USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 395 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 400 LYS NZ :NH3+ -144:sc= 0.721 (180deg=0.369) USER MOD Set 2.1: A 635 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.2: A 639 SER OG : rot 91:sc= 1.11 USER MOD Set 3.1: A 607 CYS SG : rot -127:sc= 0.98 USER MOD Set 3.2: A 662 SER OG : rot 180:sc= 0.849 USER MOD Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 178:sc= -2.02 (180deg=-2.03) 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+ -126:sc= 0.611 (180deg=-0.254) USER MOD Single : A 617 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 619 SER OG : rot 27:sc= -2.34! USER MOD Single : A 623 ASN : amide:sc= -0.753 K(o=-0.75,f=-1.7!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -151:sc= -0.587 (180deg=-1.08) USER MOD Single : A 638 GLN : amide:sc= -4.83! K(o=-4.8!,f=-1.9) 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= -0.312 X(o=-0.31,f=0) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.42) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 663 THR OG1 : rot 140:sc= -1.23 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot 75:sc= 0.13 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 -5:sc= 0.793 USER MOD Single : B 393 GLN : amide:sc=-0.00676 X(o=-0.0068,f=0) USER MOD Single : B 396 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.8!) USER MOD Single : B 397 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.3!) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -23.615 7.122 17.082 1.00 2.41 N ATOM 2 CA GLU A 600 -22.811 7.963 16.203 1.00 42.13 C ATOM 3 C GLU A 600 -21.559 7.224 15.739 1.00 70.11 C ATOM 4 O GLU A 600 -20.934 6.496 16.510 1.00 21.42 O ATOM 5 CB GLU A 600 -22.418 9.257 16.917 1.00 43.41 C ATOM 6 CG GLU A 600 -23.593 10.177 17.202 1.00 74.14 C ATOM 7 CD GLU A 600 -23.778 11.236 16.133 1.00 50.30 C ATOM 8 OE1 GLU A 600 -22.776 11.874 15.750 1.00 62.13 O ATOM 9 OE2 GLU A 600 -24.926 11.426 15.679 1.00 12.55 O ATOM 0 HA GLU A 600 -23.412 8.209 15.328 1.00 42.13 H new ATOM 0 HB2 GLU A 600 -21.926 9.008 17.857 1.00 43.41 H new ATOM 0 HB3 GLU A 600 -21.689 9.791 16.308 1.00 43.41 H new ATOM 0 HG2 GLU A 600 -24.504 9.583 17.281 1.00 74.14 H new ATOM 0 HG3 GLU A 600 -23.444 10.662 18.167 1.00 74.14 H new ATOM 16 N SER A 601 -21.199 7.417 14.474 1.00 22.24 N ATOM 17 CA SER A 601 -20.024 6.765 13.906 1.00 4.23 C ATOM 18 C SER A 601 -19.301 7.697 12.938 1.00 53.21 C ATOM 19 O SER A 601 -19.754 7.914 11.814 1.00 14.04 O ATOM 20 CB SER A 601 -20.426 5.477 13.187 1.00 32.32 C ATOM 21 OG SER A 601 -20.146 4.339 13.983 1.00 23.23 O ATOM 0 H SER A 601 -21.703 8.019 13.823 1.00 22.24 H new ATOM 0 HA SER A 601 -19.345 6.519 14.723 1.00 4.23 H new ATOM 0 HB2 SER A 601 -21.490 5.506 12.950 1.00 32.32 H new ATOM 0 HB3 SER A 601 -19.891 5.403 12.240 1.00 32.32 H new ATOM 0 HG SER A 601 -20.414 3.529 13.501 1.00 23.23 H new ATOM 27 N GLU A 602 -18.175 8.246 13.383 1.00 31.51 N ATOM 28 CA GLU A 602 -17.390 9.154 12.557 1.00 41.04 C ATOM 29 C GLU A 602 -16.215 8.425 11.910 1.00 14.21 C ATOM 30 O GLU A 602 -15.131 8.988 11.756 1.00 13.21 O ATOM 31 CB GLU A 602 -16.877 10.328 13.395 1.00 34.33 C ATOM 32 CG GLU A 602 -17.934 10.933 14.304 1.00 25.21 C ATOM 33 CD GLU A 602 -17.682 12.400 14.593 1.00 73.12 C ATOM 34 OE1 GLU A 602 -17.675 13.200 13.634 1.00 53.23 O ATOM 35 OE2 GLU A 602 -17.494 12.749 15.777 1.00 61.24 O ATOM 0 H GLU A 602 -17.787 8.077 14.311 1.00 31.51 H new ATOM 0 HA GLU A 602 -18.037 9.536 11.767 1.00 41.04 H new ATOM 0 HB2 GLU A 602 -16.037 9.991 14.002 1.00 34.33 H new ATOM 0 HB3 GLU A 602 -16.497 11.102 12.728 1.00 34.33 H new ATOM 0 HG2 GLU A 602 -18.914 10.821 13.841 1.00 25.21 H new ATOM 0 HG3 GLU A 602 -17.960 10.380 15.243 1.00 25.21 H new ATOM 42 N GLU A 603 -16.439 7.170 11.535 1.00 11.15 N ATOM 43 CA GLU A 603 -15.400 6.363 10.908 1.00 41.33 C ATOM 44 C GLU A 603 -15.932 4.983 10.534 1.00 52.35 C ATOM 45 O GLU A 603 -15.243 3.977 10.696 1.00 75.54 O ATOM 46 CB GLU A 603 -14.198 6.222 11.844 1.00 21.30 C ATOM 47 CG GLU A 603 -12.859 6.262 11.126 1.00 32.22 C ATOM 48 CD GLU A 603 -11.949 7.355 11.650 1.00 3.53 C ATOM 49 OE1 GLU A 603 -11.675 7.364 12.869 1.00 2.33 O ATOM 50 OE2 GLU A 603 -11.509 8.201 10.844 1.00 74.14 O ATOM 0 H GLU A 603 -17.331 6.690 11.655 1.00 11.15 H new ATOM 0 HA GLU A 603 -15.084 6.870 9.996 1.00 41.33 H new ATOM 0 HB2 GLU A 603 -14.228 7.022 12.583 1.00 21.30 H new ATOM 0 HB3 GLU A 603 -14.281 5.281 12.389 1.00 21.30 H new ATOM 0 HG2 GLU A 603 -12.363 5.298 11.236 1.00 32.22 H new ATOM 0 HG3 GLU A 603 -13.027 6.414 10.060 1.00 32.22 H new ATOM 57 N GLU A 604 -17.164 4.946 10.035 1.00 52.33 N ATOM 58 CA GLU A 604 -17.790 3.690 9.640 1.00 62.41 C ATOM 59 C GLU A 604 -18.377 3.792 8.235 1.00 71.11 C ATOM 60 O GLU A 604 -17.987 3.051 7.332 1.00 23.42 O ATOM 61 CB GLU A 604 -18.886 3.305 10.636 1.00 72.33 C ATOM 62 CG GLU A 604 -18.960 1.813 10.914 1.00 61.24 C ATOM 63 CD GLU A 604 -19.134 0.992 9.651 1.00 72.23 C ATOM 64 OE1 GLU A 604 -20.123 1.224 8.924 1.00 71.31 O ATOM 65 OE2 GLU A 604 -18.281 0.117 9.390 1.00 15.23 O ATOM 0 H GLU A 604 -17.747 5.771 9.895 1.00 52.33 H new ATOM 0 HA GLU A 604 -17.022 2.916 9.639 1.00 62.41 H new ATOM 0 HB2 GLU A 604 -18.714 3.833 11.574 1.00 72.33 H new ATOM 0 HB3 GLU A 604 -19.849 3.643 10.252 1.00 72.33 H new ATOM 0 HG2 GLU A 604 -18.051 1.497 11.426 1.00 61.24 H new ATOM 0 HG3 GLU A 604 -19.792 1.614 11.590 1.00 61.24 H new ATOM 72 N ASP A 605 -19.316 4.715 8.058 1.00 32.31 N ATOM 73 CA ASP A 605 -19.956 4.916 6.764 1.00 74.50 C ATOM 74 C ASP A 605 -18.988 5.550 5.771 1.00 12.30 C ATOM 75 O ASP A 605 -19.022 5.252 4.577 1.00 61.22 O ATOM 76 CB ASP A 605 -21.199 5.795 6.917 1.00 74.53 C ATOM 77 CG ASP A 605 -21.998 5.895 5.633 1.00 74.00 C ATOM 78 OD1 ASP A 605 -22.517 4.856 5.174 1.00 65.04 O ATOM 79 OD2 ASP A 605 -22.106 7.014 5.087 1.00 41.22 O ATOM 0 H ASP A 605 -19.651 5.336 8.795 1.00 32.31 H new ATOM 0 HA ASP A 605 -20.255 3.941 6.379 1.00 74.50 H new ATOM 0 HB2 ASP A 605 -21.833 5.389 7.705 1.00 74.53 H new ATOM 0 HB3 ASP A 605 -20.898 6.794 7.233 1.00 74.53 H new ATOM 84 N LYS A 606 -18.128 6.430 6.272 1.00 64.42 N ATOM 85 CA LYS A 606 -17.149 7.108 5.429 1.00 24.21 C ATOM 86 C LYS A 606 -16.129 6.118 4.876 1.00 23.31 C ATOM 87 O LYS A 606 -15.599 6.306 3.780 1.00 41.34 O ATOM 88 CB LYS A 606 -16.434 8.203 6.224 1.00 24.12 C ATOM 89 CG LYS A 606 -16.242 9.493 5.445 1.00 11.03 C ATOM 90 CD LYS A 606 -17.016 10.641 6.070 1.00 12.32 C ATOM 91 CE LYS A 606 -16.858 11.923 5.266 1.00 20.42 C ATOM 92 NZ LYS A 606 -16.428 13.064 6.121 1.00 12.22 N ATOM 0 H LYS A 606 -18.089 6.691 7.257 1.00 64.42 H new ATOM 0 HA LYS A 606 -17.679 7.562 4.592 1.00 24.21 H new ATOM 0 HB2 LYS A 606 -17.005 8.416 7.128 1.00 24.12 H new ATOM 0 HB3 LYS A 606 -15.460 7.832 6.542 1.00 24.12 H new ATOM 0 HG2 LYS A 606 -15.182 9.744 5.410 1.00 11.03 H new ATOM 0 HG3 LYS A 606 -16.570 9.350 4.415 1.00 11.03 H new ATOM 0 HD2 LYS A 606 -18.072 10.378 6.133 1.00 12.32 H new ATOM 0 HD3 LYS A 606 -16.667 10.804 7.090 1.00 12.32 H new ATOM 0 HE2 LYS A 606 -16.126 11.767 4.474 1.00 20.42 H new ATOM 0 HE3 LYS A 606 -17.804 12.168 4.783 1.00 20.42 H new ATOM 0 HZ1 LYS A 606 -16.332 13.919 5.536 1.00 12.22 H new ATOM 0 HZ2 LYS A 606 -17.139 13.230 6.862 1.00 12.22 H new ATOM 0 HZ3 LYS A 606 -15.513 12.841 6.562 1.00 12.22 H new ATOM 106 N CYS A 607 -15.859 5.064 5.638 1.00 55.40 N ATOM 107 CA CYS A 607 -14.903 4.045 5.223 1.00 60.40 C ATOM 108 C CYS A 607 -15.600 2.926 4.454 1.00 5.32 C ATOM 109 O CYS A 607 -16.299 2.098 5.039 1.00 52.55 O ATOM 110 CB CYS A 607 -14.179 3.468 6.440 1.00 30.22 C ATOM 111 SG CYS A 607 -13.546 4.719 7.583 1.00 13.03 S ATOM 0 H CYS A 607 -16.289 4.893 6.547 1.00 55.40 H new ATOM 0 HA CYS A 607 -14.173 4.515 4.564 1.00 60.40 H new ATOM 0 HB2 CYS A 607 -14.862 2.812 6.979 1.00 30.22 H new ATOM 0 HB3 CYS A 607 -13.348 2.851 6.097 1.00 30.22 H new ATOM 0 HG CYS A 607 -12.283 4.505 7.805 1.00 13.03 H new ATOM 117 N LYS A 608 -15.406 2.910 3.140 1.00 72.34 N ATOM 118 CA LYS A 608 -16.015 1.895 2.289 1.00 73.20 C ATOM 119 C LYS A 608 -15.030 0.768 1.993 1.00 3.53 C ATOM 120 O LYS A 608 -13.813 