 1.00 34.43 H new ATOM 0 HD11 ILE B 401 0.714 -2.183 -1.549 1.00 72.42 H new ATOM 0 HD12 ILE B 401 2.492 -2.197 -1.468 1.00 72.42 H new ATOM 0 HD13 ILE B 401 1.673 -2.254 -3.046 1.00 72.42 H new ATOM 1544 N ARG B 402 5.310 -6.303 -0.621 1.00 11.32 N ATOM 1545 CA ARG B 402 6.286 -6.056 0.433 1.00 23.14 C ATOM 1546 C ARG B 402 7.198 -4.889 0.067 1.00 53.22 C ATOM 1547 O ARG B 402 8.041 -5.001 -0.824 1.00 50.45 O ATOM 1548 CB ARG B 402 7.124 -7.312 0.685 1.00 40.12 C ATOM 1549 CG ARG B 402 8.325 -7.072 1.586 1.00 13.21 C ATOM 1550 CD ARG B 402 8.368 -8.069 2.734 1.00 73.04 C ATOM 1551 NE ARG B 402 9.728 -8.519 3.018 1.00 73.24 N ATOM 1552 CZ ARG B 402 10.371 -9.419 2.284 1.00 64.02 C ATOM 1553 NH1 ARG B 402 9.784 -9.963 1.228 1.00 75.24 N ATOM 1554 NH2 ARG B 402 11.608 -9.778 2.606 1.00 40.32 N ATOM 0 H ARG B 402 5.606 -6.986 -1.319 1.00 11.32 H new ATOM 0 HA ARG B 402 5.744 -5.799 1.343 1.00 23.14 H new ATOM 0 HB2 ARG B 402 6.491 -8.077 1.134 1.00 40.12 H new ATOM 0 HB3 ARG B 402 7.470 -7.705 -0.271 1.00 40.12 H new ATOM 0 HG2 ARG B 402 9.241 -7.149 1.001 1.00 13.21 H new ATOM 0 HG3 ARG B 402 8.286 -6.058 1.984 1.00 13.21 H new ATOM 0 HD2 ARG B 402 7.944 -7.611 3.628 1.00 73.04 H new ATOM 0 HD3 ARG B 402 7.745 -8.930 2.490 1.00 73.04 H new ATOM 0 HE ARG B 402 10.210 -8.120 3.824 1.00 73.24 H new ATOM 0 HH11 ARG B 402 8.834 -9.691 0.976 1.00 75.24 H new ATOM 0 HH12 ARG B 402 10.282 -10.654 0.667 1.00 75.24 H new ATOM 0 HH21 ARG B 402 12.065 -9.362 3.418 1.00 40.32 H new ATOM 0 HH22 ARG B 402 12.102 -10.470 2.042 1.00 40.32 H new ATOM 1568 N LEU B 403 7.023 -3.768 0.759 1.00 72.42 N ATOM 1569 CA LEU B 403 7.829 -2.579 0.507 1.00 21.31 C ATOM 1570 C LEU B 403 8.994 -2.493 1.487 1.00 30.22 C ATOM 1571 O LEU B 403 8.840 -2.764 2.679 1.00 33.31 O ATOM 1572 CB LEU B 403 6.964 -1.322 0.613 1.00 2.42 C ATOM 1573 CG LEU B 403 6.100 -0.996 -0.605 1.00 42.45 C ATOM 1574 CD1 LEU B 403 6.931 -1.054 -1.879 1.00 54.22 C ATOM 1575 CD2 LEU B 403 4.919 -1.950 -0.693 1.00 24.55 C ATOM 0 H LEU B 403 6.330 -3.658 1.499 1.00 72.42 H new ATOM 0 HA LEU B 403 8.233 -2.651 -0.503 1.00 21.31 H new ATOM 0 HB2 LEU B 403 6.311 -1.427 1.479 1.00 2.42 H new ATOM 0 HB3 LEU B 403 7.617 -0.471 0.808 1.00 2.42 H new ATOM 0 HG LEU B 403 5.714 0.017 -0.492 1.00 42.45 H new ATOM 0 HD11 LEU B 403 6.300 -0.819 -2.736 1.00 54.22 H new ATOM 0 HD12 LEU B 403 7.743 -0.329 -1.817 1.00 54.22 H new