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 Single : A 601 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 606 LYS NZ :NH3+ -163:sc= -0.0173 (180deg=-0.206) USER MOD Single : A 607 CYS SG : rot -96:sc= 0.885 USER MOD Single : A 608 LYS NZ :NH3+ 148:sc= -0.108 (180deg=-0.672) USER MOD Single : A 610 MET CE :methyl -169:sc= -2.45 (180deg=-2.79) 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+ -155:sc= -0.446 (180deg=-1.26) USER MOD Single : A 617 GLN : amide:sc= -1.78 K(o=-1.8,f=-6.6!) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 623 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.46) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 161:sc= -0.0155 (180deg=-0.538) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 638 GLN : amide:sc= -0.926 K(o=-0.93,f=-0.23) USER MOD Single : A 639 SER OG : rot 180:sc= 0 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= -0.0463 X(o=-0.046,f=-0.14) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.34) USER MOD Single : A 658 THR OG1 : rot -45:sc= 0.481 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot -63:sc= 0.0852 USER MOD Single : A 663 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 109:sc= 1.71 USER MOD Single : A 673 SER OG : rot -66:sc= 1.2 USER MOD Single : A 674 CYS SG : rot 140:sc= -0.593 USER MOD Single : A 677 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 389 THR OG1 : rot -10:sc= 0.797 USER MOD Single : B 393 GLN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0.0194 USER MOD Single : B 396 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.5!) USER MOD Single : B 397 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.5!) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot 120:sc= -1.87 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -8.630 13.128 14.319 1.00 60.21 N ATOM 2 CA GLU A 600 -9.972 12.698 13.943 1.00 75.15 C ATOM 3 C GLU A 600 -10.031 12.333 12.462 1.00 34.30 C ATOM 4 O GLU A 600 -10.365 13.165 11.620 1.00 42.14 O ATOM 5 CB GLU A 600 -10.988 13.800 14.248 1.00 11.23 C ATOM 6 CG GLU A 600 -12.412 13.290 14.401 1.00 64.01 C ATOM 7 CD GLU A 600 -13.181 14.022 15.484 1.00 31.33 C ATOM 8 OE1 GLU A 600 -13.773 15.078 15.179 1.00 31.14 O ATOM 9 OE2 GLU A 600 -13.189 13.538 16.635 1.00 15.54 O ATOM 0 HA GLU A 600 -10.220 11.813 14.528 1.00 75.15 H new ATOM 0 HB2 GLU A 600 -10.693 14.311 15.165 1.00 11.23 H new ATOM 0 HB3 GLU A 600 -10.960 14.540 13.448 1.00 11.23 H new ATOM 0 HG2 GLU A 600 -12.937 13.398 13.452 1.00 64.01 H new ATOM 0 HG3 GLU A 600 -12.390 12.225 14.633 1.00 64.01 H new ATOM 16 N SER A 601 -9.705 11.082 12.154 1.00 31.20 N ATOM 17 CA SER A 601 -9.717 10.606 10.776 1.00 11.00 C ATOM 18 C SER A 601 -11.056 10.906 10.109 1.00 55.14 C ATOM 19 O SER A 601 -12.108 10.485 10.588 1.00 21.55 O ATOM 20 CB SER A 601 -9.438 9.102 10.730 1.00 62.21 C ATOM 21 OG SER A 601 -9.717 8.494 11.979 1.00 32.31 O ATOM 0 H SER A 601 -9.429 10.380 12.840 1.00 31.20 H new ATOM 0 HA SER A 601 -8.933 11.131 10.230 1.00 11.00 H new ATOM 0 HB2 SER A 601 -10.046 8.640 9.953 1.00 62.21 H new ATOM 0 HB3 SER A 601 -8.395 8.930 10.463 1.00 62.21 H new ATOM 0 HG SER A 601 -9.533 7.533 11.924 1.00 32.31 H new ATOM 27 N GLU A 602 -11.007 11.637 9.000 1.00 42.30 N ATOM 28 CA GLU A 602 -12.216 11.995 8.268 1.00 42.02 C ATOM 29 C GLU A 602 -12.830 10.768 7.598 1.00 3.32 C ATOM 30 O GLU A 602 -14.050 10.644 7.508 1.00 61.32 O ATOM 31 CB GLU A 602 -11.905 13.062 7.215 1.00 20.13 C ATOM 32 CG GLU A 602 -12.736 14.325 7.365 1.00 34.33 C ATOM 33 CD GLU A 602 -12.952 15.040 6.046 1.00 11.01 C ATOM 34 OE1 GLU A 602 -13.210 14.355 5.034 1.00 34.22 O ATOM 35 OE2 GLU A 602 -12.864 16.286 6.024 1.00 1.03 O ATOM 0 H GLU A 602 -10.144 11.993 8.589 1.00 42.30 H new ATOM 0 HA GLU A 602 -12.936 12.397 8.981 1.00 42.02 H new ATOM 0 HB2 GLU A 602 -10.848 13.323 7.275 1.00 20.13 H new ATOM 0 HB3 GLU A 602 -12.073 12.642 6.223 1.00 20.13 H new ATOM 0 HG2 GLU A 602 -13.703 14.070 7.799 1.00 34.33 H new ATOM 0 HG3 GLU A 602 -12.242 15.000 8.063 1.00 34.33 H new ATOM 42 N GLU A 603 -11.973 9.866 7.129 1.00 4.24 N ATOM 43 CA GLU A 603 -12.430 8.650 6.467 1.00 15.10 C ATOM 44 C GLU A 603 -12.518 7.492 7.456 1.00 11.43 C ATOM 45 O GLU A 603 -11.994 6.407 7.205 1.00 10.32 O ATOM 46 CB GLU A 603 -11.488 8.283 5.319 1.00 55.42 C ATOM 47 CG GLU A 603 -12.137 7.415 4.254 1.00 42.35 C ATOM 48 CD GLU A 603 -13.123 8.184 3.394 1.00 25.34 C ATOM 49 OE1 GLU A 603 -14.248 8.441 3.871 1.00 73.34 O ATOM 50 OE2 GLU A 603 -12.769 8.527 2.248 1.00 44.54 O ATOM 0 H GLU A 603 -10.959 9.955 7.195 1.00 4.24 H new ATOM 0 HA GLU A 603 -13.425 8.839 6.065 1.00 15.10 H new ATOM 0 HB2 GLU A 603 -11.120 9.198 4.855 1.00 55.42 H new ATOM 0 HB3 GLU A 603 -10.622 7.760 5.724 1.00 55.42 H new ATOM 0 HG2 GLU A 603 -11.362 6.987 3.618 1.00 42.35 H new ATOM 0 HG3 GLU A 603 -12.651 6.582 4.733 1.00 42.35 H new ATOM 57 N GLU A 604 -13.185 7.731 8.582 1.00 44.34 N ATOM 58 CA GLU A 604 -13.339 6.709 9.609 1.00 15.23 C ATOM 59 C GLU A 604 -14.800 6.286 9.739 1.00 62.11 C ATOM 60 O GLU A 604 -15.098 5.123 10.014 1.00 71.11 O ATOM 61 CB GLU A 604 -12.824 7.225 10.955 1.00 35.52 C ATOM 62 CG GLU A 604 -13.715 8.284 11.582 1.00 2.32 C ATOM 63 CD GLU A 604 -14.773 7.693 12.494 1.00 61.14 C ATOM 64 OE1 GLU A 604 -14.444 6.768 13.264 1.00 4.15 O ATOM 65 OE2 GLU A 604 -15.932 8.157 12.434 1.00 24.31 O ATOM 0 H GLU A 604 -13.627 8.623 8.805 1.00 44.34 H new ATOM 0 HA GLU A 604 -12.751 5.840 9.313 1.00 15.23 H new ATOM 0 HB2 GLU A 604 -12.731 6.386 11.645 1.00 35.52 H new ATOM 0 HB3 GLU A 604 -11.825 7.638 10.818 1.00 35.52 H new ATOM 0 HG2 GLU A 604 -13.099 8.981 12.150 1.00 2.32 H new ATOM 0 HG3 GLU A 604 -14.201 8.858 10.793 1.00 2.32 H new ATOM 72 N ASP A 605 -15.705 7.237 9.541 1.00 71.11 N ATOM 73 CA ASP A 605 -17.135 6.964 9.636 1.00 64.24 C ATOM 74 C ASP A 605 -17.685 6.481 8.297 1.00 60.21 C ATOM 75 O ASP A 605 -18.580 5.637 8.249 1.00 35.23 O ATOM 76 CB ASP A 605 -17.887 8.217 10.087 1.00 3.01 C ATOM 77 CG ASP A 605 -18.811 7.947 11.258 1.00 3.22 C ATOM 78 OD1 ASP A 605 -19.409 6.852 11.301 1.00 71.12 O ATOM 79 OD2 ASP A 605 -18.936 8.831 12.132 1.00 31.31 O ATOM 0 H ASP A 605 -15.475 8.204 9.314 1.00 71.11 H new ATOM 0 HA ASP A 605 -17.281 6.176 10.375 1.00 64.24 H new ATOM 0 HB2 ASP A 605 -17.169 8.988 10.365 1.00 3.01 H new ATOM 0 HB3 ASP A 605 -18.468 8.609 9.252 1.00 3.01 H new ATOM 84 N LYS A 606 -17.144 7.021 7.211 1.00 63.32 N ATOM 85 CA LYS A 606 -17.579 6.646 5.871 1.00 62.52 C ATOM 86 C LYS A 606 -16.608 5.652 5.241 1.00 22.44 C ATOM 87 O LYS A 606 -16.594 5.469 4.024 1.00 51.21 O ATOM 88 CB LYS A 606 -17.699 7.887 4.985 1.00 55.24 C ATOM 89 CG LYS A 606 -19.023 7.982 4.245 1.00 14.34 C ATOM 90 CD LYS A 606 -20.195 8.068 5.210 1.00 63.44 C ATOM 91 CE LYS A 606 -21.428 8.651 4.537 1.00 40.32 C ATOM 92 NZ LYS A 606 -21.278 10.108 4.271 1.00 41.41 N ATOM 0 H LYS A 606 -16.402 7.721 7.232 1.00 63.32 H new ATOM 0 HA LYS A 606 -18.556 6.170 5.954 1.00 62.52 H new ATOM 0 HB2 LYS A 606 -17.573 8.777 5.602 1.00 55.24 H new ATOM 0 HB3 LYS A 606 -16.886 7.884 4.259 1.00 55.24 H new ATOM 0 HG2 LYS A 606 -19.018 8.859 3.598 1.00 14.34 H new ATOM 0 HG3 LYS A 606 -19.144 7.112 3.600 1.00 14.34 H new ATOM 0 HD2 LYS A 606 -20.425 7.074 5.595 1.00 63.44 H new ATOM 0 HD3 LYS A 606 -19.919 8.685 6.065 1.00 63.44 H new ATOM 0 HE2 LYS A 606 -21.611 8.128 3.599 1.00 40.32 H new ATOM 0 HE3 LYS A 606 -22.300 8.485 5.170 1.00 40.32 H new ATOM 0 HZ1 LYS A 606 -22.213 10.525 4.086 1.00 41.41 H new ATOM 0 HZ2 LYS A 606 -20.850 10.570 5.099 1.00 41.41 H new ATOM 0 HZ3 LYS A 606 -20.666 10.248 3.442 1.00 41.41 H new ATOM 106 N CYS A 607 -15.800 5.011 6.078 1.00 20.20 N ATOM 107 CA CYS A 607 -14.826 4.035 5.604 1.00 70.42 C ATOM 108 C CYS A 607 -15.492 2.990 4.713 1.00 52.30 C ATOM 109 O CYS A 607 -16.242 2.138 5.191 1.00 43.21 O ATOM 110 CB CYS A 607 -14.140 3.350 6.787 1.00 23.02 C ATOM 111 SG CYS A 607 -15.282 2.735 8.047 1.00 61.12 S ATOM 0 H CYS A 607 -15.800 5.150 7.089 1.00 20.20 H new ATOM 0 HA CYS A 607 -14.076 4.564 5.016 1.00 70.42 H new ATOM 0 HB2 CYS A 607 -13.544 2.517 6.415 1.00 23.02 H new ATOM 0 HB3 CYS A 607 -13.449 4.055 7.251 1.00 23.02 H new ATOM 0 HG CYS A 607 -15.386 3.610 9.003 1.00 61.12 H new ATOM 117 N LYS A 608 -15.215 3.064 3.416 1.00 54.20 N ATOM 118 CA LYS A 608 -15.788 2.127 2.456 1.00 22.44 C ATOM 119 C LYS A 608 -14.881 0.914 2.275 1.00 52.34 C ATOM 120 O LYS A 608 -13.670 0.977 2.485 1.00 21.32 O ATOM 121 CB LYS A 608 -16.012 2.817 1.109 1.00 33.43 C ATOM 122 CG LYS A 608 -17.411 3.387 0.943 1.00 22.33 C ATOM 123 CD LYS A 608 -17.464 4.854 1.331 1.00 3.35 C ATOM 124 CE LYS A 608 -17.774 5.737 0.132 1.00 43.35 C ATOM 125 NZ LYS A 608 -19.063 5.364 -0.513 1.00 54.35 N ATOM 0 H LYS A 608 -14.597 3.763 3.005 1.00 54.20 H new ATOM 0 HA LYS A 608 -16.748 1.787 2.845 1.00 22.44 H new ATOM 0 HB2 LYS A 608 -15.285 3.622 0.997 1.00 33.43 H new ATOM 0 HB3 LYS A 608 -15.822 2.102 0.308 1.00 33.43 H new ATOM 0 HG2 LYS A 608 -17.731 3.272 -0.092 1.00 22.33 H new ATOM 0 HG3 LYS A 608 -18.111 2.821 1.558 1.00 22.33 H new ATOM 0 HD2 LYS A 608 -18.224 5.001 2.099 1.00 3.35 H new ATOM 0 HD3 LYS A 608 -16.510 5.151 1.766 1.00 3.35 H new ATOM 0 HE2 LYS A 608 -17.815 6.779 0.449 1.00 43.35 H new ATOM 0 HE3 LYS A 608 -16.967 5.657 -0.596 1.00 43.35 H new ATOM 0 HZ1 LYS A 608 -19.509 6.213 -0.915 1.00 54.35 H new ATOM 0 HZ2 LYS A 608 -18.885 4.674 -1.271 1.00 54.35 H new ATOM 0 HZ3 LYS A 608 -19.697 4.943 0.196 1.00 54.35 H new ATOM 139 N PRO A 609 -15.479 -0.218 1.870 1.00 11.55 N ATOM 140 CA PRO A 609 -14.743 -1.466 1.649 1.00 44.31 C ATOM 141 C PRO A 609 -13.834 -1.393 0.426 1.00 33.33 C ATOM 142 O PRO A 609 -14.027 -0.553 -0.452 1.00 44.22 O ATOM 143 CB PRO A 609 -15.852 -2.498 1.431 1.00 50.24 C ATOM 144 CG PRO A 609 -17.011 -1.707 0.929 1.00 31.11 C ATOM 145 CD PRO A 609 -16.919 -0.365 1.599 1.00 5.24 C ATOM 0 HA PRO A 609 -14.081 -1.702 2.482 1.00 44.31 H new ATOM 0 HB2 PRO A 609 -15.550 -3.258 0.711 1.00 50.24 H new ATOM 0 HB3 PRO A 609 -16.098 -3.017 2.358 1.00 50.24 H new ATOM 0 HG2 PRO A 609 -16.973 -1.605 -0.156 1.00 31.11 H new ATOM 0 HG3 PRO A 609 -17.953 -2.200 1.170 1.00 31.11 H new ATOM 0 HD2 PRO A 609 -17.290 0.432 0.955 1.00 5.24 H new ATOM 0 HD3 PRO A 609 -17.506 -0.333 2.517 1.00 5.24 H new ATOM 153 N MET A 610 -12.845 -2.280 0.376 1.00 55.43 N ATOM 154 CA MET A 610 -11.909 -2.317 -0.741 1.00 51.12 C ATOM 155 C MET A 610 -11.548 -3.754 -1.101 1.00 70.32 C ATOM 156 O MET A 610 -11.162 -4.542 -0.237 1.00 70.43 O ATOM 157 CB MET A 610 -10.641 -1.532 -0.397 1.00 40.01 C ATOM 158 CG MET A 610 -10.918 -0.168 0.215 1.00 55.35 C ATOM 159 SD MET A 610 -11.448 1.047 -1.008 1.00 54.14 S ATOM 160 CE MET A 610 -9.908 1.906 -1.323 1.00 15.04 C ATOM 0 H MET A 610 -12.672 -2.982 1.096 1.00 55.43 H new ATOM 0 HA MET A 610 -12.392 -1.856 -1.602 1.00 51.12 H new ATOM 0 HB2 MET A 610 -10.038 -2.117 0.298 1.00 40.01 H new ATOM 0 HB3 MET A 610 -10.048 -1.401 -1.302 1.00 40.01 H new ATOM 0 HG2 MET A 610 -11.688 -0.267 0.980 1.00 55.35 H new ATOM 0 HG3 MET A 610 -10.018 0.192 0.713 1.00 55.35 H new ATOM 0 HE1 MET A 610 -10.106 2.806 -1.905 1.00 15.04 H new ATOM 0 HE2 MET A 610 -9.445 2.181 -0.376 1.00 15.04 H new ATOM 0 HE3 MET A 610 -9.235 1.254 -1.880 1.00 15.04 H new ATOM 170 N SER A 611 -11.678 -4.090 -2.380 1.00 50.32 N ATOM 171 CA SER A 611 -11.371 -5.434 -2.854 1.00 25.33 C ATOM 172 C SER A 611 -10.029 -5.461 -3.580 1.00 11.34 C ATOM 173 O SER A 611 -9.374 -4.430 -3.735 1.00 51.33 O ATOM 174 CB SER A 611 -12.476 -5.937 -3.783 1.00 40.44 C ATOM 175 OG SER A 611 -12.904 -7.236 -3.412 1.00 52.33 O ATOM 0 H SER A 611 -11.994 -3.449 -3.108 1.00 50.32 H new ATOM 0 HA SER A 611 -11.309 -6.092 -1.987 1.00 25.33 H