0.948 2.045 1.00 43.34 O ATOM 121 CB LYS A 608 -16.499 2.520 0.979 1.00 10.51 C ATOM 122 CG LYS A 608 -17.734 3.388 1.140 1.00 52.54 C ATOM 123 CD LYS A 608 -17.376 4.787 1.615 1.00 71.52 C ATOM 124 CE LYS A 608 -18.243 5.842 0.947 1.00 11.04 C ATOM 125 NZ LYS A 608 -17.497 6.590 -0.103 1.00 33.12 N ATOM 0 H LYS A 608 -14.831 3.589 2.641 1.00 72.34 H new ATOM 0 HA LYS A 608 -16.869 1.477 2.822 1.00 73.20 H new ATOM 0 HB2 LYS A 608 -15.695 3.121 0.554 1.00 10.51 H new ATOM 0 HB3 LYS A 608 -16.714 1.725 0.265 1.00 10.51 H new ATOM 0 HG2 LYS A 608 -18.262 3.450 0.189 1.00 52.54 H new ATOM 0 HG3 LYS A 608 -18.415 2.924 1.853 1.00 52.54 H new ATOM 0 HD2 LYS A 608 -17.497 4.847 2.697 1.00 71.52 H new ATOM 0 HD3 LYS A 608 -16.326 4.988 1.400 1.00 71.52 H new ATOM 0 HE2 LYS A 608 -19.117 5.366 0.502 1.00 11.04 H new ATOM 0 HE3 LYS A 608 -18.609 6.540 1.699 1.00 11.04 H new ATOM 0 HZ1 LYS A 608 -18.123 7.300 -0.534 1.00 33.12 H new ATOM 0 HZ2 LYS A 608 -16.678 7.066 0.326 1.00 33.12 H new ATOM 0 HZ3 LYS A 608 -17.169 5.927 -0.834 1.00 33.12 H new ATOM 139 N PRO A 609 -15.564 -0.419 1.675 1.00 71.12 N ATOM 140 CA PRO A 609 -14.748 -1.597 1.363 1.00 0.40 C ATOM 141 C PRO A 609 -14.017 -1.459 0.032 1.00 10.22 C ATOM 142 O PRO A 609 -14.409 -0.665 -0.823 1.00 32.43 O ATOM 143 CB PRO A 609 -15.774 -2.731 1.295 1.00 71.22 C ATOM 144 CG PRO A 609 -17.057 -2.060 0.946 1.00 74.10 C ATOM 145 CD PRO A 609 -17.007 -0.705 1.594 1.00 3.24 C ATOM 0 HA PRO A 609 -13.964 -1.758 2.103 1.00 0.40 H new ATOM 0 HB2 PRO A 609 -15.497 -3.471 0.544 1.00 71.22 H new ATOM 0 HB3 PRO A 609 -15.848 -3.256 2.248 1.00 71.22 H new ATOM 0 HG2 PRO A 609 -17.169 -1.972 -0.135 1.00 74.10 H new ATOM 0 HG3 PRO A 609 -17.909 -2.635 1.309 1.00 74.10 H new ATOM 0 HD2 PRO A 609 -17.532 0.044 1.001 1.00 3.24 H new ATOM 0 HD3 PRO A 609 -17.471 -0.714 2.580 1.00 3.24 H new ATOM 153 N MET A 610 -12.953 -2.237 -0.137 1.00 21.10 N ATOM 154 CA MET A 610 -12.169 -2.203 -1.366 1.00 41.42 C ATOM 155 C MET A 610 -11.848 -3.614 -1.847 1.00 12.35 C ATOM 156 O MET A 610 -11.105 -4.348 -1.195 1.00 33.34 O ATOM 157 CB MET A 610 -10.872 -1.419 -1.147 1.00 15.15 C ATOM 158 CG MET A 610 -11.095 -0.014 -0.610 1.00 65.22 C ATOM 159 SD MET A 610 -11.534 1.161 -1.905 1.00 12.52 S ATOM 160 CE MET A 610 -9.996 1.249 -2.819 1.00 13.42 C ATOM 0 H MET A 610 -12.614 -2.899 0.561 1.00 21.10 H new ATOM 0 HA MET A 610 -12.763 -1.704 -2.132 1.00 41.42 H new ATOM 0 HB2 MET A 610 -10.238 -1.969 -0.452 1.00 15.15 H new ATOM 0 HB3 MET A 610 -10.331 -1.357 -2.091 1.00 15.15 H new ATOM 0 HG2 MET A 610 -11.887 -0.037 0.139 1.00 65.22 H new ATOM 0 HG3 MET A 610 -10.190 0.327 -0.107 1.00 65.22 H new ATOM 0 HE1 MET A 610 -10.119 1.912 -3.676 1.00 13.42 H new ATOM 0 HE2 MET A 610 -9.209 1.636 -2.171 1.00 13.42 H new ATOM 0 HE3 MET A 610 -9.722 0.253 -3.167 1.00 13.42 H new ATOM 170 N SER A 611 -12.414 -3.988 -2.989 1.00 53.45 N ATOM 171 CA SER A 611 -12.191 -5.313 -3.555 1.00 35.24 C ATOM 172 C SER A 611 -10.793 -5.421 -4.154 1.00 43.42 C ATOM 173 O SER A 611 -10.014 -4.468 -4.116 1.00 45.45 O ATOM 174 CB SER A 611 -13.241 -5.617 -4.625 1.00 74.50 C ATOM 175 OG SER A 611 -13.740 -6.937 -4.490 1.00 74.44 O ATOM 0 H SER A 611 -13.031 -3.392 -3.541 1.00 53.45 H new ATOM 0 HA SER A 611 -12.280 -6.043 -2.751 1.00 35.24 H new ATOM 0 HB2 SER A 611 -14.062 -4.905 -4.546 1.00 74.50 H new ATOM 0 HB3 SER A 611 -12.803 -5.490 -5.615 1.00 74.50 H new ATOM 0 HG SER A 611 -14.411 -7.106 -5.184 1.00 74.44 H new ATOM 181 N TYR A 612 -10.482 -6.587 -4.708 1.00 25.13 N ATOM 182 CA TYR A 612 -9.176 -6.821 -5.313 1.00 62.34 C ATOM 183 C TYR A 612 -8.966 -5.917 -6.524 1.00 50.45 C ATOM 184 O TYR A 612 -7.838 -5.553 -6.853 1.00 11.15 O ATOM 185 CB TYR A 612 -9.038 -8.287 -5.729 1.00 74.12 C ATOM 186 CG TYR A 612 -10.203 -8.797 -6.547 1.00 70.05 C ATOM 187 CD1 TYR A 612 -10.300 -8.514 -7.905 1.00 21.22 C ATOM 188 CD2 TYR A 612 -11.206 -9.561 -5.964 1.00 41.41 C ATOM 189 CE1 TYR A 612 -11.363 -8.977 -8.656 1.00 71.41 C ATOM 190 CE2 TYR A 612 -12.272 -10.029 -6.708 1.00 3.35 C ATOM 191 CZ TYR A 612 -12.346 -9.734 -8.053 1.00 50.43 C ATOM 192 OH TYR A 612 -13.406 -10.198 -8.799 1.00 3.33 O ATOM 0 H TYR A 612 -11.116 -7.385 -4.751 1.00 25.13 H new ATOM 0 HA TYR A 612 -8.414 -6.587 -4.570 1.00 62.34 H new ATOM 0 HB2 TYR A 612 -8.120 -8.408 -6.305 1.00 74.12 H new ATOM 0 HB3 TYR A 612 -8.936 -8.902 -4.835 1.00 74.12 H new ATOM 0 HD1 TYR A 612 -9.532 -7.922 -8.380 1.00 21.22 H new ATOM 0 HD2 TYR A 612 -11.152 -9.793 -4.911 1.00 41.41 H new ATOM 0 HE1 TYR A 612 -11.424 -8.748 -9.710 1.00 71.41 H new ATOM 0 HE2 TYR A 612 -13.043 -10.622 -6.239 1.00 3.35 H new ATOM 0 HH TYR A 612 -14.009 -10.715 -8.225 1.00 3.33 H new ATOM 202 N GLU A 613 -10.064 -5.557 -7.183 1.00 13.41 N ATOM 203 CA GLU A 613 -10.002 -4.695 -8.357 1.00 44.31 C ATOM 204 C GLU A 613 -9.248 -3.405 -8.045 1.00 71.25 C ATOM 205 O GLU A 613 -8.206 -3.125 -8.636 1.00 62.12 O ATOM 206 CB GLU A 613 -11.411 -4.368 -8.853 1.00 1.53 C ATOM 207 CG GLU A 613 -11.613 -4.635 -10.334 1.00 71.35 C ATOM 208 CD GLU A 613 -12.319 -3.495 -11.043 1.00 62.01 C ATOM 209 OE1 GLU A 613 -11.626 -2.562 -11.499 1.00 61.31 O ATOM 210 OE2 GLU A 613 -13.562 -3.537 -11.141 1.00 15.31 O ATOM 0 H GLU A 613 -11.006 -5.849 -6.923 1.00 13.41 H new ATOM 0 HA GLU A 613 -9.465 -5.230 -9.140 1.00 44.31 H new ATOM 0 HB2 GLU A 613 -12.132 -4.956 -8.285 1.00 1.53 H new ATOM 0 HB3 GLU A 613 -11.624 -3.319 -8.649 1.00 1.53 H new ATOM 0 HG2 GLU A 613 -10.644 -4.805 -10.804 1.00 71.35 H new ATOM 0 HG3 GLU A 613 -12.193 -5.550 -10.458 1.00 71.35 H new ATOM 217 N GLU A 614 -9.784 -2.624 -7.113 1.00 54.44 N ATOM 218 CA GLU A 614 -9.164 -1.363 -6.725 1.00 10.15 C ATOM 219 C GLU A 614 -7.847 -1.607 -5.993 1.00 21.41 C ATOM 220 O GLU A 614 -6.907 -0.819 -6.101 1.00 42.01 O ATOM 221 CB GLU A 614 -10.111 -0.555 -5.834 1.00 74.35 C ATOM 222 CG GLU A 614 -11.460 -0.277 -6.476 1.00 43.23 C ATOM 223 CD GLU A 614 -12.605 -0.359 -5.487 1.00 32.20 C ATOM 224 OE1 GLU A 614 -13.158 -1.465 -5.311 1.00 32.50 O ATOM 225 OE2 GLU A 614 -12.949 0.681 -4.888 1.00 50.14 O ATOM 0 H GLU A 614 -10.646 -2.842 -6.613 1.00 54.44 H new ATOM 0 HA GLU A 614 -8.957 -0.796 -7.633 1.00 10.15 H new ATOM 0 HB2 GLU A 614 -10.267 -1.095 -4.900 1.00 74.35 H new ATOM 0 HB3 GLU A 614 -9.637 0.393 -5.579 1.00 74.35 H new ATOM 0 HG2 GLU A 614 -11.446 0.715 -6.928 1.00 43.23 H new ATOM 0 HG3 GLU A 614 -11.629 -0.992 -7.282 1.00 43.23 H new ATOM 232 N LYS A 615 -7.786 -2.706 -5.247 1.00 72.34 N ATOM 233 CA LYS A 615 -6.586 -3.057 -4.499 1.00 3.03 C ATOM 234 C LYS A 615 -5.396 -3.248 -5.434 1.00 10.10 C ATOM 235 O LYS A 615 -4.373 -2.577 -5.297 1.00 30.25 O ATOM 236 CB LYS A 615 -6.820 -4.334 -3.689 1.00 33.45 C ATOM 237 CG LYS A 615 -7.129 -4.077 -2.223 1.00 70.34 C ATOM 238 CD LYS A 615 -7.237 -5.375 -1.441 1.00 4.05 C ATOM 239 CE LYS A 615 -8.629 -5.977 -1.549 1.00 73.14 C ATOM 240 NZ LYS A 615 -9.249 -6.189 -0.212 1.00 4.32 N ATOM 0 H LYS A 615 -8.555 -3.369 -5.145 1.00 72.34 H new ATOM 0 HA LYS A 615 -6.362 -2.236 -3.817 1.00 3.03 H new ATOM 0 HB2 LYS A 615 -7.645 -4.890 -4.134 1.00 33.45 H new ATOM 0 HB3 LYS A 615 -5.935 -4.966 -3.760 1.00 33.45 H new ATOM 0 HG2 LYS A 615 -6.347 -3.454 -1.789 1.00 70.34 H new ATOM 0 HG3 LYS A 615 -8.063 -3.521 -2.139 1.00 70.34 H new ATOM 0 HD2 LYS A 615 -6.501 -6.088 -1.814 1.00 4.05 H new ATOM 0 HD3 LYS A 615 -7.000 -5.191 -0.393 1.00 4.05 H new ATOM 0 HE2 LYS A 615 -9.264 -5.319 -2.143 1.00 73.14 H new ATOM 0 HE3 LYS A 615 -8.573 -6.928 -2.078 1.00 73.14 H new ATOM 0 HZ1 LYS A 615 -9.553 -7.180 -0.123 1.00 4.32 H new ATOM 0 HZ2 LYS A 615 -8.554 -5.972 0.531 1.00 4.32 H new ATOM 0 HZ3 LYS A 615 -10.073 -5.563 -0.108 1.00 4.32 H new ATOM 254 N ARG A 616 -5.538 -4.164 -6.385 1.00 74.44 N ATOM 255 CA ARG A 616 -4.476 -4.443 -7.344 1.00 71.24 C ATOM 256 C ARG A 616 -3.988 -3.156 -8.003 1.00 74.43 C ATOM 257 O ARG A 616 -2.811 -3.026 -8.335 1.00 51.04 O ATOM 258 CB ARG A 616 -4.966 -5.422 -8.411 1.00 53.05 C ATOM 259 CG ARG A 616 -5.518 -4.742 -9.655 1.00 13.04 C ATOM 260 CD ARG A 616 -6.098 -5.753 -10.632 1.00 30.44 C ATOM 261 NE ARG A 616 -7.343 -5.282 -11.232 1.00 42.11 N ATOM 262 CZ ARG A 