ATOM 0 HD13 LEU B 403 7.346 -2.055 -1.997 1.00 54.22 H new ATOM 0 HD21 LEU B 403 4.315 -1.702 -1.566 1.00 24.55 H new ATOM 0 HD22 LEU B 403 5.284 -2.973 -0.782 1.00 24.55 H new ATOM 0 HD23 LEU B 403 4.310 -1.859 0.206 1.00 24.55 H new ATOM 1587 N THR B 404 10.162 -2.112 0.979 1.00 3.21 N ATOM 1588 CA THR B 404 11.354 -1.989 1.809 1.00 14.30 C ATOM 1589 C THR B 404 12.271 -0.885 1.295 1.00 72.24 C ATOM 1590 O THR B 404 12.403 -0.689 0.087 1.00 52.54 O ATOM 1591 CB THR B 404 12.141 -3.312 1.861 1.00 65.32 C ATOM 1592 OG1 THR B 404 12.780 -3.551 0.601 1.00 31.33 O ATOM 1593 CG2 THR B 404 11.222 -4.476 2.198 1.00 52.21 C ATOM 0 H THR B 404 10.308 -1.883 -0.004 1.00 3.21 H new ATOM 0 HA THR B 404 11.015 -1.737 2.814 1.00 14.30 H new ATOM 0 HB THR B 404 12.897 -3.229 2.642 1.00 65.32 H new ATOM 0 HG1 THR B 404 13.280 -4.393 0.642 1.00 31.33 H new ATOM 0 HG21 THR B 404 11.801 -5.399 2.229 1.00 52.21 H new ATOM 0 HG22 THR B 404 10.760 -4.305 3.170 1.00 52.21 H new ATOM 0 HG23 THR B 404 10.446 -4.559 1.437 1.00 52.21 H new ATOM 1601 N ARG B 405 12.902 -0.168 2.218 1.00 72.01 N ATOM 1602 CA ARG B 405 13.806 0.917 1.857 1.00 3.11 C ATOM 1603 C ARG B 405 14.776 0.475 0.766 1.00 21.01 C ATOM 1604 O ARG B 405 15.840 -0.074 1.053 1.00 60.11 O ATOM 1605 CB ARG B 405 14.584 1.391 3.086 1.00 22.40 C ATOM 1606 CG ARG B 405 13.908 2.526 3.836 1.00 44.43 C ATOM 1607 CD ARG B 405 14.749 2.996 5.012 1.00 10.52 C ATOM 1608 NE ARG B 405 16.150 3.183 4.645 1.00 52.44 N ATOM 1609 CZ ARG B 405 16.580 4.174 3.871 1.00 62.22 C ATOM 1610 NH1 ARG B 405 15.723 5.062 3.387 1.00 43.44 N ATOM 1611 NH2 ARG B 405 17.870 4.278 3.581 1.00 44.14 N ATOM 0 H ARG B 405 12.804 -0.319 3.222 1.00 72.01 H new ATOM 0 HA ARG B 405 13.208 1.744 1.474 1.00 3.11 H new ATOM 0 HB2 ARG B 405 14.721 0.549 3.765 1.00 22.40 H new ATOM 0 HB3 ARG B 405 15.577 1.714 2.774 1.00 22.40 H new ATOM 0 HG2 ARG B 405 13.734 3.360 3.156 1.00 44.43 H new ATOM 0 HG3 ARG B 405 12.932 2.197 4.194 1.00 44.43 H new ATOM 0 HD2 ARG B 405 14.346 3.934 5.393 1.00 10.52 H new ATOM 0 HD3 ARG B 405 14.680 2.268 5.820 1.00 10.52 H new ATOM 0 HE ARG B 405 16.835 2.517 5.002 1.00 52.44 H new ATOM 0 HH11 ARG B 405 14.730 4.986 3.608 1.00 43.44 H new ATOM 0 HH12 ARG B 405 16.056 5.821 2.793 1.00 43.44 H new ATOM 0 HH21 ARG B 405 18.533 3.597 3.952 1.00 44.14 H new ATOM 0 HH22 ARG B 405 18.199 5.039 2.987 1.00 44.14 H new TER 1625 ARG B 405