new ATOM 0 HB2 SER A 611 -13.322 -5.250 -3.752 1.00 40.44 H new ATOM 0 HB3 SER A 611 -12.113 -5.950 -4.811 1.00 40.44 H new ATOM 0 HG SER A 611 -13.612 -7.533 -4.021 1.00 52.33 H new ATOM 181 N TYR A 612 -9.626 -6.646 -4.022 1.00 25.53 N ATOM 182 CA TYR A 612 -8.361 -6.809 -4.729 1.00 73.31 C ATOM 183 C TYR A 612 -8.243 -5.806 -5.872 1.00 53.22 C ATOM 184 O TYR A 612 -7.157 -5.309 -6.165 1.00 12.32 O ATOM 185 CB TYR A 612 -8.236 -8.234 -5.272 1.00 35.41 C ATOM 186 CG TYR A 612 -9.390 -8.648 -6.158 1.00 11.43 C ATOM 187 CD1 TYR A 612 -9.353 -8.427 -7.529 1.00 40.51 C ATOM 188 CD2 TYR A 612 -10.516 -9.261 -5.624 1.00 33.53 C ATOM 189 CE1 TYR A 612 -10.405 -8.802 -8.341 1.00 71.12 C ATOM 190 CE2 TYR A 612 -11.573 -9.642 -6.429 1.00 23.03 C ATOM 191 CZ TYR A 612 -11.512 -9.410 -7.787 1.00 14.40 C ATOM 192 OH TYR A 612 -12.562 -9.786 -8.593 1.00 21.21 O ATOM 0 H TYR A 612 -10.157 -7.509 -3.903 1.00 25.53 H new ATOM 0 HA TYR A 612 -7.552 -6.624 -4.022 1.00 73.31 H new ATOM 0 HB2 TYR A 612 -7.307 -8.319 -5.836 1.00 35.41 H new ATOM 0 HB3 TYR A 612 -8.165 -8.928 -4.435 1.00 35.41 H new ATOM 0 HD1 TYR A 612 -8.487 -7.954 -7.967 1.00 40.51 H new ATOM 0 HD2 TYR A 612 -10.567 -9.443 -4.561 1.00 33.53 H new ATOM 0 HE1 TYR A 612 -10.361 -8.620 -9.405 1.00 71.12 H new ATOM 0 HE2 TYR A 612 -12.441 -10.118 -5.997 1.00 23.03 H new ATOM 0 HH TYR A 612 -13.262 -10.201 -8.046 1.00 21.21 H new ATOM 202 N GLU A 613 -9.371 -5.513 -6.512 1.00 42.32 N ATOM 203 CA GLU A 613 -9.394 -4.568 -7.623 1.00 53.11 C ATOM 204 C GLU A 613 -8.778 -3.233 -7.215 1.00 33.21 C ATOM 205 O GLU A 613 -8.155 -2.552 -8.028 1.00 4.10 O ATOM 206 CB GLU A 613 -10.830 -4.353 -8.109 1.00 23.31 C ATOM 207 CG GLU A 613 -10.964 -3.243 -9.136 1.00 40.42 C ATOM 208 CD GLU A 613 -11.807 -3.650 -10.329 1.00 32.23 C ATOM 209 OE1 GLU A 613 -11.287 -4.373 -11.204 1.00 73.32 O ATOM 210 OE2 GLU A 613 -12.988 -3.246 -10.386 1.00 64.03 O ATOM 0 H GLU A 613 -10.279 -5.916 -6.281 1.00 42.32 H new ATOM 0 HA GLU A 613 -8.802 -4.988 -8.436 1.00 53.11 H new ATOM 0 HB2 GLU A 613 -11.202 -5.282 -8.540 1.00 23.31 H new ATOM 0 HB3 GLU A 613 -11.464 -4.123 -7.253 1.00 23.31 H new ATOM 0 HG2 GLU A 613 -11.409 -2.368 -8.663 1.00 40.42 H new ATOM 0 HG3 GLU A 613 -9.972 -2.950 -9.480 1.00 40.42 H new ATOM 217 N GLU A 614 -8.960 -2.866 -5.950 1.00 73.24 N ATOM 218 CA GLU A 614 -8.424 -1.612 -5.434 1.00 53.32 C ATOM 219 C GLU A 614 -6.901 -1.667 -5.345 1.00 54.34 C ATOM 220 O GLU A 614 -6.201 -0.897 -6.002 1.00 2.32 O ATOM 221 CB GLU A 614 -9.015 -1.306 -4.057 1.00 14.11 C ATOM 222 CG GLU A 614 -10.416 -0.718 -4.113 1.00 50.55 C ATOM 223 CD GLU A 614 -11.358 -1.535 -4.976 1.00 42.42 C ATOM 224 OE1 GLU A 614 -11.279 -1.417 -6.216 1.00 41.42 O ATOM 225 OE2 GLU A 614 -12.174 -2.292 -4.410 1.00 42.02 O ATOM 0 H GLU A 614 -9.474 -3.419 -5.264 1.00 73.24 H new ATOM 0 HA GLU A 614 -8.702 -0.817 -6.125 1.00 53.32 H new ATOM 0 HB2 GLU A 614 -9.038 -2.223 -3.469 1.00 14.11 H new ATOM 0 HB3 GLU A 614 -8.358 -0.610 -3.536 1.00 14.11 H new ATOM 0 HG2 GLU A 614 -10.819 -0.653 -3.102 1.00 50.55 H new ATOM 0 HG3 GLU A 614 -10.364 0.299 -4.501 1.00 50.55 H new ATOM 232 N LYS A 615 -6.395 -2.584 -4.527 1.00 53.34 N ATOM 233 CA LYS A 615 -4.957 -2.742 -4.350 1.00 74.21 C ATOM 234 C LYS A 615 -4.287 -3.131 -5.664 1.00 42.40 C ATOM 235 O LYS A 615 -3.120 -2.813 -5.895 1.00 0.10 O ATOM 236 CB LYS A 615 -4.666 -3.801 -3.285 1.00 54.13 C ATOM 237 CG LYS A 615 -4.780 -3.280 -1.862 1.00 71.55 C ATOM 238 CD LYS A 615 -3.789 -2.160 -1.598 1.00 63.31 C ATOM 239 CE LYS A 615 -2.361 -2.603 -1.878 1.00 24.12 C ATOM 240 NZ LYS A 615 -1.373 -1.542 -1.533 1.00 72.43 N ATOM 0 H LYS A 615 -6.961 -3.229 -3.976 1.00 53.34 H new ATOM 0 HA LYS A 615 -4.550 -1.785 -4.023 1.00 74.21 H new ATOM 0 HB2 LYS A 615 -5.357 -4.634 -3.415 1.00 54.13 H new ATOM 0 HB3 LYS A 615 -3.661 -4.194 -3.440 1.00 54.13 H new ATOM 0 HG2 LYS A 615 -5.793 -2.920 -1.686 1.00 71.55 H new ATOM 0 HG3 LYS A 615 -4.605 -4.095 -1.160 1.00 71.55 H new ATOM 0 HD2 LYS A 615 -4.034 -1.301 -2.223 1.00 63.31 H new ATOM 0 HD3 LYS A 615 -3.874 -1.834 -0.561 1.00 63.31 H new ATOM 0 HE2 LYS A 615 -2.141 -3.504 -1.305 1.00 24.12 H new ATOM 0 HE3 LYS A 615 -2.261 -2.863 -2.932 1.00 24.12 H new ATOM 0 HZ1 LYS A 615 -0.509 -1.676 -2.096 1.00 72.43 H new ATOM 0 HZ2 LYS A 615 -1.780 -0.608 -1.741 1.00 72.43 H new ATOM 0 HZ3 LYS A 615 -1.139 -1.601 -0.521 1.00 72.43 H new ATOM 254 N ARG A 616 -5.033 -3.818 -6.523 1.00 44.02 N ATOM 255 CA ARG A 616 -4.511 -4.248 -7.815 1.00 23.24 C ATOM 256 C ARG A 616 -3.951 -3.064 -8.598 1.00 33.22 C ATOM 257 O ARG A 616 -2.764 -3.027 -8.918 1.00 4.40 O ATOM 258 CB ARG A 616 -5.607 -4.939 -8.628 1.00 32.24 C ATOM 259 CG ARG A 616 -5.364 -4.909 -10.128 1.00 0.11 C ATOM 260 CD ARG A 616 -4.018 -5.520 -10.486 1.00 62.41 C ATOM 261 NE ARG A 616 -4.138 -6.530 -11.534 1.00 23.11 N ATOM 262 CZ ARG A 616 -3.101 -7.012 -12.211 1.00 31.24 C ATOM 263 NH1 ARG A 616 -1.875 -6.580 -11.950 1.00 55.25 N ATOM 264 NH2 ARG A 616 -3.291 -7.930 -13.151 1.00 24.44 N ATOM 0 H ARG A 616 -6.001 -4.089 -6.348 1.00 44.02 H new ATOM 0 HA ARG A 616 -3.702 -4.956 -7.634 1.00 23.24 H new ATOM 0 HB2 ARG A 616 -5.690 -5.976 -8.303 1.00 32.24 H new ATOM 0 HB3 ARG A 616 -6.563 -4.461 -8.414 1.00 32.24 H new ATOM 0 HG2 ARG A 616 -6.159 -5.453 -10.638 1.00 0.11 H new ATOM 0 HG3 ARG A 616 -5.404 -3.879 -10.484 1.00 0.11 H new ATOM 0 HD2 ARG A 616 -3.339 -4.734 -10.816 1.00 62.41 H new ATOM 0 HD3 ARG A 616 -3.576 -5.970 -9.597 1.00 62.41 H new ATOM 0 HE ARG A 616 -5.068 -6.885 -11.758 1.00 23.11 H new ATOM 0 HH11 ARG A 616 -1.725 -5.876 -11.228 1.00 55.25 H new ATOM 0 HH12 ARG A 616 -1.081 -6.952 -12.472 1.00 55.25 H new ATOM 0 HH21 ARG A 616 -4.233 -8.265 -13.354 1.00 24.44 H new ATOM 0 HH22 ARG A 616 -2.495 -8.300 -13.671 1.00 24.44 H new ATOM 278 N GLN A 617 -4.815 -2.101 -8.902 1.00 22.15 N ATOM 279 CA GLN A 617 -4.407 -0.917 -9.648 1.00 22.22 C ATOM 280 C GLN A 617 -3.570 0.014 -8.777 1.00 74.21 C ATOM 281 O GLN A 617 -2.655 0.680 -9.262 1.00 51.00 O ATOM 282 CB GLN A 617 -5.634 -0.174 -10.178 1.00 55.11 C ATOM 283 CG GLN A 617 -5.320 1.213 -10.716 1.00 4.12 C ATOM 284 CD GLN A 617 -4.361 1.179 -11.890 1.00 2.15 C ATOM 285 OE1 GLN A 617 -3.943 0.110 -12.335 1.00 60.13 O ATOM 286 NE2 GLN A 617 -4.007 2.354 -12.399 1.00 0.44 N ATOM 0 H GLN A 617 -5.801 -2.118 -8.643 1.00 22.15 H new ATOM 0 HA GLN A 617 -3.797 -1.242 -10.491 1.00 22.22 H new ATOM 0 HB2 GLN A 617 -6.093 -0.766 -10.969 1.00 55.11 H new ATOM 0 HB3 GLN A 617 -6.369 -0.086 -9.378 1.00 55.11 H new ATOM 0 HG2 GLN A 617 -6.247 1.698 -11.022 1.00 4.12 H new ATOM 0 HG3 GLN A 617 -4.891 1.820 -9.918 1.00 4.12 H new ATOM 0 HE21 GLN A 617 -4.378 3.216 -11.999 1.00 0.44 H new ATOM 0 HE22 GLN A 617 -3.364 2.394 -13.190 1.00 0.44 H new ATOM 295 N LEU A 618 -3.890 0.056 -7.488 1.00 4.05 N ATOM 296 CA LEU A 618 -3.169 0.906 -6.548 1.00 23.22 C ATOM 297 C LEU A 618 -1.697 0.511 -6.475 1.00 71.40 C ATOM 298 O LEU A 618 -0.819 1.367 -6.372 1.00 25.43 O ATOM 299 CB LEU A 618 -3.802 0.816 -5.158 1.00 64.34 C ATOM 300 CG LEU A 618 -4.911 1.824 -4.859 1.00 74.02 C ATOM 301 CD1 LEU A 618 -5.691 2.150 -6.123 1.00 13.01 C ATOM 302 CD2 LEU A 618 -5.841 1.289 -3.779 1.00 40.24 C ATOM 0 H LEU A 618 -4.644 -0.489 -7.070 1.00 4.05 H new ATOM 0 HA LEU A 618 -3.234 1.934 -6.904 1.00 23.22 H new ATOM 0 HB2 LEU A 618 -4.207 -0.188 -5.029 1.00 64.34 H new ATOM 0 HB3 LEU A 618 -3.015 0.940 -4.414 1.00 64.34 H new ATOM 0 HG LEU A 618 -4.452 2.742 -4.493 1.00 74.02 H new ATOM 0 HD11 LEU A 618 -6.476 2.869 -5.891 1.00 13.01 H new ATOM 0 HD12 LEU A 618 -5.017 2.576 -6.867 1.00 13.01 H new ATOM 0 HD13 LEU A 618 -6.139 1.239 -6.519 1.00 13.01 H new ATOM 0 HD21 LEU A 618 -6.625 2.020 -3.579 1.00 40.24 H new ATOM 0 HD22 LEU A 618 -6.292 0.356 -4.117 1.00 40.24 H new ATOM 0 HD23 LEU A 618 -5.273 1.107 -2.867 1.00 40.24 H new ATOM 314 N SER A 619 -1.436 -0.791 -6.533 1.00 5.01 N ATOM 315 CA SER A 619 -0.070 -1.300 -6.473 1.00 33.21 C ATOM 316 C SER A 619 0.723 -0.875 -7.705 1.00 61.44 C ATOM 317 O SER A 619 1.865 -0.428 -7.598 1.00 44.54 O ATOM 318 CB SER A 619 -0.077 -2.826 -6.357 1.00 52.22 C ATOM 319 OG SER A 619 0.973 -3.399 -7.118 1.00 14.23 O ATOM 0 H SER A 619 -2.152 -1.512 -6.621 1.00 5.01 H new ATOM 0 HA SER A 619 0.411 -0.878 -5.590 1.00 33.21 H new ATOM 0 HB2 SER A 619 0.028 -3.115 -5.311 1.00 52.22 H new ATOM 0 HB3 SER A 619 -1.035 -3.216 -6.701 1.00 52.22 H new ATOM 0 HG SER A 619 0.949 -4.374 -7.027 1.00 14.23 H new ATOM 325 N LEU A 620 0.110 -1.021 -8.874 1.00 12.13 N ATOM 326 CA LEU A 620 0.757 -0.653 -10.129 1.00 11.32 C ATOM 327 C LEU A 620 1.129 0.827 -10.136 1.00 75.15 C ATOM 328 O LEU A 620 2.285 1.185 -10.355 1.00 43.23 O ATOM 329 CB LEU A 620 -0.162 -0.965 -11.311 1.00 73.41 C ATOM 330 CG LEU A 620 0.252 -0.373 -12.658 1.00 61.11 C ATOM 331 CD1 LEU A 620 0.499 -1.478 -13.674 1.00 32.15 C ATOM 332 CD2 LEU A 620 -0.810 0.592 -13.165 1.00 1.11 C ATOM 0 H LEU A 620 -0.834 -1.392 -8.980 1.00 12.13 H new ATOM 0 HA LEU A 620 1.671 -1.239 -10.223 1.00 11.32 H new ATOM 0 HB2 LEU A 620 -0.228 -2.048 -11.418 1.00 73.41 H new ATOM 0 HB3 LEU A 620 -1.163 -0.606 -11.072 1.00 73.41 H new ATOM 0 HG LEU A 620 1.181 0.180 -12.520 1.00 61.11 H new ATOM 0 HD11 LEU A 620 0.793 -1.037 -14.627 1.00 32.15 H new ATOM 0 HD12 LEU A 620 1.295 -2.131 -13.315 1.00 32.15 H new ATOM 0 HD13 LEU A 620 -0.413 -2.059 -13.809 1.00 32.15 H new ATOM 0 HD21 LEU A 620 -0.499 1.004 -14.125 1.00 1.11 H new ATOM 0 HD22 LEU A 620 -1.755 0.062 -13.287 1.00 1.11 H new ATOM 0 HD23 LEU A 620 -0.938 1.402 -12.447 1.00 1.11 H new ATOM 344 N ASP A 621 0.140 1.681 -9.894 1.00 72.21 N ATOM 345 CA ASP A 621 0.364 3.122 -9.869 1.00 55.00 C ATOM 346 C ASP A 621 1.521 3.476 -8.941 1.00 44.23 C ATOM 347 O ASP A 621 2.466 4.156 -9.344 1.00 62.54 O ATOM 348 CB ASP A 621 -0.905 3.849 -9.422 1.00 71.33 C ATOM 349 CG ASP A 621 -2.029 3.726 -10.432 1.00 53.42 C ATOM 350 OD1 ASP A 621 -1.737 3.709 -11.646 1.00 61.14 O ATOM 351 OD2 ASP A 621 -3.201 3.647 -10.009 1.00 43.02 O ATOM 0 H ASP A 621 -0.824 1.401 -9.713 1.00 72.21 H new ATOM 0 HA ASP A 621 0.621 3.442 -10.879 1.00 55.00 H new ATOM 0 HB2 ASP A 621 -1.234 3.444 -8.465 1.00 71.33 H new ATOM 0 HB3 ASP A 621 -0.679 4.903 -9.261 1.00 71.33 H new ATOM 356 N ILE A 622 1.440 3.013 -7.698 1.00 40.24 N ATOM 357 CA ILE A 622 2.481 3.282 -6.714 1.00 45.02 C ATOM 358 C ILE A 622 3.816 2.686 -7.149 1.00 51.30 C ATOM 359 O ILE A 622 4.872 3.279 -6.933 1.00 23.23 O ATOM 360 CB ILE A 622 2.107 2.718 -5.331 1.00 40.11 C ATOM 361 CG1 ILE A 622 0.823 3.373 -4.820 1.00 14.33 C ATOM 362 CG2 ILE A 622 3.246 2.932 -4.346 1.00 62.43 C ATOM 363 CD1 ILE A 622 0.135 2.584 -3.727 1.00 52.35 C ATOM 0 H ILE A 622 0.664 2.450 -7.349 1.00 40.24 H new ATOM 0 HA ILE A 622 2.575 4.366 -6.643 1.00 45.02 H new ATOM 0 HB ILE A 622 1.933 1.646 -5.427 1.00 40.11 H new ATOM 0 HG12 ILE A 622 1.057 4.369 -4.445 1.00 14.33 H new ATOM 0 HG13 ILE A 622 0.133 3.500 -5.654 1.00 14.33 H new ATOM 0 HG21 ILE A 622 2.966 2.528 -3.373 1.00 62.43 H new ATOM 0 HG22 ILE A 622 4.140 2.423 -4.707 1.00 62.43 H new ATOM 0 HG23 ILE A 622 3.449 3.999 -4.251 1.00 62.43 H new ATOM 0 HD11 ILE A 622 -0.768 3.108 -3.413 1.00 52.35 H new ATOM 0 HD12 ILE A 622 -0.131 1.596 -4.104 1.00 52.35 H new ATOM 0 HD13 ILE A 622 0.808 2.479 -2.876 1.00 52.35 H new ATOM 375 N ASN A 623 3.760 1.510 -7.766 1.00 10.11 N ATOM 376 CA ASN A 623 4.965 0.835 -8.234 1.00 64.53 C ATOM 377 C ASN A 623 5.651 1.642 -9.332 1.00 52.25 C ATOM 378 O ASN A 623 6.876 1.759 -9.360 1.00 13.23 O ATOM 379 CB ASN A 623 4.622 -0.564 -8.752 1.00 22.22 C ATOM 380 CG ASN A 623 5.692 -1.117 -9.674 1.00 73.32 C ATOM 381 OD1 ASN A 623 5.391 -1.643 -10.746 1.00 22.41 O ATOM 382 ND2 ASN A 623 6.948 -1.001 -9.259 1.00 73.14 N ATOM 0 H ASN A 623 2.894 1.005 -7.953 1.00 10.11 H new ATOM 0 HA ASN A 623 5.651 0.746 -7.392 1.00 64.53 H new ATOM 0 HB2 ASN A 623 4.490 -1.239 -7.907 1.00 22.22 H new ATOM 0 HB3 ASN A 623 3.671 -0.529 -9.283 1.00 22.22 H new ATOM 0 HD21 ASN A 623 7.711 -1.355 -9.836 1.00 73.14 H new ATOM 0 HD22 ASN A 623 7.150 -0.558 -8.363 1.00 73.14 H new ATOM 389 N LYS A 624 4.851 2.198 -10.236 1.00 63.12 N ATOM 390 CA LYS A 624 5.379 2.997 -11.336 1.00 74.43 C ATOM 391 C LYS A 624 5.830 4.368 -10.845 1.00 65.12 C ATOM 392 O LYS A 624 6.734 4.977 -11.419 1.00 31.10 O ATOM 393 CB LYS A 624 4.320 3.157 -12.430 1.00 43.31 C ATOM 394 CG LYS A 624 4.201 1.950 -13.344 1.00 0.23 C ATOM 395 CD LYS A 624 4.347 2.341 -14.805 1.00 54.13 C ATOM 396 CE LYS A 624 5.803 2.318 -15.246 1.00 35.00 C ATOM 397 NZ LYS A 624 6.264 3.656 -15.710 1.00 33.52 N ATOM 0 H LYS A 624 3.835 2.110 -10.229 1.00 63.12 H new ATOM 0 HA LYS A 624 6.243 2.477 -11.749 1.00 74.43 H new ATOM 0 HB2 LYS A 624 3.353 3.345 -11.963 1.00 43.31 H new ATOM 0 HB3 LYS A 624 4.560 4.034 -13.030 1.00 43.31 H new ATOM 0 HG2 LYS A 624 4.966 1.219 -13.084 1.00 0.23 H new ATOM 0 HG3 LYS A 624 3.235 1.469 -13.190 1.00 0.23 H new ATOM 0 HD2 LYS A 624 3.767 1.658 -15.425 1.00 54.13 H new ATOM 0 HD3 LYS A 624 3.935 3.338 -14.959 1.00 54.13 H new ATOM 0 HE2 LYS A 624 6.428 1.986 -14.417 1.00 35.00 H new ATOM 0 HE3 LYS A 624 5.927 1.592 -16.050 1.00 35.00 H new ATOM 0 HZ1 LYS A 624 7.261 3.598 -16.002 1.00 33.52 H new ATOM 0 HZ2 LYS A 624 5.684 3.962 -16.517 1.00 33.52 H new ATOM 0 HZ3 LYS A 624 6.170 4.344 -14.935 1.00 33.52 H new ATOM 411 N LEU A 625 5.198 4.848 -9.780 1.00 52.24 N ATOM 412 CA LEU A 625 5.536 6.148 -9.211 1.00 32.41 C ATOM 413 C LEU A 625 6.938 6.130 -8.611 1.00 43.22 C ATOM 414 O LEU A 625 7.497 5.077 -8.305 1.00 60.50 O ATOM 415 CB LEU A 625 4.516 6.539 -8.140 1.00 73.23 C ATOM 416 CG LEU A 625 3.204 7.136 -8.650 1.00 71.23 C ATOM 417 CD1 LEU A 625 2.253 7.402 -7.494 1.00 12.32 C ATOM 418 CD2 LEU A 625 3.468 8.416 -9.431 1.00 32.33 C ATOM 0 H LEU A 625 4.449 4.357 -9.293 1.00 52.24 H new ATOM 0 HA LEU A 625 5.512 6.886 -10.013 1.00 32.41 H new ATOM 0 HB2 LEU A 625 4.283 5.654 -7.548 1.00 73.23 H new ATOM 0 HB3 LEU A 625 4.983 7.259 -7.468 1.00 73.23 H new ATOM 0 HG LEU A 625 2.736 6.415 -9.320 1.00 71.23 H new ATOM 0 HD11 LEU A 625 1.325 7.827 -7.877 1.00 12.32 H new ATOM 0 HD12 LEU A 625 2.038 6.467 -6.977 1.00 12.32 H new ATOM 0 HD13 LEU A 625 2.713 8.104 -6.798 1.00 12.32 H new ATOM 0 HD21 LEU A 625 2.523 8.827 -9.786 1.00 32.33 H new ATOM 0 HD22 LEU A 625 3.959 9.143 -8.784 1.00 32.33 H new ATOM 0 HD23 LEU A 625 4.111 8.196 -10.283 1.00 32.33 H new ATOM 430 N PRO A 626 7.522 7.326 -8.436 1.00 54.25 N ATOM 431 CA PRO A 626 8.865 7.475 -7.869 1.00 3.41 C ATOM 432 C PRO A 626 8.910 7.127 -6.385 1.00 15.21 C ATOM 433 O PRO A 626 7.874 7.045 -5.724 1.00 43.43 O ATOM 434 CB PRO A 626 9.176 8.959 -8.079 1.00 12.34 C ATOM 435 CG PRO A 626 7.842 9.620 -8.140 1.00 53.24 C ATOM 436 CD PRO A 626 6.915 8.623 -8.779 1.00 21.25 C ATOM 0 HA PRO A 626 9.583 6.804 -8.340 1.00 3.41 H new ATOM 0 HB2 PRO A 626 9.778 9.357 -7.262 1.00 12.34 H new ATOM 0 HB3 PRO A 626 9.740 9.119 -8.998 1.00 12.34 H new ATOM 0 HG2 PRO A 626 7.495 9.892 -7.143 1.00 53.24 H new ATOM 0 HG3 PRO A 626 7.888 10.540 -8.723 1.00 53.24 H new ATOM 0 HD2 PRO A 626 5.901 8.708 -8.388 1.00 21.25 H new ATOM 0 HD3 PRO A 626 6.853 8.765 -9.858 1.00 21.25 H new ATOM 444 N GLY A 627 10.116 6.922 -5.865 1.00 62.01 N ATOM 445 CA GLY A 627 10.273 6.585 -4.463 1.00 32.20 C ATOM 446 C GLY A 627 9.529 7.539 -3.551 1.00 13.15 C ATOM 447 O GLY A 627 8.937 7.122 -2.555 1.00 44.23 O ATOM 0 H GLY A 627 10.988 6.983 -6.391 1.00 62.01 H new ATOM 0 HA2 GLY A 627 9.913 5.570 -4.294 1.00 32.20 H new ATOM 0 HA3 GLY A 627 11.332 6.594 -4.207 1.00 32.20 H new ATOM 451 N GLU A 628 9.559 8.824 -3.890 1.00 34.03 N ATOM 452 CA GLU A 628 8.883 9.841 -3.091 1.00 12.02 C ATOM 453 C GLU A 628 7.441 9.434 -2.799 1.00 63.23 C ATOM 454 O GLU A 628 6.931 9.658 -1.701 1.00 21.11 O ATOM 455 CB GLU A 628 8.908 11.188 -3.815 1.00 53.31 C ATOM 456 CG GLU A 628 8.135 12.281 -3.093 1.00 61.15 C ATOM 457 CD GLU A 628 8.614 13.672 -3.459 1.00 13.13 C ATOM 458 OE1 GLU A 628 9.439 13.791 -4.388 1.00 54.42 O ATOM 459 OE2 GLU A 628 8.162 14.642 -2.814 1.00 74.13 O ATOM 0 H GLU A 628 10.043 9.186 -4.711 1.00 34.03 H new ATOM 0 HA GLU A 628 9.414 9.936 -2.144 1.00 12.02 H new ATOM 0 HB2 GLU A 628 9.943 11.507 -3.937 1.00 53.31 H new ATOM 0 HB3 GLU A 628 8.494 11.061 -4.815 1.00 53.31 H new ATOM 0 HG2 GLU A 628 7.076 12.191 -3.333 1.00 61.15 H new ATOM 0 HG3 GLU A 628 8.232 12.139 -2.017 1.00 61.15 H new ATOM 466 N LYS A 629 6.791 8.833 -3.789 1.00 54.43 N ATOM 467 CA LYS A 629 5.408 8.394 -3.640 1.00 64.44 C ATOM 468 C LYS A 629 5.321 7.172 -2.733 1.00 34.53 C ATOM 469 O LYS A 629 4.473 7.106 -1.842 1.00 14.02 O ATOM 470 CB LYS A 629 4.804 8.070 -5.009 1.00 2.14 C ATOM 471 CG LYS A 629 4.651 9.284 -5.909 1.00 13.03 C ATOM 472 CD LYS A 629 3.790 10.354 -5.260 1.00 12.42 C ATOM 473 CE LYS A 629 2.414 9.817 -4.895 1.00 11.42 C ATOM 474 NZ LYS A 629 2.228 9.726 -3.420 1.00 32.31 N ATOM 0 H LYS A 629 7.199 8.638 -4.703 1.00 54.43 H new ATOM 0 HA LYS A 629 4.842 9.206 -3.183 1.00 64.44 H new ATOM 0 HB2 LYS A 629 5.433 7.334 -5.509 1.00 2.14 H new ATOM 0 HB3 LYS A 629 3.827 7.609 -4.866 1.00 2.14 H new ATOM 0 HG2 LYS A 629 5.634 9.696 -6.137 1.00 13.03 H new ATOM 0 HG3 LYS A 629 4.205 8.982 -6.856 1.00 13.03 H new ATOM 0 HD2 LYS A 629 4.286 10.727 -4.364 1.00 12.42 H new ATOM 0 HD3 LYS A 629 3.683 11.199 -5.940 1.00 12.42 H new ATOM 0 HE2 LYS A 629 1.647 10.465 -5.319 1.00 11.42 H new ATOM 0 HE3 LYS A 629 2.279 8.831 -5.340 1.00 11.42 H new ATOM 0 HZ1 LYS A 629 1.213 9.673 -3.201 1.00 32.31 H new ATOM 0 HZ2 LYS A 629 2.705 8.874 -3.062 1.00 32.31 H new ATOM 0 HZ3 LYS A 629 2.636 10.568 -2.966 1.00 32.31 H new ATOM 488 N LEU A 630 6.203 6.205 -2.963 1.00 33.23 N ATOM 489 CA LEU A 630 6.227 4.984 -2.164 1.00 4.43 C ATOM 490 C LEU A 630 6.440 5.304 -0.688 1.00 15.21 C ATOM 491 O LEU A 630 5.644 4.911 0.164 1.00 33.41 O ATOM 492 CB LEU A 630 7.330 4.049 -2.660 1.00 45.31 C ATOM 493 CG LEU A 630 6.889 2.639 -3.054 1.00 24.41 C ATOM 494 CD1 LEU A 630 7.146 2.392 -4.532 1.00 12.34 C ATOM 495 CD2 LEU A 630 7.606 1.599 -2.205 1.00 72.42 C ATOM 0 H LEU A 630 6.911 6.243 -3.696 1.00 33.23 H new ATOM 0 HA LEU A 630 5.263 4.488 -2.273 1.00 4.43 H new ATOM 0 HB2 LEU A 630 7.810 4.512 -3.522 1.00 45.31 H new ATOM 0 HB3 LEU A 630 8.087 3.967 -1.880 1.00 45.31 H new ATOM 0 HG LEU A 630 5.818 2.551 -2.873 1.00 24.41 H new ATOM 0 HD11 LEU A 630 6.826 1.383 -4.793 1.00 12.34 H new ATOM 0 HD12 LEU A 630 6.586 3.116 -5.125 1.00 12.34 H new ATOM 0 HD13 LEU A 630 8.211 2.500 -4.739 1.00 12.34 H new ATOM 0 HD21 LEU A 630 7.280 0.601 -2.499 1.00 72.42 H new ATOM 0 HD22 LEU A 630 8.682 1.687 -2.353 1.00 72.42 H new ATOM 0 HD23 LEU A 630 7.370 1.762 -1.153 1.00 72.42 H new ATOM 507 N GLY A 631 7.519 6.021 -0.392 1.00 43.32 N ATOM 508 CA GLY A 631 7.816 6.384 0.981 1.00 71.53 C ATOM 509 C GLY A 631 6.603 6.919 1.715 1.00 70.43 C ATOM 510 O GLY A 631 6.386 6.600 2.884 1.00 1.14 O ATOM 0 H GLY A 631 8.194 6.357 -1.079 1.00 43.32 H new ATOM 0 HA2 GLY A 631 8.201 5.511 1.509 1.00 71.53 H new ATOM 0 HA3 GLY A 631 8.605 7.136 0.992 1.00 71.53 H new ATOM 514 N ARG A 632 5.809 7.734 1.029 1.00 65.14 N ATOM 515 CA ARG A 632 4.613 8.317 1.624 1.00 31.12 C ATOM 516 C ARG A 632 3.487 7.289 1.698 1.00 2.02 C ATOM 517 O ARG A 632 2.821 7.155 2.725 1.00 1.11 O ATOM 518 CB ARG A 632 4.155 9.532 0.815 1.00 33.05 C ATOM 519 CG ARG A 632 4.817 10.832 1.243 1.00 63.04 C ATOM 520 CD ARG A 632 4.747 11.881 0.144 1.00 32.41 C ATOM 521 NE ARG A 632 4.750 13.239 0.682 1.00 22.42 N ATOM 522 CZ ARG A 632 4.313 14.296 0.009 1.00 42.41 C ATOM 523 NH1 ARG A 632 3.839 14.154 -1.221 1.00 44.15 N ATOM 524 NH2 ARG A 632 4.348 15.500 0.566 1.00 62.43 N ATOM 0 H ARG A 632 5.973 8.006 0.060 1.00 65.14 H new ATOM 0 HA ARG A 632 4.860 8.635 2.637 1.00 31.12 H new ATOM 0 HB2 ARG A 632 4.366 9.356 -0.240 1.00 33.05 H new ATOM 0 HB3 ARG A 632 3.074 9.636 0.911 1.00 33.05 H new ATOM 0 HG2 ARG A 632 4.330 11.211 2.141 1.00 63.04 H new ATOM 0 HG3 ARG A 632 5.859 10.643 1.501 1.00 63.04 H new ATOM 0 HD2 ARG A 632 5.594 11.756 -0.530 1.00 32.41 H new ATOM 0 HD3 ARG A 632 3.844 11.727 -0.447 1.00 32.41 H new ATOM 0 HE ARG A 632 5.107 13.383 1.626 1.00 22.42 H new ATOM 0 HH11 ARG A 632 3.809 13.230 -1.653 1.00 44.15 H new ATOM 0 HH12 ARG A 632 3.504 14.968 -1.736 1.00 44.15 H new ATOM 0 HH21 ARG A 632 4.711 15.614 1.512 1.00 62.43 H new ATOM 0 HH22 ARG A 632 4.012 16.312 0.048 1.00 62.43 H new ATOM 538 N VAL A 633 3.280 6.565 0.603 1.00 65.41 N ATOM 539 CA VAL A 633 2.237 5.548 0.543 1.00 2.42 C ATOM 540 C VAL A 633 2.518 4.415 1.523 1.00 60.20 C ATOM 541 O VAL A 633 1.754 4.187 2.462 1.00 45.33 O ATOM 542 CB VAL A 633 2.101 4.965 -0.876 1.00 23.14 C ATOM 543 CG1 VAL A 633 1.045 3.872 -0.904 1.00 71.13 C ATOM 544 CG2 VAL A 633 1.770 6.064 -1.874 1.00 12.12 C ATOM 0 H VAL A 633 3.822 6.664 -0.256 1.00 65.41 H new ATOM 0 HA VAL A 633 1.302 6.037 0.816 1.00 2.42 H new ATOM 0 HB VAL A 633 3.055 4.523 -1.162 1.00 23.14 H new ATOM 0 HG11 VAL A 633 0.962 3.472 -1.914 1.00 71.13 H new ATOM 0 HG12 VAL A 633 1.330 3.073 -0.219 1.00 71.13 H new ATOM 0 HG13 VAL A 633 0.084 4.286 -0.598 1.00 71.13 H new ATOM 0 HG21 VAL A 633 1.678 5.634 -2.871 1.00 12.12 H new ATOM 0 HG22 VAL A 633 0.829 6.538 -1.595 1.00 12.12 H new ATOM 0 HG23 VAL A 633 2.566 6.809 -1.872 1.00 12.12 H new ATOM 554 N VAL A 634 3.619 3.704 1.298 1.00 53.43 N ATOM 555 CA VAL A 634 4.002 2.594 2.161 1.00 62.11 C ATOM 556 C VAL A 634 3.983 3.007 3.629 1.00 20.30 C ATOM 557 O VAL A 634 3.736 2.186 4.512 1.00 35.13 O ATOM 558 CB VAL A 634 5.405 2.066 1.807 1.00 74.43 C ATOM 559 CG1 VAL A 634 5.500 1.759 0.319 1.00 24.23 C ATOM 560 CG2 VAL A 634 6.472 3.068 2.221 1.00 20.23 C ATOM 0 H VAL A 634 4.261 3.878 0.525 1.00 53.43 H new ATOM 0 HA VAL A 634 3.272 1.801 2.000 1.00 62.11 H new ATOM 0 HB VAL A 634 5.575 1.141 2.357 1.00 74.43 H new ATOM 0 HG11 VAL A 634 6.498 1.387 0.087 1.00 24.23 H new ATOM 0 HG12 VAL A 634 4.761 1.003 0.056 1.00 24.23 H new ATOM 0 HG13 VAL A 634 5.309 2.667 -0.253 1.00 24.23 H new ATOM 0 HG21 VAL A 634 7.457 2.678 1.963 1.00 20.23 H new ATOM 0 HG22 VAL A 634 6.307 4.011 1.700 1.00 20.23 H new ATOM 0 HG23 VAL A 634 6.418 3.234 3.297 1.00 20.23 H new ATOM 570 N HIS A 635 4.244 4.285 3.882 1.00 43.35 N ATOM 571 CA HIS A 635 4.256 4.808 5.243 1.00 52.31 C ATOM 572 C HIS A 635 2.866 4.731 5.867 1.00 33.30 C ATOM 573 O HIS A 635 2.725 4.493 7.066 1.00 2.33 O ATOM 574 CB HIS A 635 4.752 6.254 5.253 1.00 53.13 C ATOM 575 CG HIS A 635 4.513 6.961 6.551 1.00 55.25 C ATOM 576 ND1 HIS A 635 3.464 7.834 6.750 1.00 34.14 N ATOM 577 CD2 HIS A 635 5.193 6.920 7.720 1.00 0.02 C ATOM 578 CE1 HIS A 635 3.510 8.300 7.985 1.00 30.55 C ATOM 579 NE2 HIS A 635 4.550 7.761 8.596 1.00 65.44 N ATOM 0 H HIS A 635 4.450 4.978 3.162 1.00 43.35 H new ATOM 0 HA HIS A 635 4.936 4.195 5.835 1.00 52.31 H new ATOM 0 HB2 HIS A 635 5.820 6.264 5.034 1.00 53.13 H new ATOM 0 HB3 HIS A 635 4.257 6.804 4.453 1.00 53.13 H new ATOM 0 HD2 HIS A 635 6.077 6.335 7.926 1.00 0.02 H new ATOM 0 HE1 HIS A 635 2.815 9.002 8.421 1.00 30.55 H new ATOM 0 HE2 HIS A 635 4.830 7.940 9.560 1.00 65.44 H new ATOM 587 N ILE A 636 1.842 4.935 5.044 1.00 20.50 N ATOM 588 CA ILE A 636 0.463 4.888 5.515 1.00 31.41 C ATOM 589 C ILE A 636 0.080 3.478 5.952 1.00 73.30 C ATOM 590 O ILE A 636 -0.511 3.286 7.015 1.00 34.51 O ATOM 591 CB ILE A 636 -0.520 5.362 4.429 1.00 72.42 C ATOM 592 CG1 ILE A 636 0.054 6.568 3.684 1.00 55.33 C ATOM 593 CG2 ILE A 636 -1.867 5.704 5.046 1.00 71.32 C ATOM 594 CD1 ILE A 636 -0.982 7.338 2.892 1.00 24.21 C ATOM 0 H ILE A 636 1.941 5.134 4.049 1.00 20.50 H new ATOM 0 HA ILE A 636 0.398 5.561 6.370 1.00 31.41 H new ATOM 0 HB ILE A 636 -0.667 4.553 3.713 1.00 72.42 H new ATOM 0 HG12 ILE A 636 0.523 7.240 4.403 1.00 55.33 H new ATOM 0 HG13 ILE A 636 0.838 6.228 3.007 1.00 55.33 H new ATOM 0 HG21 ILE A 636 -2.551 6.037 4.265 1.00 71.32 H new ATOM 0 HG22 ILE A 636 -2.278 4.821 5.535 1.00 71.32 H new ATOM 0 HG23 ILE A 636 -1.739 6.499 5.780 1.00 71.32 H new ATOM 0 HD11 ILE A 636 -0.505 8.179 2.390 1.00 24.21 H new ATOM 0 HD12 ILE A 636 -1.434 6.681 2.149 1.00 24.21 H new ATOM 0 HD13 ILE A 636 -1.754 7.709 3.566 1.00 24.21 H new ATOM 606 N ILE A 637 0.421 2.494 5.126 1.00 51.31 N ATOM 607 CA ILE A 637 0.115 1.102 5.429 1.00 75.13 C ATOM 608 C ILE A 637 0.580 0.729 6.832 1.00 62.33 C ATOM 609 O ILE A 637 -0.226 0.366 7.687 1.00 11.13 O ATOM 610 CB ILE A 637 0.768 0.148 4.411 1.00 4.04 C ATOM 611 CG1 ILE A 637 0.002 0.174 3.088 1.00 34.12 C ATOM 612 CG2 ILE A 637 0.823 -1.266 4.971 1.00 75.40 C ATOM 613 CD1 ILE A 637 0.569 1.148 2.080 1.00 63.22 C ATOM 0 H ILE A 637 0.909 2.636 4.242 1.00 51.31 H new ATOM 0 HA ILE A 637 -0.968 0.997 5.370 1.00 75.13 H new ATOM 0 HB ILE A 637 1.788 0.484 4.223 1.00 4.04 H new ATOM 0 HG12 ILE A 637 0.006 -0.827 2.656 1.00 34.12 H new ATOM 0 HG13 ILE A 637 -1.038 0.432 3.285 1.00 34.12 H new ATOM 0 HG21 ILE A 637 1.287 -1.929 4.241 1.00 75.40 H new ATOM 0 HG22 ILE A 637 1.410 -1.271 5.890 1.00 75.40 H new ATOM 0 HG23 ILE A 637 -0.188 -1.612 5.184 1.00 75.40 H new ATOM 0 HD11 ILE A 637 -0.024 1.113 1.166 1.00 63.22 H new ATOM 0 HD12 ILE A 637 0.540 2.157 2.493 1.00 63.22 H new ATOM 0 HD13 ILE A 637 1.600 0.878 1.853 1.00 63.22 H new ATOM 625 N GLN A 638 1.887 0.822 7.059 1.00 1.43 N ATOM 626 CA GLN A 638 2.460 0.496 8.360 1.00 22.31 C ATOM 627 C GLN A 638 1.734 1.238 9.477 1.00 5.23 C ATOM 628 O GLN A 638 1.659 0.758 10.608 1.00 15.42 O ATOM 629 CB GLN A 638 3.950 0.840 8.386 1.00 42.54 C ATOM 630 CG GLN A 638 4.265 2.219 7.828 1.00 0.43 C ATOM 631 CD GLN A 638 5.748 2.534 7.852 1.00 51.22 C ATOM 632 OE1 GLN A 638 6.298 2.910 8.887 1.00 21.32 O ATOM 633 NE2 GLN A 638 6.403 2.381 6.707 1.00 22.02 N ATOM 0 H GLN A 638 2.568 1.120 6.360 1.00 1.43 H new ATOM 0 HA GLN A 638 2.339 -0.575 8.523 1.00 22.31 H new ATOM 0 HB2 GLN A 638 4.310 0.782 9.413 1.00 42.54 H new ATOM 0 HB3 GLN A 638 4.497 0.091 7.813 1.00 42.54 H new ATOM 0 HG2 GLN A 638 3.900 2.284 6.803 1.00 0.43 H new ATOM 0 HG3 GLN A 638 3.728 2.972 8.405 1.00 0.43 H new ATOM 0 HE21 GLN A 638 5.906 2.067 5.873 1.00 22.02 H new ATOM 0 HE22 GLN A 638 7.403 2.578 6.661 1.00 22.02 H new ATOM 642 N SER A 639 1.204 2.413 9.152 1.00 33.21 N ATOM 643 CA SER A 639 0.488 3.225 10.129 1.00 21.34 C ATOM 644 C SER A 639 -0.777 2.516 10.601 1.00 53.33 C ATOM 645 O SER A 639 -1.190 2.660 11.752 1.00 12.14 O ATOM 646 CB SER A 639 0.131 4.586 9.529 1.00 1.25 C ATOM 647 OG SER A 639 0.047 5.581 10.536 1.00 73.24 O ATOM 0 H SER A 639 1.257 2.824 8.220 1.00 33.21 H new ATOM 0 HA SER A 639 1.141 3.376 10.989 1.00 21.34 H new ATOM 0 HB2 SER A 639 0.883 4.871 8.793 1.00 1.25 H new ATOM 0 HB3 SER A 639 -0.820 4.516 9.002 1.00 1.25 H new ATOM 0 HG SER A 639 -0.181 6.442 10.127 1.00 73.24 H new ATOM 653 N ARG A 640 -1.390 1.752 9.703 1.00 22.21 N ATOM 654 CA ARG A 640 -2.610 1.022 10.026 1.00 72.04 C ATOM 655 C ARG A 640 -2.410 -0.480 9.840 1.00 52.44 C ATOM 656 O ARG A 640 -3.375 -1.233 9.714 1.00 51.00 O ATOM 657 CB ARG A 640 -3.766 1.505 9.149 1.00 14.12 C ATOM 658 CG ARG A 640 -4.396 2.802 9.632 1.00 22.40 C ATOM 659 CD ARG A 640 -3.766 4.011 8.960 1.00 1.54 C ATOM 660 NE ARG A 640 -3.855 5.209 9.793 1.00 20.51 N ATOM 661 CZ ARG A 640 -3.411 6.402 9.415 1.00 74.54 C ATOM 662 NH1 ARG A 640 -2.852 6.557 8.223 1.00 10.12 N ATOM 663 NH2 ARG A 640 -3.529 7.443 10.229 1.00 51.23 N ATOM 0 H ARG A 640 -1.062 1.622 8.746 1.00 22.21 H new ATOM 0 HA ARG A 640 -2.852 1.213 11.072 1.00 72.04 H new ATOM 0 HB2 ARG A 640 -3.405 1.644 8.130 1.00 14.12 H new ATOM 0 HB3 ARG A 640 -4.532 0.730 9.113 1.00 14.12 H new ATOM 0 HG2 ARG A 640 -5.466 2.787 9.426 1.00 22.40 H new ATOM 0 HG3 ARG A 640 -4.280 2.884 10.713 1.00 22.40 H new ATOM 0 HD2 ARG A 640 -2.720 3.799 8.740 1.00 1.54 H new ATOM 0 HD3 ARG A 640 -4.261 4.195 8.007 1.00 1.54 H new ATOM 0 HE ARG A 640 -4.282 5.124 10.716 1.00 20.51 H new ATOM 0 HH11 ARG A 640 -2.762 5.759 7.594 1.00 10.12 H new ATOM 0 HH12 ARG A 640 -2.512 7.474 7.935 1.00 10.12 H new ATOM 0 HH21 ARG A 640 -3.961 7.327 11.146 1.00 51.23 H new ATOM 0 HH22 ARG A 640 -3.188 8.359 9.938 1.00 51.23 H new ATOM 677 N GLU A 641 -1.151 -0.906 9.823 1.00 62.22 N ATOM 678 CA GLU A 641 -0.826 -2.318 9.652 1.00 42.52 C ATOM 679 C GLU A 641 -0.342 -2.928 10.964 1.00 62.22 C ATOM 680 O GLU A 641 0.843 -2.891 11.295 1.00 62.31 O ATOM 681 CB GLU A 641 0.245 -2.489 8.571 1.00 14.44 C ATOM 682 CG GLU A 641 0.448 -3.932 8.139 1.00 75.01 C ATOM 683 CD GLU A 641 0.713 -4.063 6.652 1.00 3.03 C ATOM 684 OE1 GLU A 641 1.832 -3.716 6.218 1.00 53.42 O ATOM 685 OE2 GLU A 641 -0.195 -4.513 5.924 1.00 43.32 O ATOM 0 H GLU A 641 -0.341 -0.295 9.925 1.00 62.22 H new ATOM 0 HA GLU A 641 -1.732 -2.839 9.342 1.00 42.52 H new ATOM 0 HB2 GLU A 641 -0.031 -1.893 7.701 1.00 14.44 H new ATOM 0 HB3 GLU A 641 1.190 -2.093 8.942 1.00 14.44 H new ATOM 0 HG2 GLU A 641 1.284 -4.359 8.692 1.00 75.01 H new ATOM 0 HG3 GLU A 641 -0.437 -4.513 8.399 1.00 75.01 H new ATOM 692 N PRO A 642 -1.281 -3.504 11.729 1.00 3.51 N ATOM 693 CA PRO A 642 -0.976 -4.133 13.018 1.00 61.55 C ATOM 694 C PRO A 642 -0.176 -5.422 12.857 1.00 33.31 C ATOM 695 O PRO A 642 0.710 -5.719 13.659 1.00 54.43 O ATOM 696 CB PRO A 642 -2.358 -4.431 13.604 1.00 50.11 C ATOM 697 CG PRO A 642 -3.255 -4.543 12.420 1.00 62.11 C ATOM 698 CD PRO A 642 -2.713 -3.585 11.397 1.00 50.42 C ATOM 0 HA PRO A 642 -0.360 -3.492 13.649 1.00 61.55 H new ATOM 0 HB2 PRO A 642 -2.351 -5.354 14.184 1.00 50.11 H new ATOM 0 HB3 PRO A 642 -2.684 -3.635 14.274 1.00 50.11 H new ATOM 0 HG2 PRO A 642 -3.265 -5.562 12.033 1.00 62.11 H new ATOM 0 HG3 PRO A 642 -4.282 -4.292 12.684 1.00 62.11 H new ATOM 0 HD2 PRO A 642 -2.870 -3.950 10.382 1.00 50.42 H new ATOM 0 HD3 PRO A 642 -3.196 -2.610 11.464 1.00 50.42 H new ATOM 706 N SER A 643 -0.496 -6.185 11.817 1.00 64.34 N ATOM 707 CA SER A 643 0.191 -7.445 11.553 1.00 2.21 C ATOM 708 C SER A 643 1.699 -7.231 11.452 1.00 75.31 C ATOM 709 O SER A 643 2.487 -8.086 11.858 1.00 10.23 O ATOM 710 CB SER A 643 -0.334 -8.076 10.262 1.00 1.03 C ATOM 711 OG SER A 643 0.054 -9.436 10.166 1.00 75.14 O ATOM 0 H SER A 643 -1.226 -5.953 11.143 1.00 64.34 H new ATOM 0 HA SER A 643 -0.008 -8.120 12.385 1.00 2.21 H new ATOM 0 HB2 SER A 643 -1.421 -8.002 10.233 1.00 1.03 H new ATOM 0 HB3 SER A 643 0.047 -7.524 9.403 1.00 1.03 H new ATOM 0 HG SER A 643 -0.295 -9.818 9.333 1.00 75.14 H new ATOM 717 N LEU A 644 2.091 -6.085 10.908 1.00 63.12 N ATOM 718 CA LEU A 644 3.504 -5.757 10.752 1.00 61.14 C ATOM 719 C LEU A 644 4.260 -5.967 12.061 1.00 42.42 C ATOM 720 O LEU A 644 4.981 -6.950 12.223 1.00 24.40 O ATOM 721 CB LEU A 644 3.664 -4.309 10.284 1.00 61.41 C ATOM 722 CG LEU A 644 4.088 -4.117 8.827 1.00 73.11 C ATOM 723 CD1 LEU A 644 3.939 -2.661 8.416 1.00 64.50 C ATOM 724 CD2 LEU A 644 5.520 -4.589 8.622 1.00 1.33 C ATOM 0 H LEU A 644 1.451 -5.367 10.568 1.00 63.12 H new ATOM 0 HA LEU A 644 3.925 -6.424 10.000 1.00 61.14 H new ATOM 0 HB2 LEU A 644 2.717 -3.792 10.437 1.00 61.41 H new ATOM 0 HB3 LEU A 644 4.400 -3.821 10.923 1.00 61.41 H new ATOM 0 HG LEU A 644 3.435 -4.719 8.195 1.00 73.11 H new ATOM 0 HD11 LEU A 644 4.245 -2.543 7.377 1.00 64.50 H new ATOM 0 HD12 LEU A 644 2.898 -2.357 8.524 1.00 64.50 H new ATOM 0 HD13 LEU A 644 4.567 -2.037 9.052 1.00 64.50 H new ATOM 0 HD21 LEU A 644 5.805 -4.445 7.580 1.00 1.33 H new ATOM 0 HD22 LEU A 644 6.188 -4.014 9.264 1.00 1.33 H new ATOM 0 HD23 LEU A 644 5.594 -5.646 8.876 1.00 1.33 H new ATOM 736 N LYS A 645 4.088 -5.035 12.992 1.00 34.52 N ATOM 737 CA LYS A 645 4.749 -5.118 14.289 1.00 22.44 C ATOM 738 C LYS A 645 6.236 -5.413 14.123 1.00 71.11 C ATOM 739 O LYS A 645 6.658 -6.568 14.169 1.00 31.14 O ATOM 740 CB LYS A 645 4.096 -6.202 15.149 1.00 33.24 C ATOM 741 CG LYS A 645 4.543 -6.179 16.601 1.00 5.44 C ATOM 742 CD LYS A 645 4.816 -7.579 17.123 1.00 14.15 C ATOM 743 CE LYS A 645 3.525 -8.353 17.342 1.00 64.03 C ATOM 744 NZ LYS A 645 3.479 -8.987 18.688 1.00 32.14 N ATOM 0 H LYS A 645 3.496 -4.213 12.872 1.00 34.52 H new ATOM 0 HA LYS A 645 4.641 -4.154 14.787 1.00 22.44 H new ATOM 0 HB2 LYS A 645 3.013 -6.082 15.109 1.00 33.24 H new ATOM 0 HB3 LYS A 645 4.325 -7.179 14.723 1.00 33.24 H new ATOM 0 HG2 LYS A 645 5.444 -5.572 16.696 1.00 5.44 H new ATOM 0 HG3 LYS A 645 3.774 -5.706 17.212 1.00 5.44 H new ATOM 0 HD2 LYS A 645 5.448 -8.116 16.415 1.00 14.15 H new ATOM 0 HD3 LYS A 645 5.368 -7.518 18.061 1.00 14.15 H new ATOM 0 HE2 LYS A 645 2.675 -7.680 17.228 1.00 64.03 H new ATOM 0 HE3 LYS A 645 3.428 -9.122 16.575 1.00 64.03 H new ATOM 0 HZ1 LYS A 645 2.584 -9.505 18.798 1.00 32.14 H new ATOM 0 HZ2 LYS A 645 4.276 -9.648 18.788 1.00 32.14 H new ATOM 0 HZ3 LYS A 645 3.546 -8.252 19.421 1.00 32.14 H new ATOM 758 N ASN A 646 7.026 -4.362 13.931 1.00 13.44 N ATOM 759 CA ASN A 646 8.466 -4.510 13.760 1.00 42.52 C ATOM 760 C ASN A 646 9.178 -3.175 13.963 1.00 41.43 C ATOM 761 O ASN A 646 8.636 -2.116 13.644 1.00 23.41 O ATOM 762 CB ASN A 646 8.781 -5.062 12.368 1.00 1.31 C ATOM 763 CG ASN A 646 9.133 -6.536 12.397 1.00 71.10 C ATOM 764 OD1 ASN A 646 10.002 -6.963 13.157 1.00 61.43 O ATOM 765 ND2 ASN A 646 8.458 -7.322 11.566 1.00 12.21 N ATOM 0 H ASN A 646 6.693 -3.399 13.890 1.00 13.44 H new ATOM 0 HA ASN A 646 8.826 -5.212 14.512 1.00 42.52 H new ATOM 0 HB2 ASN A 646 7.921 -4.909 11.716 1.00 1.31 H new ATOM 0 HB3 ASN A 646 9.611 -4.502 11.937 1.00 1.31 H new ATOM 0 HD21 ASN A 646 8.652 -8.323 11.540 1.00 12.21 H new ATOM 0 HD22 ASN A 646 7.746 -6.925 10.953 1.00 12.21 H new ATOM 772 N SER A 647 10.395 -3.234 14.493 1.00 2.13 N ATOM 773 CA SER A 647 11.180 -2.030 14.743 1.00 51.14 C ATOM 774 C SER A 647 12.028 -1.674 13.525 1.00 60.23 C ATOM 775 O SER A 647 12.874 -0.783 13.584 1.00 21.40 O ATOM 776 CB SER A 647 12.078 -2.225 15.965 1.00 62.24 C ATOM 777 OG SER A 647 13.400 -2.558 15.578 1.00 50.22 O ATOM 0 H SER A 647 10.859 -4.103 14.758 1.00 2.13 H new ATOM 0 HA SER A 647 10.490 -1.209 14.937 1.00 51.14 H new ATOM 0 HB2 SER A 647 12.089 -1.313 16.561 1.00 62.24 H new ATOM 0 HB3 SER A 647 11.671 -3.014 16.597 1.00 62.24 H new ATOM 0 HG SER A 647 13.955 -2.676 16.377 1.00 50.22 H new ATOM 783 N ASN A 648 11.793 -2.378 12.422 1.00 50.13 N ATOM 784 CA ASN A 648 12.536 -2.137 11.190 1.00 41.22 C ATOM 785 C ASN A 648 11.657 -1.446 10.152 1.00 51.23 C ATOM 786 O ASN A 648 10.956 -2.089 9.369 1.00 1.50 O ATOM 787 CB ASN A 648 13.070 -3.455 10.626 1.00 44.21 C ATOM 788 CG ASN A 648 13.863 -3.258 9.348 1.00 33.42 C ATOM 789 OD1 ASN A 648 15.087 -3.138 9.375 1.00 20.03 O ATOM 790 ND2 ASN A 648 13.165 -3.225 8.218 1.00 14.54 N ATOM 0 H ASN A 648 11.095 -3.119 12.356 1.00 50.13 H new ATOM 0 HA ASN A 648 13.376 -1.483 11.423 1.00 41.22 H new ATOM 0 HB2 ASN A 648 13.702 -3.937 11.372 1.00 44.21 H new ATOM 0 HB3 ASN A 648 12.235 -4.129 10.432 1.00 44.21 H new ATOM 0 HD21 ASN A 648 13.644 -3.096 7.327 1.00 14.54 H new ATOM 0 HD22 ASN A 648 12.151 -3.329 8.242 1.00 14.54 H new ATOM 797 N PRO A 649 11.694 -0.105 10.143 1.00 70.54 N ATOM 798 CA PRO A 649 10.908 0.702 9.204 1.00 1.14 C ATOM 799 C PRO A 649 11.413 0.581 7.771 1.00 42.32 C ATOM 800 O PRO A 649 10.782 1.075 6.837 1.00 1.33 O ATOM 801 CB PRO A 649 11.100 2.131 9.720 1.00 73.33 C ATOM 802 CG PRO A 649 12.399 2.100 