616 -7.887 -5.822 -12.316 1.00 62.14 C ATOM 263 NH1 ARG A 616 -7.297 -6.847 -12.917 1.00 53.31 N ATOM 264 NH2 ARG A 616 -9.021 -5.337 -12.803 1.00 53.15 N ATOM 0 H ARG A 616 -6.379 -4.727 -6.513 1.00 74.44 H new ATOM 0 HA ARG A 616 -3.643 -4.894 -6.805 1.00 71.24 H new ATOM 0 HB2 ARG A 616 -4.142 -6.074 -8.699 1.00 53.05 H new ATOM 0 HB3 ARG A 616 -5.740 -6.058 -7.981 1.00 53.05 H new ATOM 0 HG2 ARG A 616 -6.290 -4.028 -9.368 1.00 13.04 H new ATOM 0 HG3 ARG A 616 -4.725 -4.176 -10.144 1.00 13.04 H new ATOM 0 HD2 ARG A 616 -5.371 -5.956 -11.418 1.00 30.44 H new ATOM 0 HD3 ARG A 616 -6.279 -6.695 -10.114 1.00 30.44 H new ATOM 0 HE ARG A 616 -7.821 -4.495 -10.794 1.00 42.11 H new ATOM 0 HH11 ARG A 616 -6.424 -7.222 -12.546 1.00 53.31 H new ATOM 0 HH12 ARG A 616 -7.717 -7.260 -13.750 1.00 53.31 H new ATOM 0 HH21 ARG A 616 -9.477 -4.548 -12.345 1.00 53.15 H new ATOM 0 HH22 ARG A 616 -9.438 -5.753 -13.636 1.00 53.15 H new ATOM 278 N GLN A 617 -4.903 -2.211 -8.191 1.00 53.45 N ATOM 279 CA GLN A 617 -4.566 -0.935 -8.812 1.00 71.22 C ATOM 280 C GLN A 617 -3.545 -0.174 -7.974 1.00 3.30 C ATOM 281 O GLN A 617 -2.688 0.530 -8.509 1.00 41.51 O ATOM 282 CB GLN A 617 -5.825 -0.085 -8.999 1.00 23.34 C ATOM 283 CG GLN A 617 -5.918 0.572 -10.366 1.00 11.15 C ATOM 284 CD GLN A 617 -5.753 2.078 -10.301 1.00 12.03 C ATOM 285 OE1 GLN A 617 -6.678 2.800 -9.928 1.00 5.53 O ATOM 286 NE2 GLN A 617 -4.571 2.560 -10.664 1.00 62.25 N ATOM 0 H GLN A 617 -5.883 -2.304 -7.923 1.00 53.45 H new ATOM 0 HA GLN A 617 -4.127 -1.141 -9.788 1.00 71.22 H new ATOM 0 HB2 GLN A 617 -6.703 -0.713 -8.846 1.00 23.34 H new ATOM 0 HB3 GLN A 617 -5.849 0.688 -8.231 1.00 23.34 H new ATOM 0 HG2 GLN A 617 -5.152 0.154 -11.019 1.00 11.15 H new ATOM 0 HG3 GLN A 617 -6.883 0.335 -10.814 1.00 11.15 H new ATOM 0 HE21 GLN A 617 -3.832 1.925 -10.967 1.00 62.25 H new ATOM 0 HE22 GLN A 617 -4.401 3.565 -10.640 1.00 62.25 H new ATOM 295 N LEU A 618 -3.642 -0.319 -6.657 1.00 70.31 N ATOM 296 CA LEU A 618 -2.726 0.355 -5.743 1.00 43.30 C ATOM 297 C LEU A 618 -1.326 -0.241 -5.838 1.00 4.11 C ATOM 298 O LEU A 618 -0.349 0.475 -6.059 1.00 43.31 O ATOM 299 CB LEU A 618 -3.241 0.252 -4.306 1.00 44.31 C ATOM 300 CG LEU A 618 -4.699 0.654 -4.085 1.00 25.40 C ATOM 301 CD1 LEU A 618 -5.065 0.544 -2.613 1.00 13.14 C ATOM 302 CD2 LEU A 618 -4.945 2.067 -4.593 1.00 55.13 C ATOM 0 H LEU A 618 -4.346 -0.897 -6.198 1.00 70.31 H new ATOM 0 HA LEU A 618 -2.673 1.406 -6.029 1.00 43.30 H new ATOM 0 HB2 LEU A 618 -3.114 -0.777 -3.969 1.00 44.31 H new ATOM 0 HB3 LEU A 618 -2.613 0.876 -3.671 1.00 44.31 H new ATOM 0 HG LEU A 618 -5.334 -0.029 -4.649 1.00 25.40 H new ATOM 0 HD11 LEU A 618 -6.107 0.834 -2.474 1.00 13.14 H new ATOM 0 HD12 LEU A 618 -4.927 -0.485 -2.280 1.00 13.14 H new ATOM 0 HD13 LEU A 618 -4.424 1.204 -2.028 1.00 13.14 H new ATOM 0 HD21 LEU A 618 -5.988 2.337 -4.428 1.00 55.13 H new ATOM 0 HD22 LEU A 618 -4.301 2.764 -4.057 1.00 55.13 H new ATOM 0 HD23 LEU A 618 -4.723 2.114 -5.659 1.00 55.13 H new ATOM 314 N SER A 619 -1.235 -1.557 -5.671 1.00 71.05 N ATOM 315 CA SER A 619 0.047 -2.250 -5.737 1.00 2.24 C ATOM 316 C SER A 619 0.802 -1.875 -7.009 1.00 30.32 C ATOM 317 O SER A 619 2.026 -1.728 -6.998 1.00 34.02 O ATOM 318 CB SER A 619 -0.165 -3.763 -5.683 1.00 30.40 C ATOM 319 OG SER A 619 -1.298 -4.148 -6.442 1.00 60.10 O ATOM 0 H SER A 619 -2.034 -2.165 -5.489 1.00 71.05 H new ATOM 0 HA SER A 619 0.643 -1.943 -4.878 1.00 2.24 H new ATOM 0 HB2 SER A 619 0.721 -4.271 -6.064 1.00 30.40 H new ATOM 0 HB3 SER A 619 -0.293 -4.078 -4.648 1.00 30.40 H new ATOM 0 HG SER A 619 -1.454 -3.492 -7.153 1.00 60.10 H new ATOM 325 N LEU A 620 0.065 -1.723 -8.103 1.00 42.24 N ATOM 326 CA LEU A 620 0.665 -1.366 -9.385 1.00 12.30 C ATOM 327 C LEU A 620 0.937 0.133 -9.460 1.00 5.35 C ATOM 328 O LEU A 620 2.080 0.558 -9.630 1.00 45.41 O ATOM 329 CB LEU A 620 -0.254 -1.787 -10.534 1.00 41.32 C ATOM 330 CG LEU A 620 0.156 -1.311 -11.929 1.00 3.31 C ATOM 331 CD1 LEU A 620 0.652 -2.479 -12.767 1.00 2.15 C ATOM 332 CD2 LEU A 620 -1.008 -0.614 -12.617 1.00 54.31 C ATOM 0 H LEU A 620 -0.948 -1.841 -8.129 1.00 42.24 H new ATOM 0 HA LEU A 620 1.615 -1.894 -9.474 1.00 12.30 H new ATOM 0 HB2 LEU A 620 -0.313 -2.875 -10.546 1.00 41.32 H new ATOM 0 HB3 LEU A 620 -1.257 -1.416 -10.325 1.00 41.32 H new ATOM 0 HG LEU A 620 0.971 -0.595 -11.823 1.00 3.31 H new ATOM 0 HD11 LEU A 620 0.939 -2.121 -13.756 1.00 2.15 H new ATOM 0 HD12 LEU A 620 1.515 -2.935 -12.281 1.00 2.15 H new ATOM 0 HD13 LEU A 620 -0.142 -3.219 -12.865 1.00 2.15 H new ATOM 0 HD21 LEU A 620 -0.699 -0.282 -13.608 1.00 54.31 H new ATOM 0 HD22 LEU A 620 -1.843 -1.308 -12.711 1.00 54.31 H new ATOM 0 HD23 LEU A 620 -1.317 0.248 -12.026 1.00 54.31 H new ATOM 344 N ASP A 621 -0.118 0.929 -9.329 1.00 32.13 N ATOM 345 CA ASP A 621 0.007 2.380 -9.378 1.00 3.11 C ATOM 346 C ASP A 621 1.140 2.858 -8.475 1.00 5.43 C ATOM 347 O ASP A 621 2.104 3.468 -8.940 1.00 74.43 O ATOM 348 CB ASP A 621 -1.307 3.042 -8.962 1.00 21.35 C ATOM 349 CG ASP A 621 -1.360 4.510 -9.335 1.00 53.12 C ATOM 350 OD1 ASP A 621 -0.283 5.113 -9.525 1.00 70.33 O ATOM 351 OD2 ASP A 621 -2.479 5.057 -9.437 1.00 52.41 O ATOM 0 H ASP A 621 -1.071 0.593 -9.188 1.00 32.13 H new ATOM 0 HA ASP A 621 0.239 2.665 -10.404 1.00 3.11 H new ATOM 0 HB2 ASP A 621 -2.139 2.520 -9.435 1.00 21.35 H new ATOM 0 HB3 ASP A 621 -1.437 2.939 -7.885 1.00 21.35 H new ATOM 356 N ILE A 622 1.016 2.580 -7.181 1.00 31.32 N ATOM 357 CA ILE A 622 2.029 2.982 -6.213 1.00 60.04 C ATOM 358 C ILE A 622 3.411 2.487 -6.627 1.00 44.41 C ATOM 359 O ILE A 622 4.403 3.203 -6.495 1.00 1.32 O ATOM 360 CB ILE A 622 1.706 2.448 -4.805 1.00 64.11 C ATOM 361 CG1 ILE A 622 0.572 3.261 -4.177 1.00 21.32 C ATOM 362 CG2 ILE A 622 2.946 2.491 -3.925 1.00 61.52 C ATOM 363 CD1 ILE A 622 -0.527 2.406 -3.585 1.00 73.10 C ATOM 0 H ILE A 622 0.224 2.078 -6.779 1.00 31.32 H new ATOM 0 HA ILE A 622 2.027 4.072 -6.189 1.00 60.04 H new ATOM 0 HB ILE A 622 1.381 1.411 -4.890 1.00 64.11 H new ATOM 0 HG12 ILE A 622 0.983 3.901 -3.397 1.00 21.32 H new ATOM 0 HG13 ILE A 622 0.143 3.917 -4.935 1.00 21.32 H new ATOM 0 HG21 ILE A 622 2.702 2.110 -2.933 1.00 61.52 H new ATOM 0 HG22 ILE A 622 3.728 1.874 -4.368 1.00 61.52 H new ATOM 0 HG23 ILE A 622 3.298 3.519 -3.842 1.00 61.52 H new ATOM 0 HD11 ILE A 622 -1.297 3.048 -3.158 1.00 73.10 H new ATOM 0 HD12 ILE A 622 -0.965 1.784 -4.366 1.00 73.10 H new ATOM 0 HD13 ILE A 622 -0.112 1.769 -2.804 1.00 73.10 H new ATOM 375 N ASN A 623 3.469 1.259 -7.131 1.00 15.12 N ATOM 376 CA ASN A 623 4.729 0.668 -7.565 1.00 74.03 C ATOM 377 C ASN A 623 5.334 1.466 -8.717 1.00 72.34 C ATOM 378 O ASN A 623 6.543 1.695 -8.760 1.00 13.10 O ATOM 379 CB ASN A 623 4.514 -0.785 -7.994 1.00 23.14 C ATOM 380 CG ASN A 623 5.740 -1.377 -8.663 1.00 10.22 C ATOM 381 OD1 ASN A 623 6.851 -0.871 -8.507 1.00 62.53 O ATOM 382 ND2 ASN A 623 5.541 -2.455 -9.413 1.00 43.30 N ATOM 0 H ASN A 623 2.657 0.653 -7.249 1.00 15.12 H new ATOM 0 HA ASN A 623 5.423 0.692 -6.724 1.00 74.03 H new ATOM 0 HB2 ASN A 623 4.255 -1.384 -7.121 1.00 23.14 H new ATOM 0 HB3 ASN A 623 3.668 -0.837 -8.680 1.00 23.14 H new ATOM 0 HD21 ASN A 623 6.327 -2.898 -9.888 1.00 43.30 H new ATOM 0 HD22 ASN A 623 4.602 -2.840 -9.514 1.00 43.30 H new ATOM 389 N LYS A 624 4.486 1.885 -9.649 1.00 51.04 N ATOM 390 CA LYS A 624 4.935 2.658 -10.801 1.00 15.22 C ATOM 391 C LYS A 624 5.383 4.054 -10.378 1.00 32.23 C ATOM 392 O LYS A 624 6.241 4.662 -11.020 1.00 51.21 O ATOM 393 CB LYS A 624 3.815 2.763 -11.838 1.00 41.42 C ATOM 394 CG LYS A 624 4.318 2.854 -13.269 1.00 54.32 C ATOM 395 CD LYS A 624 3.453 2.038 -14.216 1.00 25.20 C ATOM 396 CE LYS A 624 3.913 2.187 -15.658 1.00 32.11 C ATOM 397 NZ LYS A 624 3.452 1.054 -16.508 1.00 5.22 N ATOM 0 H LYS A 624 3.483 1.702 -9.629 1.00 51.04 H new ATOM 0 HA LYS A 624 5.786 2.141 -11.245 1.00 15.22 H new ATOM 0 HB2 LYS A 624 3.163 1.895 -11.745 1.00 41.42 H new ATOM 0 HB3 LYS A 624 3.209 3.642 -11.618 1.00 41.42 H new ATOM 0 HG2 LYS A 624 4.325 3.896 -13.588 1.00 54.32 H new ATOM 0 HG3 LYS A 624 5.347 2.499 -13.317 1.00 54.32 H new ATOM 0 HD2 LYS A 624 3.488 0.987 -13.928 1.00 25.20 H new ATOM 0 HD3 LYS A 624 2.415 2.358 -14.129 1.00 25.20 H new ATOM 0 HE2 LYS A 624 3.533 3.124 -16.065 1.00 32.11 H new ATOM 0 HE3 LYS A 624 5.001 2.244 -15.688 1.00 32.11 H new ATOM 0 HZ1 LYS A 624 3.786 1.193 -17.483 1.00 5.22 H new ATOM 0 HZ2 LYS A 624 3.835 0.162 -16.135 1.00 5.22 H new ATOM 0 HZ3 LYS A 624 2.413 1.015 -16.500 1.00 5.22 H new ATOM 411 N LEU A 625 4.800 4.555 -9.295 1.00 74.13 N ATOM 412 CA LEU A 625 5.141 5.879 -8.786 1.00 33.34 C ATOM 413 C LEU A 625 6.606 5.940 -8.366 1.00 33.13 C ATOM 414 O LEU A 625 7.252 4.919 -8.129 1.00 2.15 O ATOM 415 CB LEU A 625 4.243 6.237 -7.599 1.00 64.22 C ATOM 416 CG LEU A 625 3.059 7.153 -7.907 1.00 34.44 C ATOM 417 CD1 LEU A 625 2.328 6.681 -9.154 1.00 61.11 C ATOM 418 CD2 LEU A 625 2.108 7.212 -6.720 1.00 75.31 C ATOM 0 H LEU A 625 4.089 4.065 -8.752 1.00 74.13 H new ATOM 0 HA LEU A 625 4.981 6.602 -9.586 1.00 33.34 H new ATOM 0 HB2 LEU A 625 3.859 5.313 -7.168 1.00 64.22 H new ATOM 0 HB3 LEU A 625 4.857 6.714 -6.835 1.00 64.22 H new ATOM 0 HG LEU A 625 3.440 8.157 -8.093 1.00 34.44 H new ATOM 0 HD11 LEU A 625 1.488 7.346 -9.357 1.00 61.11 H new ATOM 0 HD12 LEU A 625 3.012 6.691 -10.002 1.00 61.11 H new ATOM 0 HD13 LEU A 625 1.959 5.667 -8.998 1.00 61.11 H new ATOM 0 HD21 LEU A 625 1.271 7.869 -6.957 1.00 75.31 H new ATOM 0 HD22 LEU A 625 1.734 6.211 -6.503 1.00 75.31 H new ATOM 0 HD23 LEU A 625 2.637 7.598 -5.849 1.00 75.31 H new ATOM 430 N PRO A 626 7.143 7.165 -8.270 1.00 32.23 N ATOM 431 CA PRO A 626 8.537 7.389 -7.876 1.00 63.32 C ATOM 432 C PRO A 626 8.785 7.058 -6.408 1.00 4.31 C ATOM 433 O PRO A 626 7.846 6.920 -5.626 1.00 75.42 O ATOM 434 CB PRO A 626 8.742 8.884 -8.130 1.00 12.24 C ATOM 435 CG PRO A 626 7.378 9.476 -8.026 1.00 62.41 C ATOM 436 CD PRO A 626 6.431 8.425 -8.538 1.00 41.13 C ATOM 0 HA PRO A 626 9.225 6.751 -8.431 1.00 63.32 H new ATOM 0 HB2 PRO A 626 9.420 9.321 -7.397 1.00 12.24 H new ATOM 0 HB3 PRO A 626 9.177 9.063 -9.113 1.00 12.24 H new ATOM 0 HG2 PRO A 626 7.145 9.742 -6.995 1.00 62.41 H new ATOM 0 HG3 PRO A 626 7.303 10.390 -8.616 1.00 62.41 H new ATOM 0 HD2 PRO A 626 5.472 8.462 -8.021 1.00 41.13 H new ATOM 0 HD3 PRO A 626 6.226 8.552 -9.601 1.00 41.13 H new ATOM 444 N GLY A 627 10.057 6.934 -6.041 1.00 14.32 N ATOM 445 CA GLY A 627 10.405 6.621 -4.667 1.00 55.42 C ATOM 446 C GLY A 627 9.710 7.529 -3.672 1.00 11.32 C ATOM 447 O GLY A 627 8.993 7.060 -2.789 1.00 64.00 O ATOM 0 H GLY A 627 10.852 7.045 -6.670 1.00 14.32 H new ATOM 0 HA2 GLY A 627 10.140 5.585 -4.455 1.00 55.42 H new ATOM 0 HA3 GLY A 627 11.484 6.707 -4.540 1.00 55.42 H new ATOM 451 N GLU A 628 9.925 8.833 -3.813 1.00 53.41 N ATOM 452 CA GLU A 628 9.315 9.809 -2.917 1.00 1.22 C ATOM 453 C GLU A 628 7.813 9.568 -2.791 1.00 45.50 C ATOM 454 O GLU A 628 7.242 9.689 -1.708 1.00 3.21 O ATOM 455 CB GLU A 628 9.574 11.230 -3.422 1.00 1.13 C ATOM 456 CG GLU A 628 8.803 12.296 -2.662 1.00 72.15 C ATOM 457 CD GLU A 628 9.608 13.565 -2.457 1.00 33.11 C ATOM 458 OE1 GLU A 628 10.417 13.905 -3.345 1.00 21.21 O ATOM 459 OE2 GLU A 628 9.427 14.218 -1.408 1.00 25.54 O ATOM 0 H GLU A 628 10.517 9.238 -4.539 1.00 53.41 H new ATOM 0 HA GLU A 628 9.768 9.693 -1.932 1.00 1.22 H new ATOM 0 HB2 GLU A 628 10.640 11.444 -3.349 1.00 1.13 H new ATOM 0 HB3 GLU A 628 9.309 11.285 -4.478 1.00 1.13 H new ATOM 0 HG2 GLU A 628 7.889 12.534 -3.205 1.00 72.15 H new ATOM 0 HG3 GLU A 628 8.503 11.900 -1.692 1.00 72.15 H new ATOM 466 N LYS A 629 7.180 9.228 -3.908 1.00 14.43 N ATOM 467 CA LYS A 629 5.745 8.970 -3.925 1.00 73.23 C ATOM 468 C LYS A 629 5.409 7.711 -3.131 1.00 41.45 C ATOM 469 O LYS A 629 4.415 7.669 -2.405 1.00 54.34 O ATOM 470 CB LYS A 629 5.249 8.823 -5.366 1.00 2.54 C ATOM 471 CG LYS A 629 4.805 10.134 -5.992 1.00 32.23 C ATOM 472 CD LYS A 629 3.306 10.337 -5.856 1.00 55.50 C ATOM 473 CE LYS A 629 2.683 10.789 -7.168 1.00 72.34 C ATOM 474 NZ LYS A 629 3.155 12.143 -7.569 1.00 41.14 N ATOM 0 H LYS A 629 7.638 9.125 -4.814 1.00 14.43 H new ATOM 0 HA LYS A 629 5.244 9.818 -3.459 1.00 73.23 H new ATOM 0 HB2 LYS A 629 6.045 8.391 -5.973 1.00 2.54 H new ATOM 0 HB3 LYS A 629 4.416 8.120 -5.385 1.00 2.54 H new ATOM 0 HG2 LYS A 629 5.330 10.962 -5.516 1.00 32.23 H new ATOM 0 HG3 LYS A 629 5.081 10.146 -7.047 1.00 32.23 H new ATOM 0 HD2 LYS A 629 2.840 9.406 -5.532 1.00 55.50 H new ATOM 0 HD3 LYS A 629 3.107 11.079 -5.083 1.00 55.50 H new ATOM 0 HE2 LYS A 629 2.928 10.072 -7.952 1.00 72.34 H new ATOM 0 HE3 LYS A 629 1.597 10.797 -7.071 1.00 72.34 H new ATOM 0 HZ1 LYS A 629 2.417 12.617 -8.128 1.00 41.14 H new ATOM 0 HZ2 LYS A 629 3.360 12.705 -6.718 1.00 41.14 H new ATOM 0 HZ3 LYS A 629 4.019 12.054 -8.141 1.00 41.14 H new ATOM 488 N LEU A 630 6.245 6.688 -3.272 1.00 13.11 N ATOM 489 CA LEU A 630 6.037 5.428 -2.566 1.00 1.41 C ATOM 490 C LEU A 630 6.258 5.602 -1.066 1.00 74.23 C ATOM 491 O LEU A 630 5.433 5.186 -0.255 1.00 54.11 O ATOM 492 CB LEU A 630 6.980 4.354 -3.111 1.00 61.20 C ATOM 493 CG LEU A 630 6.643 2.911 -2.733 1.00 3.41 C ATOM 494 CD1 LEU A 630 6.216 2.124 -3.961 1.00 33.30 C ATOM 495 CD2 LEU A 630 7.834 2.246 -2.059 1.00 20.05 C ATOM 0 H LEU A 630 7.072 6.706 -3.868 1.00 13.11 H new ATOM 0 HA LEU A 630 5.006 5.114 -2.729 1.00 1.41 H new ATOM 0 HB2 LEU A 630 6.995 4.430 -4.198 1.00 61.20 H new ATOM 0 HB3 LEU A 630 7.989 4.574 -2.762 1.00 61.20 H new ATOM 0 HG LEU A 630 5.812 2.924 -2.028 1.00 3.41 H new ATOM 0 HD11 LEU A 630 5.980 1.100 -3.673 1.00 33.30 H new ATOM 0 HD12 LEU A 630 5.335 2.589 -4.403 1.00 33.30 H new ATOM 0 HD13 LEU A 630 7.027 2.118 -4.690 1.00 33.30 H new ATOM 0 HD21 LEU A 630 7.577 1.220 -1.796 1.00 20.05 H new ATOM 0 HD22 LEU A 630 8.684 2.244 -2.741 1.00 20.05 H new ATOM 0 HD23 LEU A 630 8.095 2.797 -1.156 1.00 20.05 H new ATOM 507 N GLY A 631 7.378 6.220 -0.706 1.00 43.43 N ATOM 508 CA GLY A 631 7.687 6.440 0.695 1.00 20.21 C ATOM 509 C GLY A 631 6.490 6.936 1.482 1.00 72.41 C ATOM 510 O GLY A 631 6.279 6.531 2.625 1.00 34.51 O ATOM 0 H GLY A 631 8.077 6.573 -1.359 1.00 43.43 H new ATOM 0 HA2 GLY A 631 8.047 5.510 1.135 1.00 20.21 H new ATOM 0 HA3 GLY A 631 8.497 7.165 0.776 1.00 20.21 H new ATOM 514 N ARG A 632 5.704 7.816 0.870 1.00 63.53 N ATOM 515 CA ARG A 632 4.524 8.370 1.521 1.00 31.23 C ATOM 516 C ARG A 632 3.458 7.295 1.718 1.00 12.44 C ATOM 517 O ARG A 632 2.908 7.145 2.809 1.00 14.24 O ATOM 518 CB ARG A 632 3.953 9.524 0.695 1.00 14.10 C ATOM 519 CG ARG A 632 4.149 10.887 1.337 1.00 73.04 C ATOM 520 CD ARG A 632 4.768 11.878 0.364 1.00 65.44 C ATOM 521 NE ARG A 632 4.574 13.260 0.792 1.00 50.35 N ATOM 522 CZ ARG A 632 4.771 14.309 0.000 1.00 63.21 C ATOM 523 NH1 ARG A 632 5.166 14.133 -1.253 1.00 42.02 N ATOM 524 NH2 ARG A 632 4.573 15.537 0.463 1.00 11.52 N ATOM 0 H ARG A 632 5.864 8.161 -0.077 1.00 63.53 H new ATOM 0 HA ARG A 632 4.823 8.746 2.499 1.00 31.23 H new ATOM 0 HB2 ARG A 632 4.424 9.524 -0.288 1.00 14.10 H new ATOM 0 HB3 ARG A 632 2.888 9.355 0.538 1.00 14.10 H new ATOM 0 HG2 ARG A 632 3.189 11.268 1.684 1.00 73.04 H new ATOM 0 HG3 ARG A 632 4.789 10.789 2.214 1.00 73.04 H new ATOM 0 HD2 ARG A 632 5.835 11.674 0.269 1.00 65.44 H new ATOM 0 HD3 ARG A 632 4.328 11.739 -0.623 1.00 65.44 H new ATOM 0 HE ARG A 632 4.271 13.430 1.751 1.00 50.35 H new ATOM 0 HH11 ARG A 632 5.320 13.191 -1.612 1.00 42.02 H new ATOM 0 HH12 ARG A 632 5.316 14.940 -1.858 1.00 42.02 H new ATOM 0 HH21 ARG A 632 4.270 15.676 1.427 1.00 11.52 H new ATOM 0 HH22 ARG A 632 4.724 16.342 -0.145 1.00 11.52 H new ATOM 538 N VAL A 633 3.171 6.551 0.655 1.00 22.03 N ATOM 539 CA VAL A 633 2.172 5.490 0.712 1.00 42.44 C ATOM 540 C VAL A 633 2.561 4.422 1.726 1.00 25.23 C ATOM 541 O VAL A 633 1.802 4.116 2.646 1.00 74.21 O ATOM 542 CB VAL A 633 1.978 4.829 -0.666 1.00 33.04 C ATOM 543 CG1 VAL A 633 0.831 3.831 -0.622 1.00 55.52 C ATOM 544 CG2 VAL A 633 1.738 5.885 -1.734 1.00 35.51 C ATOM 0 H VAL A 633 3.616 6.663 -0.256 1.00 22.03 H new ATOM 0 HA VAL A 633 1.235 5.953 1.020 1.00 42.44 H new ATOM 0 HB VAL A 633 2.889 4.288 -0.922 1.00 33.04 H new ATOM 0 HG11 VAL A 633 0.709 3.374 -1.604 1.00 55.52 H new ATOM 0 HG12 VAL A 633 1.050 3.057 0.114 1.00 55.52 H new ATOM 0 HG13 VAL A 633 -0.089 4.346 -0.344 1.00 55.52 H new ATOM 0 HG21 VAL A 633 1.603 5.400 -2.701 1.00 35.51 H new ATOM 