10.447 1.00 51.53 C ATOM 803 CD PRO A 649 12.507 0.726 11.047 1.00 53.04 C ATOM 0 HA PRO A 649 9.866 0.384 9.165 1.00 1.14 H new ATOM 0 HB2 PRO A 649 11.123 2.848 8.900 1.00 73.33 H new ATOM 0 HB3 PRO A 649 10.284 2.427 10.380 1.00 73.33 H new ATOM 0 HG2 PRO A 649 13.230 2.296 9.769 1.00 51.53 H new ATOM 0 HG3 PRO A 649 12.431 2.867 11.221 1.00 51.53 H new ATOM 0 HD2 PRO A 649 13.541 0.384 11.086 1.00 53.04 H new ATOM 0 HD3 PRO A 649 12.125 0.702 12.068 1.00 53.04 H new ATOM 811 N ASP A 650 12.553 -0.079 7.604 1.00 31.44 N ATOM 812 CA ASP A 650 13.142 -0.267 6.284 1.00 61.25 C ATOM 813 C ASP A 650 12.485 -1.436 5.556 1.00 51.21 C ATOM 814 O ASP A 650 12.866 -1.775 4.437 1.00 33.10 O ATOM 815 CB ASP A 650 14.648 -0.507 6.403 1.00 44.44 C ATOM 816 CG ASP A 650 15.316 0.469 7.352 1.00 24.21 C ATOM 817 OD1 ASP A 650 15.075 0.366 8.573 1.00 52.40 O ATOM 818 OD2 ASP A 650 16.080 1.334 6.875 1.00 53.42 O ATOM 0 H ASP A 650 13.088 -0.493 8.367 1.00 31.44 H new ATOM 0 HA ASP A 650 12.971 0.641 5.705 1.00 61.25 H new ATOM 0 HB2 ASP A 650 14.825 -1.525 6.750 1.00 44.44 H new ATOM 0 HB3 ASP A 650 15.106 -0.422 5.417 1.00 44.44 H new ATOM 823 N GLU A 651 11.496 -2.048 6.201 1.00 12.54 N ATOM 824 CA GLU A 651 10.788 -3.179 5.616 1.00 32.05 C ATOM 825 C GLU A 651 9.304 -3.133 5.967 1.00 54.01 C ATOM 826 O GLU A 651 8.932 -2.796 7.091 1.00 13.14 O ATOM 827 CB GLU A 651 11.397 -4.496 6.102 1.00 74.54 C ATOM 828 CG GLU A 651 11.114 -5.672 5.182 1.00 75.43 C ATOM 829 CD GLU A 651 10.725 -6.927 5.941 1.00 0.40 C ATOM 830 OE1 GLU A 651 9.526 -7.085 6.250 1.00 71.31 O ATOM 831 OE2 GLU A 651 11.621 -7.748 6.226 1.00 1.04 O ATOM 0 H GLU A 651 11.168 -1.779 7.128 1.00 12.54 H new ATOM 0 HA GLU A 651 10.889 -3.117 4.532 1.00 32.05 H new ATOM 0 HB2 GLU A 651 12.476 -4.374 6.200 1.00 74.54 H new ATOM 0 HB3 GLU A 651 11.010 -4.721 7.096 1.00 74.54 H new ATOM 0 HG2 GLU A 651 10.312 -5.405 4.494 1.00 75.43 H new ATOM 0 HG3 GLU A 651 11.998 -5.877 4.578 1.00 75.43 H new ATOM 838 N ILE A 652 8.461 -3.471 4.997 1.00 63.52 N ATOM 839 CA ILE A 652 7.018 -3.469 5.203 1.00 11.01 C ATOM 840 C ILE A 652 6.358 -4.639 4.481 1.00 54.32 C ATOM 841 O ILE A 652 6.776 -5.021 3.389 1.00 61.31 O ATOM 842 CB ILE A 652 6.382 -2.154 4.717 1.00 51.54 C ATOM 843 CG1 ILE A 652 5.353 -1.653 5.732 1.00 41.00 C ATOM 844 CG2 ILE A 652 5.737 -2.350 3.353 1.00 4.04 C ATOM 845 CD1 ILE A 652 4.588 -0.434 5.266 1.00 73.01 C ATOM 0 H ILE A 652 8.753 -3.750 4.060 1.00 63.52 H new ATOM 0 HA ILE A 652 6.852 -3.568 6.276 1.00 11.01 H new ATOM 0 HB ILE A 652 7.166 -1.402 4.622 1.00 51.54 H new ATOM 0 HG12 ILE A 652 4.647 -2.455 5.947 1.00 41.00 H new ATOM 0 HG13 ILE A 652 5.862 -1.417 6.667 1.00 41.00 H new ATOM 0 HG21 ILE A 652 5.292 -1.411 3.023 1.00 4.04 H new ATOM 0 HG22 ILE A 652 6.494 -2.665 2.635 1.00 4.04 H new ATOM 0 HG23 ILE A 652 4.963 -3.114 3.423 1.00 4.04 H new ATOM 0 HD11 ILE A 652 3.877 -0.135 6.036 1.00 73.01 H new ATOM 0 HD12 ILE A 652 5.285 0.383 5.078 1.00 73.01 H new ATOM 0 HD13 ILE A 652 4.051 -0.671 4.348 1.00 73.01 H new ATOM 857 N GLU A 653 5.322 -5.200 5.097 1.00 44.42 N ATOM 858 CA GLU A 653 4.603 -6.324 4.511 1.00 61.31 C ATOM 859 C GLU A 653 3.135 -5.974 4.285 1.00 54.21 C ATOM 860 O GLU A 653 2.316 -6.067 5.200 1.00 1.12 O ATOM 861 CB GLU A 653 4.711 -7.554 5.415 1.00 70.53 C ATOM 862 CG GLU A 653 4.734 -8.869 4.653 1.00 10.11 C ATOM 863 CD GLU A 653 5.374 -9.992 5.446 1.00 15.45 C ATOM 864 OE1 GLU A 653 4.792 -10.400 6.474 1.00 1.31 O ATOM 865 OE2 GLU A 653 6.457 -10.463 5.040 1.00 55.11 O ATOM 0 H GLU A 653 4.962 -4.894 6.001 1.00 44.42 H new ATOM 0 HA GLU A 653 5.058 -6.549 3.546 1.00 61.31 H new ATOM 0 HB2 GLU A 653 5.618 -7.475 6.015 1.00 70.53 H new ATOM 0 HB3 GLU A 653 3.870 -7.560 6.108 1.00 70.53 H new ATOM 0 HG2 GLU A 653 3.714 -9.150 4.390 1.00 10.11 H new ATOM 0 HG3 GLU A 653 5.278 -8.733 3.718 1.00 10.11 H new ATOM 872 N ILE A 654 2.811 -5.569 3.062 1.00 62.41 N ATOM 873 CA ILE A 654 1.443 -5.204 2.715 1.00 35.30 C ATOM 874 C ILE A 654 0.636 -6.430 2.303 1.00 54.10 C ATOM 875 O ILE A 654 0.895 -7.037 1.263 1.00 44.21 O ATOM 876 CB ILE A 654 1.407 -4.172 1.573 1.00 62.14 C ATOM 877 CG1 ILE A 654 2.317 -2.985 1.900 1.00 62.51 C ATOM 878 CG2 ILE A 654 -0.018 -3.702 1.329 1.00 53.24 C ATOM 879 CD1 ILE A 654 2.119 -1.802 0.979 1.00 24.22 C ATOM 0 H ILE A 654 3.477 -5.485 2.294 1.00 62.41 H new ATOM 0 HA ILE A 654 0.999 -4.761 3.606 1.00 35.30 H new ATOM 0 HB ILE A 654 1.773 -4.646 0.663 1.00 62.14 H new ATOM 0 HG12 ILE A 654 2.135 -2.670 2.927 1.00 62.51 H new ATOM 0 HG13 ILE A 654 3.357 -3.308 1.845 1.00 62.51 H new ATOM 0 HG21 ILE A 654 -0.027 -2.973 0.519 1.00 53.24 H new ATOM 0 HG22 ILE A 654 -0.641 -4.554 1.057 1.00 53.24 H new ATOM 0 HG23 ILE A 654 -0.410 -3.241 2.236 1.00 53.24 H new ATOM 0 HD11 ILE A 654 2.796 -0.998 1.269 1.00 24.22 H new ATOM 0 HD12 ILE A 654 2.329 -2.101 -0.048 1.00 24.22 H new ATOM 0 HD13 ILE A 654 1.089 -1.453 1.051 1.00 24.22 H new ATOM 891 N ASP A 655 -0.346 -6.788 3.123 1.00 35.12 N ATOM 892 CA ASP A 655 -1.195 -7.941 2.842 1.00 12.24 C ATOM 893 C ASP A 655 -2.671 -7.562 2.927 1.00 62.41 C ATOM 894 O ASP A 655 -3.171 -7.210 3.995 1.00 12.02 O ATOM 895 CB ASP A 655 -0.891 -9.076 3.821 1.00 4.22 C ATOM 896 CG ASP A 655 0.494 -8.960 4.430 1.00 33.11 C ATOM 897 OD1 ASP A 655 1.466 -8.783 3.666 1.00 53.31 O ATOM 898 OD2 ASP A 655 0.604 -9.044 5.671 1.00 33.33 O ATOM 0 H ASP A 655 -0.574 -6.297 3.987 1.00 35.12 H new ATOM 0 HA ASP A 655 -0.982 -8.279 1.828 1.00 12.24 H new ATOM 0 HB2 ASP A 655 -1.636 -9.075 4.617 1.00 4.22 H new ATOM 0 HB3 ASP A 655 -0.979 -10.031 3.304 1.00 4.22 H new ATOM 903 N PHE A 656 -3.361 -7.636 1.794 1.00 43.44 N ATOM 904 CA PHE A 656 -4.778 -7.299 1.740 1.00 51.25 C ATOM 905 C PHE A 656 -5.571 -8.113 2.757 1.00 21.42 C ATOM 906 O PHE A 656 -6.579 -7.650 3.288 1.00 10.42 O ATOM 907 CB PHE A 656 -5.329 -7.545 0.333 1.00 44.21 C ATOM 908 CG PHE A 656 -6.283 -6.482 -0.131 1.00 74.44 C ATOM 909 CD1 PHE A 656 -7.072 -5.796 0.777 1.00 11.45 C ATOM 910 CD2 PHE A 656 -6.393 -6.172 -1.477 1.00 54.12 C ATOM 911 CE1 PHE A 656 -7.952 -4.817 0.354 1.00 65.14 C ATOM 912 CE2 PHE A 656 -7.271 -5.194 -1.907 1.00 3.11 C ATOM 913 CZ PHE A 656 -8.052 -4.517 -0.992 1.00 4.05 C ATOM 0 H PHE A 656 -2.962 -7.926 0.901 1.00 43.44 H new ATOM 0 HA PHE A 656 -4.883 -6.242 1.986 1.00 51.25 H new ATOM 0 HB2 PHE A 656 -4.497 -7.607 -0.369 1.00 44.21 H new ATOM 0 HB3 PHE A 656 -5.835 -8.510 0.313 1.00 44.21 H new ATOM 0 HD1 PHE A 656 -6.999 -6.029 1.829 1.00 11.45 H new ATOM 0 HD2 PHE A 656 -5.787 -6.700 -2.198 1.00 54.12 H new ATOM 0 HE1 PHE A 656 -8.560 -4.288 1.073 1.00 65.14 H new ATOM 0 HE2 PHE A 656 -7.346 -4.960 -2.959 1.00 3.11 H new ATOM 0 HZ PHE A 656 -8.740 -3.755 -1.327 1.00 4.05 H new ATOM 923 N GLU A 657 -5.106 -9.330 3.023 1.00 13.14 N ATOM 924 CA GLU A 657 -5.772 -10.210 3.977 1.00 41.31 C ATOM 925 C GLU A 657 -5.795 -9.585 5.369 1.00 1.22 C ATOM 926 O GLU A 657 -6.572 -9.993 6.233 1.00 0.30 O ATOM 927 CB GLU A 657 -5.071 -11.569 4.027 1.00 42.23 C ATOM 928 CG GLU A 657 -5.841 -12.677 3.329 1.00 72.01 C ATOM 929 CD GLU A 657 -5.057 -13.973 3.252 1.00 13.41 C ATOM 930 OE1 GLU A 657 -3.879 -13.980 3.665 1.00 50.42 O ATOM 931 OE2 GLU A 657 -5.624 -14.981 2.779 1.00 51.51 O ATOM 0 H GLU A 657 -4.272 -9.729 2.592 1.00 13.14 H new ATOM 0 HA GLU A 657 -6.800 -10.352 3.645 1.00 41.31 H new ATOM 0 HB2 GLU A 657 -4.086 -11.478 3.568 1.00 42.23 H new ATOM 0 HB3 GLU A 657 -4.913 -11.849 5.069 1.00 42.23 H new ATOM 0 HG2 GLU A 657 -6.777 -12.854 3.859 1.00 72.01 H new ATOM 0 HG3 GLU A 657 -6.102 -12.354 2.321 1.00 72.01 H new ATOM 938 N THR A 658 -4.936 -8.593 5.581 1.00 23.22 N ATOM 939 CA THR A 658 -4.855 -7.913 6.867 1.00 12.02 C ATOM 940 C THR A 658 -5.186 -6.432 6.727 1.00 10.23 C ATOM 941 O THR A 658 -5.649 -5.796 7.676 1.00 61.43 O ATOM 942 CB THR A 658 -3.455 -8.058 7.492 1.00 14.45 C ATOM 943 OG1 THR A 658 -2.562 -7.094 6.924 1.00 42.42 O ATOM 944 CG2 THR A 658 -2.905 -9.459 7.270 1.00 74.22 C ATOM 0 H THR A 658 -4.286 -8.243 4.877 1.00 23.22 H new ATOM 0 HA THR A 658 -5.587 -8.386 7.521 1.00 12.02 H new ATOM 0 HB THR A 658 -3.541 -7.885 8.565 1.00 14.45 H new ATOM 0 HG1 THR A 658 -2.678 -7.074 5.951 1.00 42.42 H new ATOM 0 HG21 THR A 658 -1.915 -9.537 7.720 1.00 74.22 H new ATOM 0 HG22 THR A 658 -3.571 -10.189 7.730 1.00 74.22 H new ATOM 0 HG23 THR A 658 -2.834 -9.657 6.200 1.00 74.22 H new ATOM 952 N LEU A 659 -4.947 -5.886 5.541 1.00 72.33 N ATOM 953 CA LEU A 659 -5.220 -4.478 5.277 1.00 50.14 C ATOM 954 C LEU A 659 -6.693 -4.156 5.507 1.00 74.02 C ATOM 955 O LEU A 659 -7.576 -4.904 5.085 1.00 15.02 O ATOM 956 CB LEU A 659 -4.828 -4.122 3.842 1.00 44.21 C ATOM 957 CG LEU A 659 -3.327 -4.028 3.560 1.00 31.32 C ATOM 958 CD1 LEU A 659 -3.037 -4.343 2.100 1.00 1.44 C ATOM 959 CD2 LEU A 659 -2.801 -2.648 3.925 1.00 51.05 C ATOM 0 H LEU A 659 -4.564 -6.397 4.746 1.00 72.33 H new ATOM 0 HA LEU A 659 -4.624 -3.883 5.969 1.00 50.14 H new ATOM 0 HB2 LEU A 659 -5.257 -4.868 3.174 1.00 44.21 H new ATOM 0 HB3 LEU A 659 -5.286 -3.166 3.588 1.00 44.21 H new ATOM 0 HG LEU A 659 -2.814 -4.765 4.178 1.00 31.32 H new ATOM 0 HD11 LEU A 659 -1.965 -4.271 1.918 1.00 1.44 H new ATOM 0 HD12 LEU A 659 -3.377 -5.353 1.871 1.00 1.44 H new ATOM 0 HD13 LEU A 659 -3.561 -3.631 1.463 1.00 1.44 H new ATOM 0 HD21 LEU A 659 -1.732 -2.600 3.718 1.00 51.05 H new ATOM 0 HD22 LEU A 659 -3.320 -1.893 3.334 1.00 51.05 H new ATOM 0 HD23 LEU A 659 -2.974 -2.461 4.985 1.00 51.05 H new ATOM 971 N LYS A 660 -6.953 -3.039 6.177 1.00 43.33 N ATOM 972 CA LYS A 660 -8.319 -2.615 6.461 1.00 60.14 C ATOM 973 C LYS A 660 -8.860 -1.733 5.339 1.00 25.31 C ATOM 974 O LYS A 660 -8.114 -1.235 4.494 1.00 31.54 O ATOM 975 CB LYS A 660 -8.374 -1.858 7.790 1.00 71.44 C ATOM 976 CG LYS A 660 -8.856 -2.708 8.952 1.00 12.45 C ATOM 977 CD LYS A 660 -7.855 -3.796 9.302 1.00 73.20 C ATOM 978 CE LYS A 660 -6.999 -3.403 10.495 1.00 23.40 C ATOM 979 NZ LYS A 660 -7.657 -3.743 11.786 1.00 25.35 N ATOM 0 H LYS A 660 -6.234 -2.410 6.534 1.00 43.33 H new ATOM 0 HA LYS A 660 -8.942 -3.507 6.531 1.00 60.14 H new ATOM 0 HB2 LYS A 660 -7.381 -1.472 8.020 1.00 71.44 H new ATOM 0 HB3 LYS A 660 -9.034 -0.997 7.682 1.00 71.44 H new ATOM 0 HG2 LYS A 660 -9.024 -2.074 9.822 1.00 12.45 H new ATOM 0 HG3 LYS A 660 -9.814 -3.162 8.699 1.00 12.45 H new ATOM 0 HD2 LYS A 660 -8.385 -4.722 9.523 1.00 73.20 H new ATOM 0 HD3 LYS A 660 -7.214 -3.993 8.442 1.00 73.20 H new ATOM 0 HE2 LYS A 660 -6.036 -3.910 10.434 1.00 23.40 H new ATOM 0 HE3 LYS A 660 -6.798 -2.332 10.461 1.00 23.40 H new ATOM 0 HZ1 LYS A 660 -7.041 -3.459 12.575 1.00 25.35 H new ATOM 0 HZ2 LYS A 660 -8.564 -3.240 11.856 1.00 25.35 H new ATOM 0 HZ3 LYS A 660 -7.826 -4.768 11.830 1.00 25.35 H new ATOM 993 N PRO A 661 -10.186 -1.534 5.329 1.00 22.21 N ATOM 994 CA PRO A 661 -10.855 -0.710 4.318 1.00 61.44 C ATOM 995 C PRO A 661 -10.534 0.773 4.474 1.00 72.54 C ATOM 996 O PRO A 661 -10.670 1.549 3.528 1.00 21.13 O ATOM 997 CB PRO A 661 -12.341 -0.966 4.578 1.00 33.45 C ATOM 998 CG PRO A 661 -12.411 -1.359 6.014 1.00 73.31 C ATOM 999 CD PRO A 661 -11.134 -2.097 6.305 1.00 52.24 C ATOM 0 HA PRO A 661 -10.535 -0.965 3.308 1.00 61.44 H new ATOM 0 HB2 PRO A 661 -12.937 -0.075 4.382 1.00 33.45 H new ATOM 0 HB3 PRO A 661 -12.726 -1.755 3.932 1.00 33.45 H new ATOM 0 HG2 PRO A 661 -12.509 -0.482 6.654 1.00 73.31 H new ATOM 0 HG3 PRO A 661 -13.279 -1.991 6.204 1.00 73.31 H new ATOM 0 HD2 PRO A 661 -10.800 -1.934 7.330 1.00 52.24 H new ATOM 0 HD3 PRO A 661 -11.253 -3.173 6.176 1.00 52.24 H new ATOM 1007 N SER A 662 -10.107 1.159 5.671 1.00 64.41 N ATOM 1008 CA SER A 662 -9.770 2.549 5.951 1.00 21.35 C ATOM 1009 C SER A 662 -8.391 2.895 5.399 1.00 1.13 C ATOM 1010 O SER A 662 -8.199 