0 HG22 VAL A 633 0.843 6.456 -1.486 1.00 35.51 H new ATOM 0 HG23 VAL A 633 2.595 6.556 -1.781 1.00 35.51 H new ATOM 554 N VAL A 634 3.752 3.855 1.554 1.00 72.24 N ATOM 555 CA VAL A 634 4.245 2.820 2.455 1.00 12.25 C ATOM 556 C VAL A 634 4.128 3.259 3.911 1.00 43.25 C ATOM 557 O VAL A 634 3.887 2.442 4.799 1.00 24.45 O ATOM 558 CB VAL A 634 5.713 2.465 2.153 1.00 32.34 C ATOM 559 CG1 VAL A 634 6.133 1.226 2.930 1.00 35.10 C ATOM 560 CG2 VAL A 634 5.915 2.262 0.659 1.00 31.14 C ATOM 0 H VAL A 634 4.393 4.096 0.798 1.00 72.24 H new ATOM 0 HA VAL A 634 3.626 1.938 2.293 1.00 12.25 H new ATOM 0 HB VAL A 634 6.343 3.295 2.472 1.00 32.34 H new ATOM 0 HG11 VAL A 634 7.173 0.990 2.704 1.00 35.10 H new ATOM 0 HG12 VAL A 634 6.027 1.413 3.999 1.00 35.10 H new ATOM 0 HG13 VAL A 634 5.500 0.386 2.645 1.00 35.10 H new ATOM 0 HG21 VAL A 634 6.958 2.012 0.464 1.00 31.14 H new ATOM 0 HG22 VAL A 634 5.276 1.450 0.312 1.00 31.14 H new ATOM 0 HG23 VAL A 634 5.656 3.179 0.129 1.00 31.14 H new ATOM 570 N HIS A 635 4.301 4.555 4.147 1.00 2.44 N ATOM 571 CA HIS A 635 4.214 5.104 5.496 1.00 4.21 C ATOM 572 C HIS A 635 2.804 4.948 6.057 1.00 34.42 C ATOM 573 O HIS A 635 2.623 4.734 7.256 1.00 10.55 O ATOM 574 CB HIS A 635 4.614 6.580 5.496 1.00 2.53 C ATOM 575 CG HIS A 635 5.233 7.033 6.783 1.00 61.41 C ATOM 576 ND1 HIS A 635 4.500 7.283 7.924 1.00 73.35 N ATOM 577 CD2 HIS A 635 6.524 7.280 7.105 1.00 33.23 C ATOM 578 CE1 HIS A 635 5.313 7.664 8.892 1.00 10.50 C ATOM 579 NE2 HIS A 635 6.547 7.672 8.421 1.00 25.34 N ATOM 0 H HIS A 635 4.502 5.245 3.423 1.00 2.44 H new ATOM 0 HA HIS A 635 4.903 4.548 6.132 1.00 4.21 H new ATOM 0 HB2 HIS A 635 5.317 6.757 4.682 1.00 2.53 H new ATOM 0 HB3 HIS A 635 3.732 7.187 5.293 1.00 2.53 H new ATOM 0 HD2 HIS A 635 7.377 7.186 6.449 1.00 33.23 H new ATOM 0 HE1 HIS A 635 5.019 7.925 9.898 1.00 10.50 H new ATOM 0 HE2 HIS A 635 7.381 7.928 8.949 1.00 25.34 H new ATOM 587 N ILE A 636 1.809 5.055 5.183 1.00 21.24 N ATOM 588 CA ILE A 636 0.416 4.925 5.591 1.00 24.00 C ATOM 589 C ILE A 636 0.095 3.491 6.000 1.00 71.22 C ATOM 590 O ILE A 636 -0.279 3.230 7.143 1.00 31.42 O ATOM 591 CB ILE A 636 -0.543 5.353 4.465 1.00 11.24 C ATOM 592 CG1 ILE A 636 0.014 6.573 3.728 1.00 73.44 C ATOM 593 CG2 ILE A 636 -1.923 5.654 5.031 1.00 54.11 C ATOM 594 CD1 ILE A 636 -1.005 7.266 2.851 1.00 51.12 C ATOM 0 H ILE A 636 1.942 5.231 4.187 1.00 21.24 H new ATOM 0 HA ILE A 636 0.275 5.585 6.447 1.00 24.00 H new ATOM 0 HB ILE A 636 -0.634 4.532 3.754 1.00 11.24 H new ATOM 0 HG12 ILE A 636 0.397 7.285 4.459 1.00 73.44 H new ATOM 0 HG13 ILE A 636 0.859 6.262 3.113 1.00 73.44 H new ATOM 0 HG21 ILE A 636 -2.590 5.955 4.223 1.00 54.11 H new ATOM 0 HG22 ILE A 636 -2.320 4.762 5.516 1.00 54.11 H new ATOM 0 HG23 ILE A 636 -1.849 6.461 5.760 1.00 54.11 H new ATOM 0 HD11 ILE A 636 -0.541 8.121 2.360 1.00 51.12 H new ATOM 0 HD12 ILE A 636 -1.370 6.569 2.097 1.00 51.12 H new ATOM 0 HD13 ILE A 636 -1.839 7.608 3.463 1.00 51.12 H new ATOM 606 N ILE A 637 0.244 2.566 5.058 1.00 65.42 N ATOM 607 CA ILE A 637 -0.027 1.158 5.320 1.00 2.45 C ATOM 608 C ILE A 637 0.761 0.662 6.528 1.00 51.21 C ATOM 609 O ILE A 637 0.225 -0.039 7.385 1.00 11.13 O ATOM 610 CB ILE A 637 0.317 0.282 4.101 1.00 33.34 C ATOM 611 CG1 ILE A 637 -0.454 0.758 2.869 1.00 10.14 C ATOM 612 CG2 ILE A 637 0.006 -1.179 4.395 1.00 23.11 C ATOM 613 CD1 ILE A 637 0.051 0.163 1.574 1.00 74.44 C ATOM 0 H ILE A 637 0.551 2.766 4.106 1.00 65.42 H new ATOM 0 HA ILE A 637 -1.094 1.075 5.527 1.00 2.45 H new ATOM 0 HB ILE A 637 1.384 0.373 3.896 1.00 33.34 H new ATOM 0 HG12 ILE A 637 -1.507 0.505 2.989 1.00 10.14 H new ATOM 0 HG13 ILE A 637 -0.392 1.845 2.809 1.00 10.14 H new ATOM 0 HG21 ILE A 637 0.254 -1.786 3.524 1.00 23.11 H new ATOM 0 HG22 ILE A 637 0.595 -1.512 5.249 1.00 23.11 H new ATOM 0 HG23 ILE A 637 -1.055 -1.287 4.622 1.00 23.11 H new ATOM 0 HD11 ILE A 637 -0.542 0.545 0.743 1.00 74.44 H new ATOM 0 HD12 ILE A 637 1.096 0.438 1.431 1.00 74.44 H new ATOM 0 HD13 ILE A 637 -0.037 -0.923 1.614 1.00 74.44 H new ATOM 625 N GLN A 638 2.036 1.033 6.588 1.00 24.31 N ATOM 626 CA GLN A 638 2.898 0.626 7.692 1.00 13.35 C ATOM 627 C GLN A 638 2.503 1.338 8.982 1.00 12.23 C ATOM 628 O GLN A 638 2.924 0.950 10.071 1.00 33.43 O ATOM 629 CB GLN A 638 4.361 0.923 7.360 1.00 21.31 C ATOM 630 CG GLN A 638 4.750 2.378 7.566 1.00 54.04 C ATOM 631 CD GLN A 638 6.194 2.655 7.196 1.00 34.35 C ATOM 632 OE1 GLN A 638 6.974 3.139 8.016 1.00 23.13 O ATOM 633 NE2 GLN A 638 6.557 2.347 5.957 1.00 21.20 N ATOM 0 H GLN A 638 2.495 1.614 5.886 1.00 24.31 H new ATOM 0 HA GLN A 638 2.776 -0.447 7.839 1.00 13.35 H new ATOM 0 HB2 GLN A 638 5.000 0.294 7.980 1.00 21.31 H new ATOM 0 HB3 GLN A 638 4.552 0.648 6.323 1.00 21.31 H new ATOM 0 HG2 GLN A 638 4.097 3.013 6.967 1.00 54.04 H new ATOM 0 HG3 GLN A 638 4.588 2.649 8.609 1.00 54.04 H new ATOM 0 HE21 GLN A 638 5.877 1.947 5.311 1.00 21.20 H new ATOM 0 HE22 GLN A 638 7.516 2.510 5.651 1.00 21.20 H new ATOM 642 N SER A 639 1.691 2.383 8.850 1.00 31.13 N ATOM 643 CA SER A 639 1.243 3.152 10.005 1.00 13.32 C ATOM 644 C SER A 639 -0.062 2.588 10.561 1.00 72.51 C ATOM 645 O SER A 639 -0.285 2.586 11.771 1.00 52.43 O ATOM 646 CB SER A 639 1.054 4.622 9.625 1.00 61.45 C ATOM 647 OG SER A 639 2.258 5.350 9.792 1.00 25.40 O ATOM 0 H SER A 639 1.331 2.716 7.956 1.00 31.13 H new ATOM 0 HA SER A 639 2.009 3.079 10.777 1.00 13.32 H new ATOM 0 HB2 SER A 639 0.723 4.693 8.589 1.00 61.45 H new ATOM 0 HB3 SER A 639 0.270 5.063 10.241 1.00 61.45 H new ATOM 0 HG SER A 639 2.765 5.341 8.953 1.00 25.40 H new ATOM 653 N ARG A 640 -0.920 2.109 9.665 1.00 2.14 N ATOM 654 CA ARG A 640 -2.203 1.542 10.065 1.00 42.44 C ATOM 655 C ARG A 640 -2.079 0.044 10.326 1.00 43.23 C ATOM 656 O ARG A 640 -2.768 -0.504 11.185 1.00 60.04 O ATOM 657 CB ARG A 640 -3.255 1.797 8.983 1.00 4.31 C ATOM 658 CG ARG A 640 -4.305 2.822 9.383 1.00 23.50 C ATOM 659 CD ARG A 640 -3.908 4.224 8.949 1.00 21.22 C ATOM 660 NE ARG A 640 -4.632 5.252 9.692 1.00 71.01 N ATOM 661 CZ ARG A 640 -5.918 5.526 9.503 1.00 53.22 C ATOM 662 NH1 ARG A 640 -6.618 4.853 8.600 1.00 61.43 N ATOM 663 NH2 ARG A 640 -6.507 6.476 10.217 1.00 34.22 N ATOM 0 H ARG A 640 -0.750 2.102 8.659 1.00 2.14 H new ATOM 0 HA ARG A 640 -2.515 2.029 10.989 1.00 42.44 H new ATOM 0 HB2 ARG A 640 -2.756 2.136 8.075 1.00 4.31 H new ATOM 0 HB3 ARG A 640 -3.751 0.857 8.742 1.00 4.31 H new ATOM 0 HG2 ARG A 640 -5.262 2.558 8.934 1.00 23.50 H new ATOM 0 HG3 ARG A 640 -4.443 2.800 10.464 1.00 23.50 H new ATOM 0 HD2 ARG A 640 -2.836 4.359 9.094 1.00 21.22 H new ATOM 0 HD3 ARG A 640 -4.102 4.342 7.883 1.00 21.22 H new ATOM 0 HE ARG A 640 -4.123 5.789 10.394 1.00 71.01 H new ATOM 0 HH11 ARG A 640 -6.169 4.122 8.048 1.00 61.43 H new ATOM 0 HH12 ARG A 640 -7.605 5.066 8.458 1.00 61.43 H new ATOM 0 HH21 ARG A 640 -5.972 6.997 10.912 1.00 34.22 H new ATOM 0 HH22 ARG A 640 -7.495 6.686 10.071 1.00 34.22 H new ATOM 677 N GLU A 641 -1.195 -0.610 9.578 1.00 62.02 N ATOM 678 CA GLU A 641 -0.982 -2.045 9.729 1.00 2.31 C ATOM 679 C GLU A 641 -0.722 -2.406 11.189 1.00 54.22 C ATOM 680 O GLU A 641 0.175 -1.867 11.837 1.00 30.34 O ATOM 681 CB GLU A 641 0.193 -2.502 8.862 1.00 52.22 C ATOM 682 CG GLU A 641 0.501 -3.984 8.987 1.00 25.25 C ATOM 683 CD GLU A 641 0.154 -4.761 7.733 1.00 41.00 C ATOM 684 OE1 GLU A 641 0.560 -4.325 6.635 1.00 73.43 O ATOM 685 OE2 GLU A 641 -0.521 -5.805 7.848 1.00 74.12 O ATOM 0 H GLU A 641 -0.616 -0.170 8.863 1.00 62.02 H new ATOM 0 HA GLU A 641 -1.887 -2.557 9.402 1.00 2.31 H new ATOM 0 HB2 GLU A 641 -0.025 -2.271 7.819 1.00 52.22 H new ATOM 0 HB3 GLU A 641 1.080 -1.931 9.136 1.00 52.22 H new ATOM 0 HG2 GLU A 641 1.560 -4.113 9.208 1.00 25.25 H new ATOM 0 HG3 GLU A 641 -0.053 -4.396 9.830 1.00 25.25 H new ATOM 692 N PRO A 642 -1.525 -3.340 11.718 1.00 34.33 N ATOM 693 CA PRO A 642 -1.403 -3.794 13.107 1.00 74.53 C ATOM 694 C PRO A 642 -0.137 -4.612 13.339 1.00 42.21 C ATOM 695 O PRO A 642 0.549 -4.438 14.346 1.00 21.44 O ATOM 696 CB PRO A 642 -2.646 -4.666 13.305 1.00 10.25 C ATOM 697 CG PRO A 642 -3.001 -5.138 11.938 1.00 54.01 C ATOM 698 CD PRO A 642 -2.615 -4.025 11.003 1.00 55.02 C ATOM 0 HA PRO A 642 -1.335 -2.959 13.805 1.00 74.53 H new ATOM 0 HB2 PRO A 642 -2.440 -5.503 13.972 1.00 10.25 H new ATOM 0 HB3 PRO A 642 -3.462 -4.097 13.751 1.00 10.25 H new ATOM 0 HG2 PRO A 642 -2.469 -6.057 11.692 1.00 54.01 H new ATOM 0 HG3 PRO A 642 -4.066 -5.357 11.865 1.00 54.01 H new ATOM 0 HD2 PRO A 642 -2.284 -4.408 10.038 1.00 55.02 H new ATOM 0 HD3 PRO A 642 -3.452 -3.354 10.810 1.00 55.02 H new ATOM 706 N SER A 643 0.167 -5.503 12.401 1.00 33.45 N ATOM 707 CA SER A 643 1.349 -6.351 12.506 1.00 4.33 C ATOM 708 C SER A 643 2.623 -5.512 12.468 1.00 42.04 C ATOM 709 O SER A 643 3.608 -5.826 13.138 1.00 13.41 O ATOM 710 CB SER A 643 1.368 -7.379 11.374 1.00 63.31 C ATOM 711 OG SER A 643 1.523 -8.693 11.881 1.00 65.32 O ATOM 0 H SER A 643 -0.389 -5.657 11.560 1.00 33.45 H new ATOM 0 HA SER A 643 1.307 -6.875 13.461 1.00 4.33 H new ATOM 0 HB2 SER A 643 0.442 -7.313 10.803 1.00 63.31 H new ATOM 0 HB3 SER A 643 2.183 -7.153 10.687 1.00 63.31 H new ATOM 0 HG SER A 643 1.530 -9.332 11.138 1.00 65.32 H new ATOM 717 N LEU A 644 2.597 -4.444 11.679 1.00 54.15 N ATOM 718 CA LEU A 644 3.749 -3.558 11.552 1.00 42.45 C ATOM 719 C LEU A 644 4.241 -3.104 12.922 1.00 51.52 C ATOM 720 O LEU A 644 3.643 -2.230 13.549 1.00 12.23 O ATOM 721 CB LEU A 644 3.390 -2.341 10.697 1.00 45.05 C ATOM 722 CG LEU A 644 4.568 -1.555 10.119 1.00 42.22 C ATOM 723 CD1 LEU A 644 5.289 -0.791 11.218 1.00 5.31 C ATOM 724 CD2 LEU A 644 5.528 -2.488 9.396 1.00 24.22 C ATOM 0 H LEU A 644 1.791 -4.170 11.117 1.00 54.15 H new ATOM 0 HA LEU A 644 4.551 -4.113 11.065 1.00 42.45 H new ATOM 0 HB2 LEU A 644 2.762 -2.675 9.871 1.00 45.05 H new ATOM 0 HB3 LEU A 644 2.788 -1.662 11.301 1.00 45.05 H new ATOM 0 HG LEU A 644 4.182 -0.835 9.398 1.00 42.22 H new ATOM 0 HD11 LEU A 644 6.124 -0.238 10.789 1.00 5.31 H new ATOM 0 HD12 LEU A 644 4.597 -0.094 11.691 1.00 5.31 H new ATOM 0 HD13 LEU A 644 5.664 -1.493 11.963 1.00 5.31 H new ATOM 0 HD21 LEU A 644 6.360 -1.912 8.991 1.00 24.22 H new ATOM 0 HD22 LEU A 644 5.909 -3.232 10.096 1.00 24.22 H new ATOM 0 HD23 LEU A 644 5.004 -2.990 8.582 1.00 24.22 H new ATOM 736 N LYS A 645 5.335 -3.701 13.380 1.00 4.53 N ATOM 737 CA LYS A 645 5.911 -3.356 14.675 1.00 63.44 C ATOM 738 C LYS A 645 7.361 -3.819 14.765 1.00 25.01 C ATOM 739 O LYS A 645 7.825 -4.235 15.826 1.00 62.52 O ATOM 740 CB LYS A 645 5.093 -3.986 15.804 1.00 52.33 C ATOM 741 CG LYS A 645 5.203 -3.242 17.123 1.00 14.54 C ATOM 742 CD LYS A 645 3.845 -3.075 17.785 1.00 44.35 C ATOM 743 CE LYS A 645 3.981 -2.784 19.271 1.00 13.25 C ATOM 744 NZ LYS A 645 2.894 -3.423 20.062 1.00 12.45 N ATOM 0 H LYS A 645 5.842 -4.427 12.874 1.00 4.53 H new ATOM 0 HA LYS A 645 5.887 -2.271 14.778 1.00 63.44 H new ATOM 0 HB2 LYS A 645 4.046 -4.025 15.505 1.00 52.33 H new ATOM 0 HB3 LYS A 645 5.421 -5.015 15.949 1.00 52.33 H new ATOM 0 HG2 LYS A 645 5.871 -3.784 17.793 1.00 14.54 H new ATOM 0 HG3 LYS A 645 5.649 -2.262 16.953 1.00 14.54 H new ATOM 0 HD2 LYS A 645 3.301 -2.263 17.302 1.00 44.35 H new ATOM 0 HD3 LYS A 645 3.256 -3.981 17.643 1.00 44.35 H new ATOM 0 HE2 LYS A 645 4.947 -3.144 19.625 1.00 13.25 H new ATOM 0 HE3 LYS A 645 3.963 -1.706 19.433 1.00 13.25 H new ATOM 0 HZ1 LYS A 645 3.022 -3.201 21.070 1.00 12.45 H new ATOM 0 HZ2 LYS A 645 1.973 -3.061 19.742 1.00 12.45 H new ATOM 0 HZ3 LYS A 645 2.927 -4.454 19.927 1.00 12.45 H new ATOM 758 N ASN A 646 8.074 -3.740 13.646 1.00 23.14 N ATOM 759 CA ASN A 646 9.474 -4.150 13.601 1.00 51.03 C ATOM 760 C ASN A 646 10.399 -2.947 13.765 1.00 35.51 C ATOM 761 O ASN A 646 10.001 -1.808 13.521 1.00 62.24 O ATOM 762 CB ASN A 646 9.775 -4.862 12.280 1.00 71.11 C ATOM 763 CG ASN A 646 8.982 -6.144 12.121 1.00 33.15 C ATOM 764 OD1 ASN A 646 8.368 -6.383 11.081 1.00 41.02 O ATOM 765 ND2 ASN A 646 8.990 -6.978 13.155 1.00 40.24 N ATOM 0 H ASN A 646 7.706 -3.396 12.759 1.00 23.14 H new ATOM 0 HA ASN A 646 9.652 -4.838 14.427 1.00 51.03 H new ATOM 0 HB2 ASN A 646 9.549 -4.193 11.450 1.00 71.11 H new ATOM 0 HB3 ASN A 646 10.840 -5.088 12.226 1.00 71.11 H new ATOM 0 HD21 ASN A 646 8.474 -7.856 13.106 1.00 40.24 H new ATOM 0 HD22 ASN A 646 9.513 -6.740 13.998 1.00 40.24 H new ATOM 772 N SER A 647 11.633 -3.209 14.180 1.00 32.40 N ATOM 773 CA SER A 647 12.614 -2.150 14.381 1.00 14.15 C ATOM 774 C SER A 647 13.352 -1.839 13.082 1.00 14.33 C ATOM 775 O SER A 647 14.309 -1.067 13.069 1.00 62.40 O ATOM 776 CB SER A 647 13.615 -2.550 15.466 1.00 23.15 C ATOM 777 OG SER A 647 13.011 -2.533 16.749 1.00 64.22 O ATOM 0 H SER A 647 11.978 -4.147 14.384 1.00 32.40 H new ATOM 0 HA SER A 647 12.083 -1.254 14.701 1.00 14.15 H new ATOM 0 HB2 SER A 647 14.004 -3.547 15.257 1.00 23.15 H new ATOM 0 HB3 SER A 647 14.464 -1.867 15.451 1.00 23.15 H new ATOM 0 HG SER A 647 13.671 -2.794 17.425 1.00 64.22 H new ATOM 783 N ASN A 648 12.898 -2.447 11.992 1.00 72.43 N ATOM 784 CA ASN A 648 13.514 -2.237 10.686 1.00 3.01 C ATOM 785 C ASN A 648 12.565 -1.498 9.749 1.00 14.12 C ATOM 786 O ASN A 648 11.760 -2.101 9.038 1.00 42.02 O ATOM 787 CB ASN A 648 13.918 -3.577 10.068 1.00 21.22 C ATOM 788 CG ASN A 648 14.650 -3.409 8.750 1.00 32.12 C ATOM 789 OD1 ASN A 648 15.877 -3.479 8.696 1.00 51.25 O ATOM 790 ND2 ASN A 648 13.896 -3.186 7.680 1.00 33.01 N ATOM 0 H ASN A 648 12.106 -3.089 11.986 1.00 72.43 H new ATOM 0 HA ASN A 648 14.405 -1.626 10.827 1.00 3.01 H new ATOM 0 HB2 ASN A 648 14.554 -4.119 10.767 1.00 21.22 H new ATOM 0 HB3 ASN A 648 13.027 -4.185 9.911 1.00 21.22 H new ATOM 0 HD21 ASN A 648 14.331 -3.065 6.766 1.00 33.01 H new ATOM 0 HD22 ASN A 648 12.881 -3.136 7.772 1.00 33.01 H new ATOM 797 N PRO A 649 12.658 -0.160 9.745 1.00 1.23 N ATOM 798 CA PRO A 649 11.817 0.690 8.900 1.00 54.33 C ATOM 799 C PRO A 649 12.166 0.564 7.421 1.00 51.44 C ATOM 800 O PRO A 649 11.463 1.094 6.559 1.00 5.51 O ATOM 801 CB PRO A 649 12.121 2.103 9.402 1.00 2.44 C ATOM 802 CG PRO A 649 13.486 2.010 9.992 1.00 44.21 C ATOM 803 CD PRO A 649 13.594 0.625 10.567 1.00 4.13 C ATOM 0 HA PRO A 649 10.764 0.416 8.968 1.00 54.33 H new ATOM 0 HB2 PRO A 649 12.090 2.827 8.588 1.00 2.44 H new ATOM 0 HB3 PRO A 649 11.390 2.425 10.144 1.00 2.44 H new ATOM 0 HG2 PRO A 649 14.251 2.179 9.234 1.00 44.21 H new ATOM 0 HG3 PRO A 649 13.630 2.766 10.764 1.00 44.21 H new ATOM 0 HD2 PRO A 649 14.611 0.239 10.497 1.00 4.13 H new ATOM 0 HD3 PRO A 649 13.317 0.605 11.621 1.00 4.13 H new ATOM 811 N ASP A 650 13.255 -0.140 7.133 1.00 41.22 N ATOM 812 CA ASP A 650 13.698 -0.337 5.757 1.00 13.42 C ATOM 813 C ASP A 650 12.985 -1.526 5.123 1.00 72.44 C ATOM 814 O ASP A 650 13.303 -1.927 4.004 1.00 44.03 O ATOM 815 CB ASP A 650 15.211 -0.549 5.711 1.00 63.20 C ATOM 816 CG ASP A 650 15.940 0.240 6.782 1.00 51.42 C ATOM 817 OD1 ASP A 650 15.867 -0.156 7.964 1.00 61.30 O ATOM 818 OD2 ASP A 650 16.582 1.253 6.437 1.00 11.20 O ATOM 0 H ASP A 650 13.848 -0.584 7.834 1.00 41.22 H new ATOM 0 HA ASP A 650 13.448 0.559 5.189 1.00 13.42 H new ATOM 0 HB2 ASP A 650 15.430 -1.610 5.833 1.00 63.20 H new ATOM 0 HB3 ASP A 650 15.586 -0.257 4.730 1.00 63.20 H new ATOM 823 N GLU A 651 12.021 -2.087 5.845 1.00 14.11 N ATOM 824 CA GLU A 651 11.265 -3.233 5.353 1.00 12.20 C ATOM 825 C GLU A 651 9.816 -3.174 5.829 1.00 60.14 C ATOM 826 O GLU A 651 9.546 -2.865 6.990 1.00 31.21 O ATOM 827 CB GLU A 651 11.914 -4.538 5.817 1.00 34.11 C ATOM 828 CG GLU A 651 11.526 -5.743 4.977 1.00 45.10 C ATOM 829 CD GLU A 651 11.912 -7.057 5.629 1.00 1.20 C ATOM 830 OE1 GLU A 651 11.936 -7.115 6.876 1.00 31.20 O ATOM 831 OE2 GLU A 651 12.191 -8.026 4.893 1.00 72.42 O ATOM 0 H GLU A 651 11.745 -1.767 6.773 1.00 14.11 H new ATOM 0 HA GLU A 651 11.273 -3.200 4.264 1.00 12.20 H new ATOM 0 HB2 GLU A 651 12.998 -4.423 5.794 1.00 34.11 H new ATOM 0 HB3 GLU A 651 11.635 -4.724 6.854 1.00 34.11 H new ATOM 0 HG2 GLU A 651 10.450 -5.730 4.804 1.00 45.10 H new ATOM 0 HG3 GLU A 651 12.006 -5.671 4.001 1.00 45.10 H new ATOM 838 N ILE A 652 8.890 -3.474 4.924 1.00 12.41 N ATOM 839 CA ILE A 652 7.470 -3.456 5.252 1.00 51.03 C ATOM 840 C ILE A 652 6.727 -4.580 4.537 1.00 13.42 C ATOM 841 O ILE A 652 7.018 -4.893 3.383 1.00 33.41 O ATOM 842 CB ILE A 652 6.823 -2.109 4.879 1.00 71.14 C ATOM 843 CG1 ILE A 652 5.890 -1.639 5.996 1.00 1.32 C ATOM 844 CG2 ILE A 652 6.064 -2.231 