3.947 4.787 1.00 31.23 O ATOM 1011 CB SER A 662 -9.811 2.813 7.458 1.00 64.52 C ATOM 1012 OG SER A 662 -10.936 3.600 7.807 1.00 5.43 O ATOM 0 H SER A 662 -9.986 0.528 6.463 1.00 64.41 H new ATOM 0 HA SER A 662 -10.508 3.182 5.459 1.00 21.35 H new ATOM 0 HB2 SER A 662 -9.845 1.865 7.996 1.00 64.52 H new ATOM 0 HB3 SER A 662 -8.898 3.322 7.766 1.00 64.52 H new ATOM 0 HG SER A 662 -10.870 4.476 7.373 1.00 5.43 H new ATOM 1018 N THR A 663 -7.430 2.003 5.622 1.00 41.03 N ATOM 1019 CA THR A 663 -6.068 2.213 5.148 1.00 3.33 C ATOM 1020 C THR A 663 -6.032 2.386 3.635 1.00 2.40 C ATOM 1021 O THR A 663 -5.519 3.385 3.126 1.00 75.45 O ATOM 1022 CB THR A 663 -5.149 1.040 5.541 1.00 34.13 C ATOM 1023 OG1 THR A 663 -5.524 0.535 6.828 1.00 41.22 O ATOM 1024 CG2 THR A 663 -3.693 1.478 5.566 1.00 0.24 C ATOM 0 H THR A 663 -7.570 1.129 6.128 1.00 41.03 H new ATOM 0 HA THR A 663 -5.706 3.124 5.623 1.00 3.33 H new ATOM 0 HB THR A 663 -5.261 0.253 4.795 1.00 34.13 H new ATOM 0 HG1 THR A 663 -4.937 -0.211 7.070 1.00 41.22 H new ATOM 0 HG21 THR A 663 -3.064 0.633 5.846 1.00 0.24 H new ATOM 0 HG22 THR A 663 -3.403 1.834 4.578 1.00 0.24 H new ATOM 0 HG23 THR A 663 -3.567 2.281 6.293 1.00 0.24 H new ATOM 1032 N LEU A 664 -6.578 1.410 2.919 1.00 70.31 N ATOM 1033 CA LEU A 664 -6.610 1.455 1.461 1.00 4.41 C ATOM 1034 C LEU A 664 -7.172 2.785 0.970 1.00 63.25 C ATOM 1035 O LEU A 664 -6.582 3.441 0.110 1.00 30.32 O ATOM 1036 CB LEU A 664 -7.448 0.300 0.913 1.00 30.21 C ATOM 1037 CG LEU A 664 -6.693 -0.749 0.095 1.00 33.14 C ATOM 1038 CD1 LEU A 664 -6.518 -2.027 0.899 1.00 21.42 C ATOM 1039 CD2 LEU A 664 -7.422 -1.033 -1.210 1.00 42.23 C ATOM 0 H LEU A 664 -7.005 0.577 3.324 1.00 70.31 H new ATOM 0 HA LEU A 664 -5.587 1.357 1.097 1.00 4.41 H new ATOM 0 HB2 LEU A 664 -7.931 -0.201 1.751 1.00 30.21 H new ATOM 0 HB3 LEU A 664 -8.240 0.716 0.290 1.00 30.21 H new ATOM 0 HG LEU A 664 -5.705 -0.355 -0.142 1.00 33.14 H new ATOM 0 HD11 LEU A 664 -5.979 -2.762 0.301 1.00 21.42 H new ATOM 0 HD12 LEU A 664 -5.953 -1.812 1.806 1.00 21.42 H new ATOM 0 HD13 LEU A 664 -7.497 -2.425 1.167 1.00 21.42 H new ATOM 0 HD21 LEU A 664 -6.871 -1.781 -1.779 1.00 42.23 H new ATOM 0 HD22 LEU A 664 -8.423 -1.406 -0.994 1.00 42.23 H new ATOM 0 HD23 LEU A 664 -7.495 -0.115 -1.793 1.00 42.23 H new ATOM 1051 N ARG A 665 -8.315 3.178 1.521 1.00 12.23 N ATOM 1052 CA ARG A 665 -8.957 4.431 1.140 1.00 63.25 C ATOM 1053 C ARG A 665 -7.970 5.592 1.215 1.00 53.44 C ATOM 1054 O ARG A 665 -8.065 6.550 0.448 1.00 54.13 O ATOM 1055 CB ARG A 665 -10.159 4.709 2.044 1.00 4.45 C ATOM 1056 CG ARG A 665 -11.498 4.534 1.349 1.00 32.14 C ATOM 1057 CD ARG A 665 -11.781 5.678 0.389 1.00 74.52 C ATOM 1058 NE ARG A 665 -13.088 6.285 0.629 1.00 33.34 N ATOM 1059 CZ ARG A 665 -13.669 7.135 -0.209 1.00 73.34 C ATOM 1060 NH1 ARG A 665 -13.064 7.477 -1.338 1.00 63.10 N ATOM 1061 NH2 ARG A 665 -14.860 7.645 0.080 1.00 22.01 N ATOM 0 H ARG A 665 -8.816 2.647 2.233 1.00 12.23 H new ATOM 0 HA ARG A 665 -9.301 4.335 0.110 1.00 63.25 H new ATOM 0 HB2 ARG A 665 -10.117 4.042 2.905 1.00 4.45 H new ATOM 0 HB3 ARG A 665 -10.088 5.728 2.425 1.00 4.45 H new ATOM 0 HG2 ARG A 665 -11.506 3.590 0.804 1.00 32.14 H new ATOM 0 HG3 ARG A 665 -12.291 4.478 2.094 1.00 32.14 H new ATOM 0 HD2 ARG A 665 -11.005 6.437 0.491 1.00 74.52 H new ATOM 0 HD3 ARG A 665 -11.735 5.310 -0.636 1.00 74.52 H new ATOM 0 HE ARG A 665 -13.581 6.042 1.488 1.00 33.34 H new ATOM 0 HH11 ARG A 665 -12.149 7.087 -1.565 1.00 63.10 H new ATOM 0 HH12 ARG A 665 -13.513 8.130 -1.980 1.00 63.10 H new ATOM 0 HH21 ARG A 665 -15.330 7.384 0.947 1.00 22.01 H new ATOM 0 HH22 ARG A 665 -15.305 8.298 -0.565 1.00 22.01 H new ATOM 1075 N GLU A 666 -7.024 5.499 2.144 1.00 10.13 N ATOM 1076 CA GLU A 666 -6.022 6.544 2.319 1.00 22.14 C ATOM 1077 C GLU A 666 -4.964 6.473 1.221 1.00 33.30 C ATOM 1078 O GLU A 666 -4.500 7.499 0.723 1.00 55.12 O ATOM 1079 CB GLU A 666 -5.357 6.418 3.692 1.00 23.21 C ATOM 1080 CG GLU A 666 -4.684 7.697 4.161 1.00 24.53 C ATOM 1081 CD GLU A 666 -5.652 8.860 4.269 1.00 62.15 C ATOM 1082 OE1 GLU A 666 -6.718 8.690 4.895 1.00 20.20 O ATOM 1083 OE2 GLU A 666 -5.341 9.940 3.723 1.00 30.14 O ATOM 0 H GLU A 666 -6.930 4.712 2.786 1.00 10.13 H new ATOM 0 HA GLU A 666 -6.525 7.509 2.253 1.00 22.14 H new ATOM 0 HB2 GLU A 666 -6.108 6.123 4.425 1.00 23.21 H new ATOM 0 HB3 GLU A 666 -4.616 5.619 3.656 1.00 23.21 H new ATOM 0 HG2 GLU A 666 -4.220 7.524 5.132 1.00 24.53 H new ATOM 0 HG3 GLU A 666 -3.884 7.958 3.468 1.00 24.53 H new ATOM 1090 N LEU A 667 -4.587 5.254 0.849 1.00 34.34 N ATOM 1091 CA LEU A 667 -3.585 5.047 -0.190 1.00 62.22 C ATOM 1092 C LEU A 667 -4.088 5.548 -1.540 1.00 63.52 C ATOM 1093 O LEU A 667 -3.488 6.435 -2.146 1.00 4.02 O ATOM 1094 CB LEU A 667 -3.220 3.565 -0.286 1.00 60.33 C ATOM 1095 CG LEU A 667 -3.168 2.799 1.037 1.00 61.34 C ATOM 1096 CD1 LEU A 667 -2.610 1.400 0.822 1.00 2.31 C ATOM 1097 CD2 LEU A 667 -2.333 3.557 2.059 1.00 72.21 C ATOM 0 H LEU A 667 -4.960 4.395 1.252 1.00 34.34 H new ATOM 0 HA LEU A 667 -2.696 5.617 0.079 1.00 62.22 H new ATOM 0 HB2 LEU A 667 -3.943 3.075 -0.938 1.00 60.33 H new ATOM 0 HB3 LEU A 667 -2.247 3.482 -0.769 1.00 60.33 H new ATOM 0 HG LEU A 667 -4.183 2.708 1.423 1.00 61.34 H new ATOM 0 HD11 LEU A 667 -2.580 0.870 1.774 1.00 2.31 H new ATOM 0 HD12 LEU A 667 -3.248 0.857 0.124 1.00 2.31 H new ATOM 0 HD13 LEU A 667 -1.602 1.469 0.414 1.00 2.31 H new ATOM 0 HD21 LEU A 667 -2.307 2.998 2.994 1.00 72.21 H new ATOM 0 HD22 LEU A 667 -1.318 3.679 1.681 1.00 72.21 H new ATOM 0 HD23 LEU A 667 -2.775 4.538 2.235 1.00 72.21 H new ATOM 1109 N GLU A 668 -5.194 4.974 -2.003 1.00 51.21 N ATOM 1110 CA GLU A 668 -5.778 5.364 -3.281 1.00 62.33 C ATOM 1111 C GLU A 668 -5.991 6.874 -3.344 1.00 62.52 C ATOM 1112 O GLU A 668 -5.860 7.485 -4.405 1.00 11.22 O ATOM 1113 CB GLU A 668 -7.109 4.641 -3.500 1.00 43.04 C ATOM 1114 CG GLU A 668 -7.676 4.821 -4.899 1.00 14.44 C ATOM 1115 CD GLU A 668 -8.805 5.832 -4.943 1.00 51.31 C ATOM 1116 OE1 GLU A 668 -8.512 7.046 -4.979 1.00 13.14 O ATOM 1117 OE2 GLU A 668 -9.981 5.411 -4.944 1.00 5.21 O ATOM 0 H GLU A 668 -5.703 4.238 -1.513 1.00 51.21 H new ATOM 0 HA GLU A 668 -5.083 5.079 -4.071 1.00 62.33 H new ATOM 0 HB2 GLU A 668 -6.971 3.577 -3.307 1.00 43.04 H new ATOM 0 HB3 GLU A 668 -7.835 5.005 -2.773 1.00 43.04 H new ATOM 0 HG2 GLU A 668 -6.880 5.141 -5.572 1.00 14.44 H new ATOM 0 HG3 GLU A 668 -8.038 3.861 -5.267 1.00 14.44 H new ATOM 1124 N ARG A 669 -6.319 7.467 -2.202 1.00 3.01 N ATOM 1125 CA ARG A 669 -6.552 8.904 -2.127 1.00 4.55 C ATOM 1126 C ARG A 669 -5.286 9.679 -2.481 1.00 62.21 C ATOM 1127 O ARG A 669 -5.351 10.760 -3.067 1.00 62.02 O ATOM 1128 CB ARG A 669 -7.025 9.294 -0.725 1.00 60.44 C ATOM 1129 CG ARG A 669 -8.529 9.493 -0.624 1.00 63.43 C ATOM 1130 CD ARG A 669 -8.951 9.831 0.797 1.00 31.21 C ATOM 1131 NE ARG A 669 -8.877 11.265 1.064 1.00 73.21 N ATOM 1132 CZ ARG A 669 -8.994 11.794 2.278 1.00 71.44 C ATOM 1133 NH1 ARG A 669 -9.188 11.010 3.330 1.00 43.05 N ATOM 1134 NH2 ARG A 669 -8.915 13.108 2.440 1.00 35.31 N ATOM 0 H ARG A 669 -6.430 6.975 -1.315 1.00 3.01 H new ATOM 0 HA ARG A 669 -7.328 9.158 -2.849 1.00 4.55 H new ATOM 0 HB2 ARG A 669 -6.721 8.521 -0.020 1.00 60.44 H new ATOM 0 HB3 ARG A 669 -6.524 10.214 -0.424 1.00 60.44 H new ATOM 0 HG2 ARG A 669 -8.837 10.293 -1.297 1.00 63.43 H new ATOM 0 HG3 ARG A 669 -9.040 8.587 -0.951 1.00 63.43 H new ATOM 0 HD2 ARG A 669 -9.970 9.483 0.965 1.00 31.21 H new ATOM 0 HD3 ARG A 669 -8.312 9.298 1.501 1.00 31.21 H new ATOM 0 HE ARG A 669 -8.727 11.895 0.276 1.00 73.21 H new ATOM 0 HH11 ARG A 669 -9.248 9.999 3.209 1.00 43.05 H new ATOM 0 HH12 ARG A 669 -9.277 11.418 4.261 1.00 43.05 H new ATOM 0 HH21 ARG A 669 -8.764 13.713 1.633 1.00 35.31 H new ATOM 0 HH22 ARG A 669 -9.005 13.513 3.372 1.00 35.31 H new ATOM 1148 N TYR A 670 -4.136 9.120 -2.121 1.00 13.31 N ATOM 1149 CA TYR A 670 -2.855 9.760 -2.398 1.00 32.32 C ATOM 1150 C TYR A 670 -2.410 9.489 -3.832 1.00 21.54 C ATOM 1151 O TYR A 670 -2.099 10.413 -4.583 1.00 12.31 O ATOM 1152 CB TYR A 670 -1.790 9.261 -1.419 1.00 14.22 C ATOM 1153 CG TYR A 670 -1.356 10.305 -0.415 1.00 44.13 C ATOM 1154 CD1 TYR A 670 -0.654 11.436 -0.818 1.00 72.42 C ATOM 1155 CD2 TYR A 670 -1.646 10.162 0.936 1.00 65.23 C ATOM 1156 CE1 TYR A 670 -0.254 12.391 0.096 1.00 10.03 C ATOM 1157 CE2 TYR A 670 -1.251 11.113 1.857 1.00 63.22 C ATOM 1158 CZ TYR A 670 -0.555 12.226 1.432 1.00 65.43 C ATOM 1159 OH TYR A 670 -0.159 13.176 2.345 1.00 12.23 O ATOM 0 H TYR A 670 -4.064 8.225 -1.637 1.00 13.31 H new ATOM 0 HA TYR A 670 -2.980 10.836 -2.272 1.00 32.32 H new ATOM 0 HB2 TYR A 670 -2.177 8.394 -0.885 1.00 14.22 H new ATOM 0 HB3 TYR A 670 -0.919 8.926 -1.982 1.00 14.22 H new ATOM 0 HD1 TYR A 670 -0.418 11.570 -1.863 1.00 72.42 H new ATOM 0 HD2 TYR A 670 -2.190 9.292 1.272 1.00 65.23 H new ATOM 0 HE1 TYR A 670 0.292 13.263 -0.234 1.00 10.03 H new ATOM 0 HE2 TYR A 670 -1.486 10.986 2.904 1.00 63.22 H new ATOM 0 HH TYR A 670 -0.451 12.909 3.242 1.00 12.23 H new ATOM 1169 N VAL A 671 -2.381 8.213 -4.204 1.00 51.13 N ATOM 1170 CA VAL A 671 -1.977 7.818 -5.548 1.00 64.10 C ATOM 1171 C VAL A 671 -2.861 8.472 -6.603 1.00 40.22 C ATOM 1172 O VAL A 671 -2.414 8.759 -7.715 1.00 30.43 O ATOM 1173 CB VAL A 671 -2.031 6.289 -5.725 1.00 74.32 C ATOM 1174 CG1 VAL A 671 -3.465 5.827 -5.937 1.00 65.33 C ATOM 1175 CG2 VAL A 671 -1.145 5.854 -6.883 1.00 11.33 C ATOM 0 H VAL A 671 -2.632 7.436 -3.593 1.00 51.13 H new ATOM 0 HA VAL A 671 -0.949 8.155 -5.680 1.00 64.10 H new ATOM 0 HB VAL A 671 -1.654 5.822 -4.815 1.00 74.32 H new ATOM 0 HG11 VAL A 671 -3.484 4.744 -6.060 1.00 65.33 H new ATOM 0 HG12 VAL A 671 -4.068 6.104 -5.073 1.00 65.33 H new ATOM 0 HG13 VAL A 671 -3.872 6.301 -6.830 1.00 65.33 H new ATOM 0 HG21 VAL A 671 -1.196 4.771 -6.993 1.00 11.33 H new ATOM 0 HG22 VAL A 671 -1.489 6.329 -7.802 1.00 11.33 H new ATOM 0 HG23 VAL A 671 -0.115 6.151 -6.685 1.00 11.33 H new ATOM 1185 N THR A 672 -4.120 8.708 -6.249 1.00 41.22 N ATOM 1186 CA THR A 672 -5.069 9.328 -7.165 1.00 22.01 C ATOM 1187 C THR A 672 -4.878 10.840 -7.214 1.00 64.43 C ATOM 1188 O THR A 672 -5.140 11.475 -8.236 1.00 12.43 O ATOM 1189 CB THR A 672 -6.524 9.019 -6.762 1.00 44.51 C ATOM 1190 OG1 THR A 672 -6.760 7.609 -6.827 1.00 32.23 O ATOM 1191 CG2 THR A 672 -7.503 9.745 -7.672 1.00 25.02 C ATOM 0 H THR A 672 -4.507 8.479 -5.333 1.00 41.22 H new ATOM 0 HA THR A 672 -4.876 8.907 -8.152 1.00 22.01 H new ATOM 0 HB THR A 672 -6.677 9.366 -5.740 1.00 44.51 H new ATOM 0 HG1 THR A 672 -6.842 7.249 -5.919 1.00 32.23 H new ATOM 0 HG21 THR A 672 -8.524 9.512 -7.368 1.00 25.02 H new ATOM 0 HG22 THR A 672 -7.339 10.820 -7.598 1.00 25.02 H new ATOM 0 HG23 THR A 672 -7.349 9.424 -8.702 1.00 25.02 H new ATOM 1199 N SER A 673 -4.418 11.410 -6.106 1.00 3.31 N ATOM 1200 CA SER A 673 -4.194 12.848 -6.022 1.00 12.11 C ATOM 1201 C SER A 673 -2.984 13.260 -6.855 1.00 60.34 C ATOM 1202 O SER A 673 -2.952 14.351 -7.425 1.00 44.14 O ATOM 1203 CB SER A 673 -3.991 13.270 -4.565 1.00 0.32 C ATOM 1204 OG SER A 673 -2.709 12.891 -4.098 1.00 41.22 O ATOM 0 H SER A 673 -4.193 10.898 -5.253 1.00 3.31 H new ATOM 0 HA SER A 673 -5.075 13.351 -6.420 1.00 12.11 H new ATOM 0 HB2 SER A 673 -4.109 14.350 -4.476 1.00 0.32 H new ATOM 0 HB3 SER A 673 -4.759 12.813 -3.941 1.00 0.32 H new ATOM 0 HG SER A 673 -2.650 11.913 -4.062 1.00 41.22 H new ATOM 1210 N CYS A 674 -1.992 12.379 -6.921 1.00 71.32 N ATOM 1211 CA CYS A 674 -0.779 12.649 -7.684 1.00 32.03 C ATOM 1212 C CYS A 674 -0.935 12.197 -9.133 1.00 12.24 C ATOM 1213 O CYS A 674 -0.675 12.960 -10.063 1.00 41.42 O ATOM 1214 CB CYS A 674 0.418 11.945 -7.044 1.00 71.23 C ATOM 1215 SG CYS A 674 1.653 13.069 -6.352 1.00 2.10 S ATOM 0 H CYS A 674 -2.004 11.472 -6.455 1.00 71.32 H new ATOM 0 HA CYS A 674 -0.606 13.725 -7.675 1.00 32.03 H new ATOM 0 HB2 CYS A 674 0.058 11.287 -6.253 1.00 71.23 H new ATOM 0 HB3 CYS A 674 0.896 11.313 -7.792 1.00 71.23 H new ATOM 0 HG CYS A 674 2.089 12.593 -5.224 1.00 2.10 H new ATOM 1221 N LEU A 675 -1.362 10.953 -9.316 1.00 24.55 N ATOM 1222 CA LEU A 675 -1.552 10.398 -10.651 1.00 50.25 C ATOM 1223 C LEU A 675 -2.739 11.054 -11.350 1.00 3.55 C ATOM 1224 O LEU A 675 -2.777 11.145 -12.577 1.00 3.30 O ATOM 1225 CB LEU A 675 -1.765 8.886 -10.571 1.00 64.32 C ATOM 1226 CG LEU A 675 -1.189 8.064 -11.725 1.00 51.54 C ATOM 1227 CD1 LEU A 675 -1.356 6.577 -11.458 1.00 51.21 C ATOM 1228 CD2 LEU A 675 -1.855 8.450 -13.038 1.00 42.44 C ATOM 0 H LEU A 675 -1.583 10.309 -8.556 1.00 24.55 H new ATOM 0 HA LEU A 675 -0.653 10.602 -11.233 1.00 50.25 H new ATOM 0 HB2 LEU A 675 -1.326 8.526 -9.641 1.00 64.32 H new ATOM 0 HB3 LEU A 675 -2.836 8.693 -10.513 1.00 64.32 H new ATOM 0 HG LEU A 675 -0.123 8.280 -11.803 1.00 51.54 H new ATOM 0 HD11 LEU A 675 -0.940 6.009 -12.290 1.00 51.21 H new ATOM 0 HD12 LEU A 675 -0.832 6.311 -10.540 1.00 51.21 H new ATOM 0 HD13 LEU A 675 -2.415 6.343 -11.352 1.00 51.21 H new ATOM 0 HD21 LEU A 675 -1.433 7.856 -13.848 1.00 42.44 H new ATOM 0 HD22 LEU A 675 -2.927 8.264 -12.971 1.00 42.44 H new ATOM 0 HD23 LEU A 675 -1.683 9.508 -13.236 1.00 42.44 H new ATOM 1240 N ARG A 676 -3.704 11.511 -10.560 1.00 15.52 N ATOM 1241 CA ARG A 676 -4.892 12.160 -11.102 1.00 35.12 C ATOM 1242 C ARG A 676 -5.687 11.195 -11.976 1.00 34.20 C ATOM 1243 O ARG A 676 -6.110 11.543 -13.079 1.00 71.40 O ATOM 1244 CB ARG A 676 -4.499 13.395 -11.915 1.00 30.33 C ATOM 1245 CG ARG A 676 -5.670 14.305 -12.245 1.00 40.03 C ATOM 1246 CD ARG A 676 -5.489 15.689 -11.640 1.00 35.33 C ATOM 1247 NE ARG A 676 -6.548 16.608 -12.049 1.00 64.42 N ATOM 1248 CZ ARG A 676 -7.773 16.592 -11.537 1.00 42.01 C ATOM 1249 NH1 ARG A 676 -8.094 15.710 -10.602 1.00 24.13 N ATOM 1250 NH2 ARG A 676 -8.682 17.462 -11.962 1.00 62.42 N ATOM 0 H ARG A 676 -3.687 11.444 -9.542 1.00 15.52 H new ATOM 0 HA ARG A 676 -5.520 12.469 -10.266 1.00 35.12 H new ATOM 0 HB2 ARG A 676 -3.754 13.963 -11.359 1.00 30.33 H new ATOM 0 HB3 ARG A 676 -4.027 13.073 -12.843 1.00 30.33 H new ATOM 0 HG2 ARG A 676 -5.772 14.390 -13.327 1.00 40.03 H new ATOM 0 HG3 ARG A 676 -6.593 13.862 -11.872 1.00 40.03 H new ATOM 0 HD2 ARG A 676 -5.477 15.611 -10.553 1.00 35.33 H new ATOM 0 HD3 ARG A 676 -4.522 16.093 -11.941 1.00 35.33 H new ATOM 0 HE ARG A 676 -6.335 17.300 -12.767 1.00 64.42 H new ATOM 0 HH11 ARG A 676 -7.399 15.040 -10.273 1.00 24.13 H new ATOM 0 HH12 ARG A 676 -9.036 15.701 -10.211 1.00 24.13 H new ATOM 0 HH21 ARG A 676 -8.439 18.143 -12.682 1.00 62.42 H new ATOM 0 HH22 ARG A 676 -9.623 17.450 -11.569 1.00 62.42 H new ATOM 1264 N LYS A 677 -5.888 9.981 -11.476 1.00 22.41 N ATOM 1265 CA LYS A 677 -6.633 8.964 -12.209 1.00 21.40 C ATOM 1266 C LYS A 677 -7.166 7.892 -11.264 1.00 0.12 C ATOM 1267 O LYS A 677 -6.612 7.669 -10.187 1.00 34.50 O ATOM 1268 CB LYS A 677 -5.745 8.323 -13.277 1.00 71.31 C ATOM 1269 CG LYS A 677 -6.522 7.562 -14.338 1.00 43.33 C ATOM 1270 CD LYS A 677 -6.289 6.064 -14.234 1.00 42.33 C ATOM 1271 CE LYS A 677 -6.427 5.383 -15.587 1.00 13.24 C ATOM 1272 NZ LYS A 677 -5.968 3.967 -15.545 1.00 3.23 N ATOM 0 H LYS A 677 -5.545 9.677 -10.565 1.00 22.41 H new ATOM 0 HA LYS A 677 -7.481 9.449 -12.693 1.00 21.40 H new ATOM 0 HB2 LYS A 677 -5.153 9.101 -13.760 1.00 71.31 H new ATOM 0 HB3 LYS A 677 -5.044 7.642 -12.794 1.00 71.31 H new ATOM 0 HG2 LYS A 677 -7.586 7.774 -14.233 1.00 43.33 H new ATOM 0 HG3 LYS A 677 -6.224 7.909 -15.327 1.00 43.33 H new ATOM 0 HD2 LYS A 677 -5.294 5.877 -13.831 1.00 42.33 H new ATOM 0 HD3 LYS A 677 -7.003 5.631 -13.533 1.00 42.33 H new ATOM 0 HE2 LYS A 677 -7.469 5.418 -15.906 1.00 13.24 H new ATOM 0 HE3 LYS A 677 -5.847 5.931 -16.330 1.00 13.24 H new ATOM 0 HZ1 LYS A 677 -6.078 3.538 -16.486 1.00 3.23 H new ATOM 0 HZ2 LYS A 677 -4.967 3.935 -15.265 1.00 3.23 H new ATOM 0 HZ3 LYS A 677 -6.538 3.438 -14.855 1.00 3.23 H new ATOM 1286 N LYS A 678 -8.241 7.228 -11.675 1.00 0.33 N ATOM 1287 CA LYS A 678 -8.847 6.177 -10.867 1.00 10.53 C ATOM 1288 C LYS A 678 -8.544 4.801 -11.449 1.00 34.31 C ATOM 1289 O LYS A 678 -7.851 4.014 -10.806 1.00 20.14 O ATOM 1290 CB LYS A 678 -10.361 6.383 -10.776 1.00 63.14 C ATOM 1291 CG LYS A 678 -10.791 7.223 -9.586 1.00 22.42 C ATOM 1292 CD LYS A 678 -11.958 6.588 -8.849 1.00 20.44 C ATOM 1293 CE LYS A 678 -12.432 7.461 -7.697 1.00 40.24 C ATOM 1294 NZ LYS A 678 -13.288 6.704 -6.742 1.00 14.31 N ATOM 0 H LYS A 678 -8.711 7.400 -12.564 1.00 0.33 H new ATOM 0 HA LYS A 678 -8.419 6.231 -9.866 1.00 10.53 H new ATOM 0 HB2 LYS A 678 -10.710 6.860 -11.692 1.00 63.14 H new ATOM 0 HB3 LYS A 678 -10.849 5.410 -10.718 1.00 63.14 H new ATOM 0 HG2 LYS A 678 -9.951 7.345 -8.903 1.00 22.42 H new ATOM 0 HG3 LYS A 678 -11.073 8.220 -9.926 1.00 22.42 H new ATOM 0 HD2 LYS A 678 -12.781 6.422 -9.544 1.00 20.44 H new ATOM 0 HD3 LYS A 678 -11.661 5.611 -8.468 1.00 20.44 H new ATOM 0 HE2 LYS A 678 -11.568 7.865 -7.169 1.00 40.24 H new ATOM 0 HE3 LYS A 678 -12.991 8.310 -8.091 1.00 40.24 H new ATOM 0 HZ1 LYS A 678 -13.590 7.334 -5.972 1.00 14.31 H new ATOM 0 HZ2 LYS A 678 -14.125 6.340 -7.240 1.00 14.31 H new ATOM 0 HZ3 LYS A 678 -12.747 5.909 -6.346 1.00 14.31 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.869 3.856 -2.554 1.00 44.31 N ATOM 1310 CA THR B 389 15.433 4.063 -2.696 1.00 12.11 C ATOM 1311 C THR B 389 14.651 2.858 -2.184 1.00 64.24 C ATOM 1312 O THR B 389 15.226 1.932 -1.611 1.00 11.42 O ATOM 1313 CB THR B 389 15.046 4.327 -4.162 1.00 53.25 C ATOM 1314 OG1 THR B 389 16.220 4.358 -4.982 1.00 34.25 O ATOM 1315 CG2 THR B 389 14.293 5.643 -4.296 1.00 21.32 C ATOM 0 HA THR B 389 15.179 4.938 -2.098 1.00 12.11 H new ATOM 0 HB THR B 389 14.394 3.518 -4.492 1.00 53.25 H new ATOM 0 HG1 THR B 389 17.017 4.357 -4.412 1.00 34.25 H new ATOM 0 HG21 THR B 389 14.030 5.807 -5.341 1.00 21.32 H new ATOM 0 HG22 THR B 389 13.384 5.605 -3.695 1.00 21.32 H new ATOM 0 HG23 THR B 389 14.924 6.461 -3.948 1.00 21.32 H new ATOM 1323 N TRP B 390 13.341 2.876 -2.396 1.00 52.24 N ATOM 1324 CA TRP B 390 12.481 1.783 -1.957 1.00 0.24 C ATOM 1325 C TRP B 390 12.291 0.759 -3.070 1.00 30.52 C ATOM 1326 O TRP B 390 12.424 1.079 -4.250 1.00 50.55 O ATOM 1327 CB TRP B 390 11.122 2.325 -1.508 1.00 31.14 C ATOM 1328 CG TRP B 390 11.094 2.739 -0.068 1.00 3.53 C ATOM 1329 CD1 TRP B 390 11.697 3.836 0.481 1.00 52.00 C ATOM 1330 CD2 TRP B 390 10.431 2.064 1.006 1.00 64.11 C ATOM 1331 NE1 TRP B 390 11.449 3.882 1.831 1.00 30.25 N ATOM 1332 CE2 TRP B 390 10.674 2.806 2.178 1.00 13.34 C ATOM 1333 CE3 TRP B 390 9.655 0.905 1.091 1.00 22.04 C ATOM 1334 CZ2 TRP B 390 10.168 2.425 3.418 1.00 41.30 C ATOM 1335 CZ3 TRP B 390 9.155 0.528 2.323 1.00 55.33 C ATOM 1336 CH2 TRP B 390 9.412 1.286 3.473 1.00 44.13 C ATOM 0 H TRP B 390 12.850 3.635 -2.869 1.00 52.24 H new ATOM 0 HA TRP B 390 12.964 1.290 -1.114 1.00 0.24 H new ATOM 0 HB2 TRP B 390 10.857 3.180 -2.130 1.00 31.14 H new ATOM 0 HB3 TRP B 390 10.362 1.562 -1.674 1.00 31.14 H new ATOM 0 HD1 TRP B 390 12.282 4.560 -0.066 1.00 52.00 H new ATOM 0 HE1 TRP B 390 11.787 4.600 2.472 1.00 30.25 H new ATOM 0 HE3 TRP B 390 9.450 0.315 0.210 1.00 22.04 H new ATOM 0 HZ2 TRP B 390 10.365 3.008 4.305 1.00 41.30 H new ATOM 0 HZ3 TRP B 390 8.555 -0.367 2.401 1.00 55.33 H new ATOM 0 HH2 TRP B 390 9.006 0.965 4.421 1.00 44.13 H new ATOM 1347 N ARG B 391 11.979 -0.475 -2.685 1.00 11.34 N ATOM 1348 CA ARG B 391 11.771 -1.547 -3.652 1.00 24.14 C ATOM 1349 C ARG B 391 10.414 -2.210 -3.445 1.00 34.10 C ATOM 1350 O ARG B 391 9.811 -2.096 -2.376 1.00 75.44 O ATOM 1351 CB ARG B 391 12.884 -2.590 -3.534 1.00 15.12 C ATOM 1352 CG ARG B 391 12.909 -3.305 -2.193 1.00 34.32 C ATOM 1353 CD ARG B 391 14.298 -3.836 -1.870 1.00 13.32 C ATOM 1354 NE ARG B 391 14.821 -4.685 -2.936 1.00 70.24 N ATOM 1355 CZ ARG B 391 15.950 -5.376 -2.837 1.00 62.55 C ATOM 1356 NH1 ARG B 391 16.671 -5.320 -1.726 1.00 22.45 N ATOM 1357 NH2 ARG B 391 16.361 -6.127 -3.851 1.00 72.43 N ATOM 0 H ARG B 391 11.865 -0.757 -1.711 1.00 11.34 H new ATOM 0 HA ARG B 391 11.794 -1.112 -4.651 1.00 24.14 H new ATOM 0 HB2 ARG B 391 12.765 -3.328 -4.327 1.00 15.12 H new ATOM 0 HB3 ARG B 391 13.846 -2.103 -3.694 1.00 15.12 H new ATOM 0 HG2 ARG B 391 12.589 -2.620 -1.408 1.00 34.32 H new ATOM 0 HG3 ARG B 391 12.197 -4.130 -2.206 1.00 34.32 H new ATOM 0 HD2 ARG B 391 14.977 -2.999 -1.707 1.00 13.32 H new ATOM 0 HD3 ARG B 391 14.262 -4.403 -0.940 1.00 13.32 H new ATOM 0 HE ARG B 391 14.290 -4.751 -3.804 1.00 70.24 H new ATOM 0 HH11 ARG B 391 16.359 -4.745 -0.944 1.00 22.45 H new ATOM 0 HH12 ARG B 391 17.538 -5.852 -1.653 1.00 22.45 H new ATOM 0 HH21 ARG B 391 15.809 -6.174 -4.708 1.00 72.43 H new ATOM 0 HH22 ARG B 391 17.229 -6.658 -3.774 1.00 72.43 H new ATOM 1371 N VAL B 392 9.936 -2.903 -4.474 1.00 34.44 N ATOM 1372 CA VAL B 392 8.650 -3.586 -4.405 1.00 74.12 C ATOM 1373 C VAL B 392 8.774 -5.039 -4.847 1.00 75.11 C ATOM 1374 O VAL B 392 9.276 -5.327 -5.933 1.00 72.11 O ATOM 1375 CB VAL B 392 7.594 -2.884 -5.280 1.00 1.34 C ATOM 1376 CG1 VAL B 392 8.059 -2.817 -6.727 1.00 13.20 C ATOM 1377 CG2 VAL B 392 6.255 -3.596 -5.173 1.00 71.24 C ATOM 0 H VAL B 392 10.421 -3.006 -5.366 1.00 34.44 H new ATOM 0 HA VAL B 392 8.330 -3.552 -3.364 1.00 74.12 H new ATOM 0 HB VAL B 392 7.466 -1.864 -4.917 1.00 1.34 H new ATOM 0 HG11 VAL B 392 7.301 -2.318 -7.330 1.00 13.20 H new ATOM 0 HG12 VAL B 392 8.993 -2.258 -6.783 1.00 13.20 H new ATOM 0 HG13 VAL B 392 8.217 -3.827 -7.106 1.00 13.20 H new ATOM 0 HG21 VAL B 392 5.521 -3.087 -5.797 1.00 71.24 H new ATOM 0 HG22 VAL B 392 6.364 -4.627 -5.509 1.00 71.24 H new ATOM 0 HG23 VAL B 392 5.919 -3.585 -4.136 1.00 71.24 H new ATOM 1387 N GLN B 393 8.313 -5.952 -3.997 1.00 22.30 N ATOM 1388 CA GLN B 393 8.373 -7.377 -4.301 1.00 24.12 C ATOM 1389 C GLN B 393 7.086 -8.078 -3.879 1.00 43.11 C ATOM 1390 O GLN B 393 6.918 -8.439 -2.714 1.00 34.15 O ATOM 1391 CB GLN B 393 9.571 -8.019 -3.600 1.00 65.32 C ATOM 1392 CG GLN B 393 10.904 -7.389 -3.974 1.00 61.31 C ATOM 1393 CD GLN B 393 11.928 -7.487 -2.861 1.00 5.14 C ATOM 1394 OE1 GLN B 393 12.957 -8.148 -3.004 1.00 32.30 O ATOM 1395 NE2 GLN B 393 11.652 -6.827 -1.742 1.00 14.32 N ATOM 0 H GLN B 393 7.894 -5.730 -3.094 1.00 22.30 H new ATOM 0 HA GLN B 393 8.489 -7.489 -5.379 1.00 24.12 H new ATOM 0 HB2 GLN B 393 9.433 -7.944 -2.521 1.00 65.32 H new ATOM 0 HB3 GLN B 393 9.599 -9.081 -3.845 1.00 65.32 H new ATOM 0 HG2 GLN B 393 11.295 -7.878 -4.866 1.00 61.31 H new ATOM 0 HG3 GLN B 393 10.748 -6.340 -4.227 1.00 61.31 H new ATOM 0 HE21 GLN B 393 10.787 -6.291 -1.666 1.00 14.32 H new ATOM 0 HE22 GLN B 393 12.305 -6.856 -0.959 1.00 14.32 H new ATOM 1404 N ARG B 394 6.181 -8.268 -4.833 1.00 53.14 N ATOM 1405 CA ARG B 394 4.909 -8.925 -4.559 1.00 71.02 C ATOM 1406 C ARG B 394 5.122 -10.387 -4.175 1.00 43.53 C ATOM 1407 O ARG B 394 6.246 -10.887 -4.202 1.00 4.03 O ATOM 1408 CB ARG B 394 3.992 -8.837 -5.781 1.00 13.33 C ATOM 1409 CG ARG B 394 4.681 -9.197 -7.087 1.00 72.22 C ATOM 1410 CD ARG B 394 4.776 -7.998 -8.016 1.00 11.20 C ATOM 1411 NE ARG B 394 3.776 -8.048 -9.080 1.00 73.35 N ATOM 1412 CZ ARG B 394 3.645 -7.110 -10.011 1.00 70.41 C ATOM 1413 NH1 ARG B 394 4.447 -6.054 -10.011 1.00 21.35 N ATOM 1414 NH2 ARG B 394 2.712 -7.228 -10.947 1.00 53.21 N ATOM 0 H ARG B 394 6.305 -7.976 -5.803 1.00 53.14 H new ATOM 0 HA ARG B 394 4.438 -8.412 -3.720 1.00 71.02 H new ATOM 0 HB2 ARG B 394 3.140 -9.501 -5.634 1.00 13.33 H new ATOM 0 HB3 ARG B 394 3.597 -7.824 -5.856 1.00 13.33 H new ATOM 0 HG2 ARG B 394 5.681 -9.578 -6.879 1.00 72.22 H new ATOM 0 HG3 ARG B 394 4.131 -9.998 -7.581 1.00 72.22 H new ATOM 0 HD2 ARG B 394 4.646 -7.082 -7.440 1.00 11.20 H new ATOM 0 HD3 ARG B 394 5.772 -7.959 -8.457 1.00 11.20 H new ATOM 0 HE ARG B 394 3.143 -8.848 -9.109 1.00 73.35 H new ATOM 0 HH11 ARG B 394 5.167 -5.960 -9.295 1.00 21.35 H new ATOM 0 HH12 ARG B 394 4.344 -5.335 -10.727 1.00 21.35 H new ATOM 0 HH21 ARG B 394 2.094 -8.040 -10.952 1.00 53.21 H new ATOM 0 HH22 ARG B 394 2.612 -6.507 -11.662 1.00 53.21 H new ATOM 1428 N SER B 395 4.036 -11.064 -3.818 1.00 41.23 N ATOM 1429 CA SER B 395 4.106 -12.466 -3.425 1.00 72.44 C ATOM 1430 C SER B 395 2.976 -13.267 -4.066 1.00 12.13 C ATOM 1431 O SER B 395 2.184 -12.731 -4.840 1.00 73.33 O ATOM 1432 CB SER B 395 4.036 -12.595 -1.902 1.00 13.24 C ATOM 1433 OG SER B 395 4.669 -13.783 -1.461 1.00 25.50 O ATOM 0 H SER B 395 3.098 -10.665 -3.793 1.00 41.23 H new ATOM 0 HA SER B 395 5.057 -12.868 -3.774 1.00 72.44 H new ATOM 0 HB2 SER B 395 4.513 -11.731 -1.439 1.00 13.24 H new ATOM 0 HB3 SER B 395 2.994 -12.594 -1.581 1.00 13.24 H new ATOM 0 HG SER B 395 4.612 -13.841 -0.484 1.00 25.50 H new ATOM 1439 N GLN B 396 2.910 -14.553 -3.737 1.00 50.10 N ATOM 1440 CA GLN B 396 1.878 -15.428 -4.281 1.00 61.41 C ATOM 1441 C GLN B 396 0.490 -14.972 -3.842 1.00 61.44 C ATOM 1442 O GLN B 396 -0.508 -15.282 -4.490 1.00 32.33 O ATOM 1443 CB GLN B 396 2.118 -16.872 -3.836 1.00 72.24 C ATOM 1444 CG GLN B 396 1.937 -17.086 -2.341 1.00 64.23 C ATOM 1445 CD GLN B 396 3.059 -17.901 -1.730 1.00 22.14 C ATOM 1446 OE1 GLN B 396 3.774 -18.619 -2.430 1.00 23.01 O ATOM 1447 NE2 GLN B 396 3.220 -17.795 -0.415 1.00 52.23 N ATOM 0 H GLN B 396 3.558 -15.012 -3.097 1.00 50.10 H new ATOM 0 HA GLN B 396 1.930 -15.377 -5.369 1.00 61.41 H new ATOM 0 HB2 GLN B 396 1.433 -17.528 -4.374 1.00 72.24 H new ATOM 0 HB3 GLN B 396 3.129 -17.167 -4.117 1.00 72.24 H new ATOM 0 HG2 GLN B 396 1.883 -16.118 -1.843 1.00 64.23 H new ATOM 0 HG3 GLN B 396 0.987 -17.590 -2.162 1.00 64.23 H new ATOM 0 HE21 GLN B 396 2.605 -17.188 0.127 1.00 52.23 H new ATOM 0 HE22 GLN B 396 3.959 -18.320 0.052 1.00 52.23 H new ATOM 1456 N ASN B 397 0.437 -14.233 -2.738 1.00 63.54 N ATOM 1457 CA ASN B 397 -0.828 -13.735 -2.213 1.00 34.02 C ATOM 1458 C ASN B 397 -1.682 -13.136 -3.326 1.00 64.25 C ATOM 1459 O ASN B 397 -1.201 -12.842 -4.421 1.00 72.02 O ATOM 1460 CB ASN B 397 -0.576 -12.687 -1.127 1.00 51.34 C ATOM 1461 CG ASN B 397 -0.919 -13.197 0.259 1.00 15.51 C ATOM 1462 OD1 ASN B 397 -1.709 -12.586 0.979 1.00 13.02 O ATOM 1463 ND2 ASN B 397 -0.324 -14.321 0.641 1.00 54.23 N ATOM 0 H ASN B 397 1.255 -13.966 -2.191 1.00 63.54 H new ATOM 0 HA ASN B 397 -1.368 -14.576 -1.779 1.00 34.02 H new ATOM 0 HB2 ASN B 397 0.472 -12.387 -1.152 1.00 51.34 H new ATOM 0 HB3 ASN B 397 -1.168 -11.797 -1.340 1.00 51.34 H new ATOM 0 HD21 ASN B 397 -0.515 -14.711 1.564 1.00 54.23 H new ATOM 0 HD22 ASN B 397 0.324 -14.794 0.011 1.00 54.23 H new ATOM 1470 N PRO B 398 -2.979 -12.950 -3.043 1.00 15.13 N ATOM 1471 CA PRO B 398 -3.927 -12.383 -4.007 1.00 12.24 C ATOM 1472 C PRO B 398 -3.671 -10.902 -4.269 1.00 10.12 C ATOM 1473 O PRO B 398 -4.144 -10.346 -5.261 1.00 24.43 O ATOM 1474 CB PRO B 398 -5.285 -12.578 -3.326 1.00 61.24 C ATOM 1475 CG PRO B 398 -4.974 -12.631 -1.870 1.00 74.04 C ATOM 1476 CD PRO B 398 -3.621 -13.278 -1.758 1.00 51.34 C ATOM 0 HA PRO B 398 -3.851 -12.862 -4.983 1.00 12.24 H new ATOM 0 HB2 PRO B 398 -5.965 -11.758 -3.556 1.00 61.24 H new ATOM 0 HB3 PRO B 398 -5.768 -13.496 -3.661 1.00 61.24 H new ATOM 0 HG2 PRO B 398 -4.965 -11.631 -1.436 1.00 74.04 H new ATOM 0 HG3 PRO B 398 -5.727 -13.206 -1.331 1.00 74.04 H new ATOM 0 HD2 PRO B 398 -3.055 -12.883 -0.914 1.00 51.34 H new ATOM 0 HD3 PRO B 398 -3.701 -14.355 -1.612 1.00 51.34 H new ATOM 1484 N LEU B 399 -2.921 -10.269 -3.374 1.00 5.30 N ATOM 1485 CA LEU B 399 -2.601 -8.852 -3.510 1.00 33.24 C ATOM 1486 C LEU B 399 -1.675 -8.393 -2.387 1.00 54.02 C ATOM 1487 O LEU B 399 -2.002 -7.476 -1.634 1.00 73.03 O ATOM 1488 CB LEU B 399 -3.883 -8.017 -3.503 1.00 22.02 C ATOM 1489 CG LEU B 399 -3.984 -6.934 -4.577 1.00 44.21 C ATOM 1490 CD1 LEU B 399 -2.670 -6.176 -4.697 1.00 60.44 C ATOM 1491 CD2 LEU B 399 -4.373 -7.545 -5.916 1.00 51.10 C ATOM 0 H LEU B 399 -2.523 -10.714 -2.547 1.00 5.30 H new ATOM 0 HA LEU B 399 -2.087 -8.710 -4.461 1.00 33.24 H new ATOM 0 HB2 LEU B 399 -4.732 -8.691 -3.614 1.00 22.02 H new ATOM 0 HB3 LEU B 399 -3.978 -7.542 -2.526 1.00 22.02 H new ATOM 0 HG LEU B 399 -4.761 -6.229 -4.282 1.00 44.21 H new ATOM 0 HD11 LEU B 399 -2.761 -5.409 -5.466 1.00 60.44 H new ATOM 0 HD12 LEU B 399 -2.433 -5.706 -3.743 1.00 60.44 H new ATOM 0 HD13 LEU B 399 -1.874 -6.869 -4.968 1.00 60.44 H new ATOM 0 HD21 LEU B 399 -4.440 -6.759 -6.669 1.00 51.10 H new ATOM 0 HD22 LEU B 399 -3.619 -8.272 -6.217 1.00 51.10 H new ATOM 0 HD23 LEU B 399 -5.339 -8.041 -5.823 1.00 51.10 H new ATOM 1503 N LYS B 400 -0.517 -9.035 -2.283 1.00 74.31 N ATOM 1504 CA LYS B 400 0.459 -8.692 -1.256 1.00 4.32 C ATOM 1505 C LYS B 400 1.665 -7.984 -1.866 1.00 60.32 C ATOM 1506 O LYS B 400 2.255 -8.467 -2.833 1.00 42.11 O ATOM 1507 CB LYS B 400 0.914 -9.951 -0.514 1.00 64.13 C ATOM 1508 CG LYS B 400 1.944 -9.680 0.569 1.00 13.01 C ATOM 1509 CD LYS B 400 2.655 -10.953 0.994 1.00 71.31 C ATOM 1510 CE LYS B 400 1.871 -11.701 2.062 1.00 44.15 C ATOM 1511 NZ LYS B 400 2.761 -12.512 2.938 1.00 63.14 N ATOM 0 H LYS B 400 -0.231 -9.797 -2.898 1.00 74.31 H new ATOM 0 HA LYS B 400 -0.018 -8.014 -0.549 1.00 4.32 H new ATOM 0 HB2 LYS B 400 0.045 -10.432 -0.065 1.00 64.13 H new ATOM 0 HB3 LYS B 400 1.332 -10.655 -1.233 1.00 64.13 H new ATOM 0 HG2 LYS B 400 2.675 -8.958 0.204 1.00 13.01 H new ATOM 0 HG3 LYS B 400 1.455 -9.230 1.433 1.00 13.01 H new ATOM 0 HD2 LYS B 400 2.797 -11.598 0.127 1.00 71.31 H new ATOM 0 HD3 LYS B 400 3.646 -10.707 1.374 1.00 71.31 H new ATOM 0 HE2 LYS B 400 1.315 -10.988 2.670 1.00 44.15 H new ATOM 0 HE3 LYS B 400 1.139 -12.353 1.585 1.00 44.15 H new ATOM 0 HZ1 LYS B 400 2.189 -13.006 3.652 1.00 63.14 H new ATOM 0 HZ2 LYS B 400 3.273 -13.210 2.362 1.00 63.14 H new ATOM 0 HZ3 LYS B 400 3.444 -11.887 3.413 1.00 63.14 H new ATOM 1525 N ILE B 401 2.026 -6.841 -1.294 1.00 51.24 N ATOM 1526 CA ILE B 401 3.163 -6.070 -1.780 1.00 44.01 C ATOM 1527 C ILE B 401 4.182 -5.833 -0.671 1.00 24.42 C ATOM 1528 O ILE B 401 3.889 -5.171 0.325 1.00 41.34 O ATOM 1529 CB ILE B 401 2.719 -4.710 -2.352 1.00 41.12 C ATOM 1530 CG1 ILE B 401 1.360 -4.843 -3.043 1.00 13.45 C ATOM 1531 CG2 ILE B 401 3.763 -4.176 -3.321 1.00 74.53 C ATOM 1532 CD1 ILE B 401 0.189 -4.535 -2.137 1.00 33.33 C ATOM 0 H ILE B 401 1.548 -6.428 -0.493 1.00 51.24 H new ATOM 0 HA ILE B 401 3.624 -6.657 -2.575 1.00 44.01 H new ATOM 0 HB ILE B 401 2.620 -4.001 -1.530 1.00 41.12 H new ATOM 0 HG12 ILE B 401 1.331 -4.172 -3.902 1.00 13.45 H new ATOM 0 HG13 ILE B 401 1.255 -5.858 -3.427 1.00 13.45 H new ATOM 0 HG21 ILE B 401 3.435 -3.215 -3.716 1.00 74.53 H new ATOM 0 HG22 ILE B 401 4.712 -4.049 -2.800 1.00 74.53 H new ATOM 0 HG23 ILE B 401 3.892 -4.881 -4.142 1.00 74.53 H new ATOM 0 HD11 ILE B 401 -0.741 -4.649 -2.693 1.00 33.33 H new ATOM 0 HD12 ILE B 401 0.193 -5.222 -1.291 1.00 33.33 H new ATOM 0 HD13 ILE B 401 0.270 -3.511 -1.773 1.00 33.33 H new ATOM 1544 N ARG B 402 5.382 -6.379 -0.850 1.00 15.41 N ATOM 1545 CA ARG B 402 6.445 -6.226 0.135 1.00 21.34 C ATOM 1546 C ARG B 402 7.340 -5.039 -0.210 1.00 34.24 C ATOM 1547 O ARG B 402 8.240 -5.148 -1.043 1.00 63.32 O ATOM 1548 CB ARG B 402 7.282 -7.504 0.215 1.00 54.22 C ATOM 1549 CG ARG B 402 8.336 -7.474 1.309 1.00 65.32 C ATOM 1550 CD ARG B 402 8.086 -8.552 2.353 1.00 61.42 C ATOM 1551 NE ARG B 402 9.241 -9.431 2.519 1.00 3.22 N ATOM 1552 CZ ARG B 402 9.511 -10.452 1.713 1.00 54.34 C ATOM 1553 NH1 ARG B 402 8.712 -10.720 0.689 1.00 71.21 N ATOM 1554 NH2 ARG B 402 10.581 -11.205 1.930 1.00 70.22 N ATOM 0 H ARG B 402 5.641 -6.931 -1.668 1.00 15.41 H new ATOM 0 HA ARG B 402 5.984 -6.040 1.105 1.00 21.34 H new ATOM 0 HB2 ARG B 402 6.619 -8.352 0.384 1.00 54.22 H new ATOM 0 HB3 ARG B 402 7.771 -7.668 -0.745 1.00 54.22 H new ATOM 0 HG2 ARG B 402 9.323 -7.614 0.869 1.00 65.32 H new ATOM 0 HG3 ARG B 402 8.337 -6.495 1.788 1.00 65.32 H new ATOM 0 HD2 ARG B 402 7.847 -8.084 3.308 1.00 61.42 H new ATOM 0 HD3 ARG B 402 7.218 -9.144 2.062 1.00 61.42 H new ATOM 0 HE ARG B 402 9.875 -9.251 3.297 1.00 3.22 H new ATOM 0 HH11 ARG B 402 7.889 -10.142 0.519 1.00 71.21 H new ATOM 0 HH12 ARG B 402 8.921 -11.504 0.071 1.00 71.21 H new ATOM 0 HH21 ARG B 402 11.198 -11.000 2.716 1.00 70.22 H new ATOM 0 HH22 ARG B 402 10.787 -11.989 1.311 1.00 70.22 H new ATOM 1568 N LEU B 403 7.086 -3.907 0.436 1.00 3.14 N ATOM 1569 CA LEU B 403 7.868 -2.699 0.199 1.00 12.10 C ATOM 1570 C LEU B 403 8.949 -2.531 1.263 1.00 43.32 C ATOM 1571 O LEU B 403 8.694 -2.702 2.455 1.00 15.01 O ATOM 1572 CB LEU B 403 6.956 -1.471 0.185 1.00 71.21 C ATOM 1573 CG LEU B 403 6.019 -1.344 -1.016 1.00 72.15 C ATOM 1574 CD1 LEU B 403 6.687 -1.880 -2.273 1.00 5.11 C ATOM 1575 CD2 LEU B 403 4.711 -2.076 -0.753 1.00 13.23 C ATOM 0 H LEU B 403 6.344 -3.800 1.128 1.00 3.14 H new ATOM 0 HA LEU B 403 8.352 -2.796 -0.773 1.00 12.10 H new ATOM 0 HB2 LEU B 403 6.352 -1.482 1.092 1.00 71.21 H new ATOM 0 HB3 LEU B 403 7.581 -0.579 0.229 1.00 71.21 H new ATOM 0 HG LEU B 403 5.797 -0.288 -1.168 1.00 72.15 H new ATOM 0 HD11 LEU B 403 6.005 -1.781 -3.118 1.00 5.11 H new ATOM 0 HD12 LEU B 403 7.596 -1.312 -2.472 1.00 5.11 H new ATOM 0 HD13 LEU B 403 6.939 -2.931 -2.131 1.00 5.11 H new ATOM 0 HD21 LEU B 403 4.057 -1.974 -1.619 1.00 13.23 H new ATOM 0 HD22 LEU B 403 4.915 -3.132 -0.574 1.00 13.23 H new ATOM 0 HD23 LEU B 403 4.223 -1.647 0.122 1.00 13.23 H new ATOM 1587 N THR B 404 10.157 -2.193 0.823 1.00 42.23 N ATOM 1588 CA THR B 404 11.276 -2.001 1.737 1.00 62.33 C ATOM 1589 C THR B 404 12.162 -0.846 1.285 1.00 4.53 C ATOM 1590 O THR B 404 12.337 -0.616 0.089 1.00 1.41 O ATOM 1591 CB THR B 404 12.134 -3.276 1.851 1.00 71.55 C ATOM 1592 OG1 THR B 404 12.961 -3.416 0.690 1.00 74.31 O ATOM 1593 CG2 THR B 404 11.253 -4.508 2.004 1.00 45.14 C ATOM 0 H THR B 404 10.385 -2.047 -0.160 1.00 42.23 H new ATOM 0 HA THR B 404 10.850 -1.770 2.713 1.00 62.33 H new ATOM 0 HB THR B 404 12.764 -3.186 2.736 1.00 71.55 H new ATOM 0 HG1 THR B 404 13.904 -3.416 0.958 1.00 74.31 H new ATOM 0 HG21 THR B 404 11.880 -5.396 2.083 1.00 45.14 H new ATOM 0 HG22 THR B 404 10.646 -4.412 2.904 1.00 45.14 H new ATOM 0 HG23 THR B 404 10.602 -4.600 1.135 1.00 45.14 H new ATOM 1601 N ARG B 405 12.720 -0.122 2.251 1.00 73.11 N ATOM 1602 CA ARG B 405 13.588 1.010 1.952 1.00 4.52 C ATOM 1603 C ARG B 405 14.640 0.631 0.915 1.00 65.52 C ATOM 1604 O ARG B 405 15.790 0.350 1.256 1.00 52.41 O ATOM 1605 CB ARG B 405 14.271 1.509 3.227 1.00 34.43 C ATOM 1606 CG ARG B 405 13.435 2.503 4.016 1.00 33.33 C ATOM 1607 CD ARG B 405 14.173 2.994 5.251 1.00 4.35 C ATOM 1608 NE ARG B 405 15.562 3.340 4.958 1.00 12.21 N ATOM 1609 CZ ARG B 405 15.919 4.406 4.249 1.00 21.00 C ATOM 1610 NH1 ARG B 405 14.996 5.224 3.764 1.00 40.41 N ATOM 1611 NH2 ARG B 405 17.203 4.654 4.023 1.00 3.04 N ATOM 0 H ARG B 405 12.586 -0.300 3.246 1.00 73.11 H new ATOM 0 HA ARG B 405 12.970 1.809 1.542 1.00 4.52 H new ATOM 0 HB2 ARG B 405 14.502 0.655 3.864 1.00 34.43 H new ATOM 0 HB3 ARG B 405 15.220 1.975 2.962 1.00 34.43 H new ATOM 0 HG2 ARG B 405 13.181 3.352 3.381 1.00 33.33 H new ATOM 0 HG3 ARG B 405 12.496 2.036 4.313 1.00 33.33 H new ATOM 0 HD2 ARG B 405 13.660 3.866 5.657 1.00 4.35 H new ATOM 0 HD3 ARG B 405 14.146 2.222 6.020 1.00 4.35 H new ATOM 0 HE ARG B 405 16.297 2.731 5.317 1.00 12.21 H new ATOM 0 HH11 ARG B 405 14.008 5.036 3.934 1.00 40.41 H new ATOM 0 HH12 ARG B 405 15.274 6.041 3.220 1.00 40.41 H new ATOM 0 HH21 ARG B 405 17.917 4.026 4.393 1.00 3.04 H new ATOM 0 HH22 ARG B 405 17.476 5.472 3.479 1.00 3.04 H new TER 1625 ARG B 405