3.565 1.00 64.44 C ATOM 845 CD1 ILE A 652 4.425 -1.871 5.698 1.00 4.15 C ATOM 0 H ILE A 652 9.098 -3.732 3.959 1.00 12.41 H new ATOM 0 HA ILE A 652 7.393 -3.600 6.330 1.00 51.03 H new ATOM 0 HB ILE A 652 7.612 -1.367 4.754 1.00 71.14 H new ATOM 0 HG12 ILE A 652 6.151 -2.157 6.919 1.00 1.32 H new ATOM 0 HG13 ILE A 652 6.053 -0.576 6.171 1.00 1.32 H new ATOM 0 HG21 ILE A 652 5.612 -1.271 3.315 1.00 64.44 H new ATOM 0 HG22 ILE A 652 6.753 -2.525 2.773 1.00 64.44 H new ATOM 0 HG23 ILE A 652 5.283 -2.984 3.665 1.00 64.44 H new ATOM 0 HD11 ILE A 652 3.823 -1.514 6.533 1.00 4.15 H new ATOM 0 HD12 ILE A 652 4.148 -1.330 4.793 1.00 4.15 H new ATOM 0 HD13 ILE A 652 4.248 -2.937 5.553 1.00 4.15 H new ATOM 857 N GLU A 653 5.765 -5.180 5.231 1.00 72.24 N ATOM 858 CA GLU A 653 4.979 -6.269 4.660 1.00 23.01 C ATOM 859 C GLU A 653 3.503 -5.891 4.584 1.00 71.05 C ATOM 860 O GLU A 653 2.773 -5.992 5.571 1.00 72.32 O ATOM 861 CB GLU A 653 5.149 -7.541 5.493 1.00 4.43 C ATOM 862 CG GLU A 653 4.118 -8.613 5.185 1.00 11.24 C ATOM 863 CD GLU A 653 4.504 -9.971 5.738 1.00 44.31 C ATOM 864 OE1 GLU A 653 4.582 -10.108 6.976 1.00 2.42 O ATOM 865 OE2 GLU A 653 4.730 -10.897 4.931 1.00 55.42 O ATOM 0 H GLU A 653 5.511 -4.932 6.187 1.00 72.24 H new ATOM 0 HA GLU A 653 5.342 -6.455 3.649 1.00 23.01 H new ATOM 0 HB2 GLU A 653 6.146 -7.947 5.321 1.00 4.43 H new ATOM 0 HB3 GLU A 653 5.088 -7.283 6.550 1.00 4.43 H new ATOM 0 HG2 GLU A 653 3.155 -8.316 5.601 1.00 11.24 H new ATOM 0 HG3 GLU A 653 3.989 -8.688 4.105 1.00 11.24 H new ATOM 872 N ILE A 654 3.070 -5.456 3.405 1.00 50.01 N ATOM 873 CA ILE A 654 1.681 -5.065 3.198 1.00 4.45 C ATOM 874 C ILE A 654 0.841 -6.246 2.725 1.00 42.35 C ATOM 875 O ILE A 654 0.977 -6.700 1.589 1.00 55.10 O ATOM 876 CB ILE A 654 1.565 -3.921 2.173 1.00 75.24 C ATOM 877 CG1 ILE A 654 2.409 -2.724 2.612 1.00 31.14 C ATOM 878 CG2 ILE A 654 0.109 -3.514 1.997 1.00 62.44 C ATOM 879 CD1 ILE A 654 3.539 -2.399 1.661 1.00 53.44 C ATOM 0 H ILE A 654 3.661 -5.366 2.579 1.00 50.01 H new ATOM 0 HA ILE A 654 1.304 -4.718 4.160 1.00 4.45 H new ATOM 0 HB ILE A 654 1.943 -4.274 1.213 1.00 75.24 H new ATOM 0 HG12 ILE A 654 1.764 -1.851 2.708 1.00 31.14 H new ATOM 0 HG13 ILE A 654 2.823 -2.925 3.600 1.00 31.14 H new ATOM 0 HG21 ILE A 654 0.043 -2.705 1.270 1.00 62.44 H new ATOM 0 HG22 ILE A 654 -0.467 -4.369 1.642 1.00 62.44 H new ATOM 0 HG23 ILE A 654 -0.293 -3.177 2.953 1.00 62.44 H new ATOM 0 HD11 ILE A 654 4.094 -1.539 2.036 1.00 53.44 H new ATOM 0 HD12 ILE A 654 4.207 -3.257 1.583 1.00 53.44 H new ATOM 0 HD13 ILE A 654 3.131 -2.166 0.677 1.00 53.44 H new ATOM 891 N ASP A 655 -0.027 -6.736 3.602 1.00 32.41 N ATOM 892 CA ASP A 655 -0.892 -7.864 3.273 1.00 51.02 C ATOM 893 C ASP A 655 -2.342 -7.411 3.128 1.00 71.40 C ATOM 894 O ASP A 655 -3.068 -7.293 4.115 1.00 1.42 O ATOM 895 CB ASP A 655 -0.788 -8.946 4.348 1.00 4.54 C ATOM 896 CG ASP A 655 0.461 -8.800 5.197 1.00 75.23 C ATOM 897 OD1 ASP A 655 0.510 -7.865 6.024 1.00 70.42 O ATOM 898 OD2 ASP A 655 1.389 -9.620 5.033 1.00 13.34 O ATOM 0 H ASP A 655 -0.151 -6.371 4.546 1.00 32.41 H new ATOM 0 HA ASP A 655 -0.561 -8.278 2.320 1.00 51.02 H new ATOM 0 HB2 ASP A 655 -1.668 -8.902 4.990 1.00 4.54 H new ATOM 0 HB3 ASP A 655 -0.789 -9.927 3.873 1.00 4.54 H new ATOM 903 N PHE A 656 -2.758 -7.161 1.891 1.00 44.31 N ATOM 904 CA PHE A 656 -4.120 -6.719 1.617 1.00 23.30 C ATOM 905 C PHE A 656 -5.136 -7.713 2.174 1.00 42.23 C ATOM 906 O PHE A 656 -6.269 -7.348 2.484 1.00 31.24 O ATOM 907 CB PHE A 656 -4.330 -6.549 0.110 1.00 23.32 C ATOM 908 CG PHE A 656 -3.784 -5.257 -0.428 1.00 71.12 C ATOM 909 CD1 PHE A 656 -2.974 -4.452 0.355 1.00 50.32 C ATOM 910 CD2 PHE A 656 -4.082 -4.849 -1.718 1.00 52.54 C ATOM 911 CE1 PHE A 656 -2.471 -3.263 -0.138 1.00 1.13 C ATOM 912 CE2 PHE A 656 -3.581 -3.662 -2.217 1.00 40.42 C ATOM 913 CZ PHE A 656 -2.776 -2.867 -1.425 1.00 42.41 C ATOM 0 H PHE A 656 -2.171 -7.257 1.062 1.00 44.31 H new ATOM 0 HA PHE A 656 -4.270 -5.758 2.109 1.00 23.30 H new ATOM 0 HB2 PHE A 656 -3.855 -7.380 -0.411 1.00 23.32 H new ATOM 0 HB3 PHE A 656 -5.396 -6.603 -0.109 1.00 23.32 H new ATOM 0 HD1 PHE A 656 -2.733 -4.757 1.363 1.00 50.32 H new ATOM 0 HD2 PHE A 656 -4.713 -5.466 -2.341 1.00 52.54 H new ATOM 0 HE1 PHE A 656 -1.840 -2.644 0.483 1.00 1.13 H new ATOM 0 HE2 PHE A 656 -3.819 -3.356 -3.225 1.00 40.42 H new ATOM 0 HZ PHE A 656 -2.386 -1.937 -1.812 1.00 42.41 H new ATOM 923 N GLU A 657 -4.720 -8.969 2.296 1.00 5.23 N ATOM 924 CA GLU A 657 -5.593 -10.015 2.814 1.00 15.23 C ATOM 925 C GLU A 657 -6.112 -9.652 4.203 1.00 34.04 C ATOM 926 O GLU A 657 -7.279 -9.885 4.523 1.00 63.00 O ATOM 927 CB GLU A 657 -4.850 -11.351 2.870 1.00 63.31 C ATOM 928 CG GLU A 657 -5.747 -12.558 2.650 1.00 51.44 C ATOM 929 CD GLU A 657 -5.152 -13.837 3.205 1.00 14.03 C ATOM 930 OE1 GLU A 657 -5.156 -14.006 4.442 1.00 4.00 O ATOM 931 OE2 GLU A 657 -4.682 -14.669 2.400 1.00 15.35 O ATOM 0 H GLU A 657 -3.784 -9.287 2.043 1.00 5.23 H new ATOM 0 HA GLU A 657 -6.444 -10.109 2.139 1.00 15.23 H new ATOM 0 HB2 GLU A 657 -4.064 -11.351 2.115 1.00 63.31 H new ATOM 0 HB3 GLU A 657 -4.361 -11.445 3.840 1.00 63.31 H new ATOM 0 HG2 GLU A 657 -6.714 -12.378 3.120 1.00 51.44 H new ATOM 0 HG3 GLU A 657 -5.930 -12.680 1.582 1.00 51.44 H new ATOM 938 N THR A 658 -5.237 -9.081 5.025 1.00 54.51 N ATOM 939 CA THR A 658 -5.606 -8.687 6.379 1.00 45.43 C ATOM 940 C THR A 658 -5.789 -7.177 6.481 1.00 3.32 C ATOM 941 O THR A 658 -6.434 -6.681 7.406 1.00 3.30 O ATOM 942 CB THR A 658 -4.545 -9.135 7.402 1.00 3.24 C ATOM 943 OG1 THR A 658 -4.964 -8.786 8.726 1.00 21.22 O ATOM 944 CG2 THR A 658 -3.200 -8.489 7.105 1.00 60.34 C ATOM 0 H THR A 658 -4.268 -8.881 4.777 1.00 54.51 H new ATOM 0 HA THR A 658 -6.551 -9.181 6.606 1.00 45.43 H new ATOM 0 HB THR A 658 -4.435 -10.217 7.328 1.00 3.24 H new ATOM 0 HG1 THR A 658 -4.285 -9.075 9.371 1.00 21.22 H new ATOM 0 HG21 THR A 658 -2.467 -8.820 7.840 1.00 60.34 H new ATOM 0 HG22 THR A 658 -2.870 -8.779 6.107 1.00 60.34 H new ATOM 0 HG23 THR A 658 -3.298 -7.405 7.154 1.00 60.34 H new ATOM 952 N LEU A 659 -5.218 -6.450 5.527 1.00 70.22 N ATOM 953 CA LEU A 659 -5.319 -4.995 5.510 1.00 64.45 C ATOM 954 C LEU A 659 -6.778 -4.550 5.525 1.00 11.43 C ATOM 955 O LEU A 659 -7.642 -5.193 4.929 1.00 62.01 O ATOM 956 CB LEU A 659 -4.616 -4.430 4.275 1.00 60.44 C ATOM 957 CG LEU A 659 -3.925 -3.078 4.455 1.00 1.21 C ATOM 958 CD1 LEU A 659 -2.775 -3.193 5.443 1.00 30.11 C ATOM 959 CD2 LEU A 659 -3.429 -2.549 3.117 1.00 60.31 C ATOM 0 H LEU A 659 -4.680 -6.844 4.755 1.00 70.22 H new ATOM 0 HA LEU A 659 -4.832 -4.611 6.406 1.00 64.45 H new ATOM 0 HB2 LEU A 659 -3.872 -5.154 3.942 1.00 60.44 H new ATOM 0 HB3 LEU A 659 -5.350 -4.336 3.475 1.00 60.44 H new ATOM 0 HG LEU A 659 -4.652 -2.372 4.855 1.00 1.21 H new ATOM 0 HD11 LEU A 659 -2.296 -2.221 5.558 1.00 30.11 H new ATOM 0 HD12 LEU A 659 -3.157 -3.526 6.408 1.00 30.11 H new ATOM 0 HD13 LEU A 659 -2.047 -3.915 5.072 1.00 30.11 H new ATOM 0 HD21 LEU A 659 -2.940 -1.586 3.265 1.00 60.31 H new ATOM 0 HD22 LEU A 659 -2.718 -3.255 2.688 1.00 60.31 H new ATOM 0 HD23 LEU A 659 -4.273 -2.427 2.439 1.00 60.31 H new ATOM 971 N LYS A 660 -7.046 -3.444 6.212 1.00 35.45 N ATOM 972 CA LYS A 660 -8.400 -2.910 6.305 1.00 51.54 C ATOM 973 C LYS A 660 -8.691 -1.964 5.144 1.00 13.50 C ATOM 974 O LYS A 660 -7.785 -1.472 4.470 1.00 73.32 O ATOM 975 CB LYS A 660 -8.592 -2.177 7.634 1.00 62.32 C ATOM 976 CG LYS A 660 -9.411 -2.959 8.647 1.00 74.33 C ATOM 977 CD LYS A 660 -8.529 -3.584 9.715 1.00 74.40 C ATOM 978 CE LYS A 660 -8.019 -2.541 10.695 1.00 2.14 C ATOM 979 NZ LYS A 660 -7.112 -3.136 11.716 1.00 33.32 N ATOM 0 H LYS A 660 -6.343 -2.900 6.713 1.00 35.45 H new ATOM 0 HA LYS A 660 -9.098 -3.746 6.255 1.00 51.54 H new ATOM 0 HB2 LYS A 660 -7.614 -1.956 8.062 1.00 62.32 H new ATOM 0 HB3 LYS A 660 -9.080 -1.221 7.445 1.00 62.32 H new ATOM 0 HG2 LYS A 660 -10.139 -2.297 9.117 1.00 74.33 H new ATOM 0 HG3 LYS A 660 -9.974 -3.740 8.136 1.00 74.33 H new ATOM 0 HD2 LYS A 660 -9.092 -4.346 10.253 1.00 74.40 H new ATOM 0 HD3 LYS A 660 -7.684 -4.086 9.243 1.00 74.40 H new ATOM 0 HE2 LYS A 660 -7.490 -1.759 10.150 1.00 2.14 H new ATOM 0 HE3 LYS A 660 -8.864 -2.066 11.193 1.00 2.14 H new ATOM 0 HZ1 LYS A 660 -6.785 -2.392 12.366 1.00 33.32 H new ATOM 0 HZ2 LYS A 660 -7.624 -3.865 12.253 1.00 33.32 H new ATOM 0 HZ3 LYS A 660 -6.292 -3.567 11.243 1.00 33.32 H new ATOM 993 N PRO A 661 -9.984 -1.699 4.906 1.00 53.34 N ATOM 994 CA PRO A 661 -10.424 -0.808 3.828 1.00 4.20 C ATOM 995 C PRO A 661 -10.075 0.651 4.104 1.00 51.23 C ATOM 996 O PRO A 661 -9.801 1.419 3.181 1.00 13.12 O ATOM 997 CB PRO A 661 -11.942 -0.999 3.806 1.00 34.04 C ATOM 998 CG PRO A 661 -12.288 -1.439 5.187 1.00 75.51 C ATOM 999 CD PRO A 661 -11.116 -2.249 5.670 1.00 72.53 C ATOM 0 HA PRO A 661 -9.938 -1.043 2.881 1.00 4.20 H new ATOM 0 HB2 PRO A 661 -12.454 -0.073 3.546 1.00 34.04 H new ATOM 0 HB3 PRO A 661 -12.237 -1.744 3.067 1.00 34.04 H new ATOM 0 HG2 PRO A 661 -12.464 -0.582 5.837 1.00 75.51 H new ATOM 0 HG3 PRO A 661 -13.201 -2.034 5.190 1.00 75.51 H new ATOM 0 HD2 PRO A 661 -10.967 -2.139 6.744 1.00 72.53 H new ATOM 0 HD3 PRO A 661 -11.254 -3.312 5.474 1.00 72.53 H new ATOM 1007 N SER A 662 -10.087 1.027 5.378 1.00 23.44 N ATOM 1008 CA SER A 662 -9.775 2.395 5.775 1.00 53.34 C ATOM 1009 C SER A 662 -8.387 2.798 5.288 1.00 3.14 C ATOM 1010 O SER A 662 -8.191 3.901 4.776 1.00 61.31 O ATOM 1011 CB SER A 662 -9.857 2.539 7.296 1.00 45.21 C ATOM 1012 OG SER A 662 -10.636 3.665 7.661 1.00 43.23 O ATOM 0 H SER A 662 -10.310 0.403 6.154 1.00 23.44 H new ATOM 0 HA SER A 662 -10.509 3.057 5.315 1.00 53.34 H new ATOM 0 HB2 SER A 662 -10.292 1.637 7.727 1.00 45.21 H new ATOM 0 HB3 SER A 662 -8.853 2.638 7.710 1.00 45.21 H new ATOM 0 HG SER A 662 -10.674 3.734 8.638 1.00 43.23 H new ATOM 1018 N THR A 663 -7.423 1.897 5.452 1.00 33.13 N ATOM 1019 CA THR A 663 -6.053 2.157 5.032 1.00 61.03 C ATOM 1020 C THR A 663 -5.928 2.122 3.513 1.00 43.21 C ATOM 1021 O THR A 663 -5.268 2.973 2.914 1.00 1.25 O ATOM 1022 CB THR A 663 -5.075 1.134 5.641 1.00 63.32 C ATOM 1023 OG1 THR A 663 -5.277 1.043 7.055 1.00 12.32 O ATOM 1024 CG2 THR A 663 -3.633 1.527 5.354 1.00 71.23 C ATOM 0 H THR A 663 -7.567 0.979 5.874 1.00 33.13 H new ATOM 0 HA THR A 663 -5.795 3.153 5.392 1.00 61.03 H new ATOM 0 HB THR A 663 -5.269 0.164 5.184 1.00 63.32 H new ATOM 0 HG1 THR A 663 -5.209 0.106 7.336 1.00 12.32 H new ATOM 0 HG21 THR A 663 -2.961 0.790 5.794 1.00 71.23 H new ATOM 0 HG22 THR A 663 -3.474 1.566 4.276 1.00 71.23 H new ATOM 0 HG23 THR A 663 -3.430 2.507 5.786 1.00 71.23 H new ATOM 1032 N LEU A 664 -6.564 1.134 2.895 1.00 62.04 N ATOM 1033 CA LEU A 664 -6.524 0.989 1.443 1.00 53.00 C ATOM 1034 C LEU A 664 -6.925 2.289 0.755 1.00 42.55 C ATOM 1035 O LEU A 664 -6.150 2.863 -0.009 1.00 64.22 O ATOM 1036 CB LEU A 664 -7.452 -0.144 0.999 1.00 31.12 C ATOM 1037 CG LEU A 664 -6.849 -1.166 0.035 1.00 44.03 C ATOM 1038 CD1 LEU A 664 -6.991 -2.574 0.591 1.00 12.14 C ATOM 1039 CD2 LEU A 664 -7.507 -1.062 -1.333 1.00 11.30 C ATOM 0 H LEU A 664 -7.113 0.421 3.375 1.00 62.04 H new ATOM 0 HA LEU A 664 -5.501 0.748 1.154 1.00 53.00 H new ATOM 0 HB2 LEU A 664 -7.798 -0.672 1.887 1.00 31.12 H new ATOM 0 HB3 LEU A 664 -8.330 0.296 0.527 1.00 31.12 H new ATOM 0 HG LEU A 664 -5.787 -0.948 -0.077 1.00 44.03 H new ATOM 0 HD11 LEU A 664 -6.556 -3.287 -0.109 1.00 12.14 H new ATOM 0 HD12 LEU A 664 -6.472 -2.642 1.547 1.00 12.14 H new ATOM 0 HD13 LEU A 664 -8.047 -2.804 0.734 1.00 12.14 H new ATOM 0 HD21 LEU A 664 -7.065 -1.797 -2.006 1.00 11.30 H new ATOM 0 HD22 LEU A 664 -8.576 -1.253 -1.238 1.00 11.30 H new ATOM 0 HD23 LEU A 664 -7.352 -0.061 -1.736 1.00 11.30 H new ATOM 1051 N ARG A 665 -8.140 2.749 1.033 1.00 54.54 N ATOM 1052 CA ARG A 665 -8.644 3.983 0.441 1.00 45.31 C ATOM 1053 C ARG A 665 -7.672 5.136 0.678 1.00 75.40 C ATOM 1054 O ARG A 665 -7.479 5.985 -0.191 1.00 14.41 O ATOM 1055 CB ARG A 665 -10.015 4.330 1.021 1.00 15.25 C ATOM 1056 CG ARG A 665 -10.904 5.109 0.065 1.00 42.24 C ATOM 1057 CD ARG A 665 -12.377 4.897 0.374 1.00 14.44 C ATOM 1058 NE ARG A 665 -12.978 6.069 1.006 1.00 24.35 N ATOM 1059 CZ ARG A 665 -13.275 7.185 0.350 1.00 11.31 C ATOM 1060 NH1 ARG A 665 -13.029 7.281 -0.949 1.00 25.03 N ATOM 1061 NH2 ARG A 665 -13.820 8.209 0.995 1.00 42.11 N ATOM 0 H ARG A 665 -8.794 2.286 1.664 1.00 54.54 H new ATOM 0 HA ARG A 665 -8.742 3.827 -0.633 1.00 45.31 H new ATOM 0 HB2 ARG A 665 -10.523 3.409 1.306 1.00 15.25 H new ATOM 0 HB3 ARG A 665 -9.877 4.913 1.932 1.00 15.25 H new ATOM 0 HG2 ARG A 665 -10.667 6.171 0.130 1.00 42.24 H new ATOM 0 HG3 ARG A 665 -10.698 4.799 -0.959 1.00 42.24 H new ATOM 0 HD2 ARG A 665 -12.912 4.668 -0.548 1.00 14.44 H new ATOM 0 HD3 ARG A 665 -12.489 4.034 1.030 1.00 14.44 H new ATOM 0 HE ARG A 665 -13.180 6.028 2.005 1.00 24.35 H new ATOM 0 HH11 ARG A 665 -12.610 6.496 -1.448 1.00 25.03 H new ATOM 0 HH12 ARG A 665 -13.258 8.140 -1.449 1.00 25.03 H new ATOM 0 HH21 ARG A 665 -14.011 8.139 1.995 1.00 42.11 H new ATOM 0 HH22 ARG A 665 -14.048 9.066 0.491 1.00 42.11 H new ATOM 1075 N GLU A 666 -7.065 5.157 1.860 1.00 4.15 N ATOM 1076 CA GLU A 666 -6.115 6.206 2.211 1.00 2.41 C ATOM 1077 C GLU A 666 -5.015 6.318 1.160 1.00 24.02 C ATOM 1078 O GLU A 666 -4.510 7.408 0.886 1.00 20.12 O ATOM 1079 CB GLU A 666 -5.499 5.929 3.584 1.00 75.52 C ATOM 1080 CG GLU A 666 -4.964 7.172 4.274 1.00 42.13 C ATOM 1081 CD GLU A 666 -6.065 8.030 4.867 1.00 52.10 C ATOM 1082 OE1 GLU A 666 -6.906 7.483 5.612 1.00 4.41 O ATOM 1083 OE2 GLU A 666 -6.086 9.247 4.587 1.00 75.41 O ATOM 0 H GLU A 666 -7.214 4.460 2.590 1.00 4.15 H new ATOM 0 HA GLU A 666 -6.655 7.152 2.248 1.00 2.41 H new ATOM 0 HB2 GLU A 666 -6.250 5.464 4.223 1.00 75.52 H new ATOM 0 HB3 GLU A 666 -4.688 5.210 3.470 1.00 75.52 H new ATOM 0 HG2 GLU A 666 -4.274 6.876 5.064 1.00 42.13 H new ATOM 0 HG3 GLU A 666 -4.394 7.763 3.558 1.00 42.13 H new ATOM 1090 N LEU A 667 -4.646 5.183 0.576 1.00 5.51 N ATOM 1091 CA LEU A 667 -3.605 5.151 -0.444 1.00 44.42 C ATOM 1092 C LEU A 667 -4.131 5.676 -1.777 1.00 21.33 C ATOM 1093 O LEU A 667 -3.580 6.618 -2.345 1.00 42.13 O ATOM 1094 CB LEU A 667 -3.075 3.727 -0.618 1.00 32.44 C ATOM 1095 CG LEU A 667 -3.073 2.854 0.639 1.00 55.43 C ATOM 1096 CD1 LEU A 667 -2.532 1.468 0.325 1.00 42.32 C ATOM 1097 CD2 LEU A 667 -2.257 3.511 1.742 1.00 63.30 C ATOM 0 H LEU A 667 -5.053 4.273 0.792 1.00 5.51 H new ATOM 0 HA LEU A 667 -2.791 5.797 -0.115 1.00 44.42 H new ATOM 0 HB2 LEU A 667 -3.673 3.229 -1.381 1.00 32.44 H new ATOM 0 HB3 LEU A 667 -2.055 3.784 -0.998 1.00 32.44 H new ATOM 0 HG LEU A 667 -4.100 2.749 0.988 1.00 55.43 H new ATOM 0 HD11 LEU A 667 -2.538 0.861 1.231 1.00 42.32 H new ATOM 0 HD12 LEU A 667 -3.158 0.996 -0.432 1.00 42.32 H new ATOM 0 HD13 LEU A 667 -1.512 1.552 -0.049 1.00 42.32 H new ATOM 0 HD21 LEU A 667 -2.266 2.877 2.628 1.00 63.30 H new ATOM 0 HD22 LEU A 667 -1.230 3.646 1.403 1.00 63.30 H new ATOM 0 HD23 LEU A 667 -2.689 4.481 1.986 1.00 63.30 H new ATOM 1109 N GLU A 668 -5.202 5.060 -2.267 1.00 22.20 N ATOM 1110 CA GLU A 668 -5.804 5.466 -3.532 1.00 1.34 C ATOM 1111 C GLU A 668 -6.085 6.967 -3.543 1.00 22.51 C ATOM 1112 O GLU A 668 -6.042 7.609 -4.592 1.00 71.14 O ATOM 1113 CB GLU A 668 -7.100 4.692 -3.778 1.00 22.24 C ATOM 1114 CG GLU A 668 -7.510 4.640 -5.240 1.00 13.31 C ATOM 1115 CD GLU A 668 -7.876 3.241 -5.694 1.00 62.25 C ATOM 1116 OE1 GLU A 668 -8.281 2.427 -4.839 1.00 74.12 O ATOM 1117 OE2 GLU A 668 -7.754 2.959 -6.905 1.00 12.34 O ATOM 0 H GLU A 668 -5.670 4.279 -1.808 1.00 22.20 H new ATOM 0 HA GLU A 668 -5.098 5.239 -4.331 1.00 1.34 H new ATOM 0 HB2 GLU A 668 -6.982 3.674 -3.406 1.00 22.24 H new ATOM 0 HB3 GLU A 668 -7.902 5.151 -3.200 1.00 22.24 H new ATOM 0 HG2 GLU A 668 -8.360 5.303 -5.399 1.00 13.31 H new ATOM 0 HG3 GLU A 668 -6.693 5.016 -5.856 1.00 13.31 H new ATOM 1124 N ARG A 669 -6.374 7.518 -2.369 1.00 25.44 N ATOM 1125 CA ARG A 669 -6.664 8.941 -2.243 1.00 42.15 C ATOM 1126 C ARG A 669 -5.391 9.770 -2.386 1.00 3.11 C ATOM 1127 O ARG A 669 -5.415 10.874 -2.930 1.00 1.42 O ATOM 1128 CB ARG A 669 -7.327 9.231 -0.896 1.00 3.32 C ATOM 1129 CG ARG A 669 -8.766 9.704 -1.014 1.00 20.30 C ATOM 1130 CD ARG A 669 -9.412 9.870 0.353 1.00 3.22 C ATOM 1131 NE ARG A 669 -9.206 11.210 0.897 1.00 42.43 N ATOM 1132 CZ ARG A 669 -9.823 12.292 0.436 1.00 41.11 C ATOM 1133 NH1 ARG A 669 -10.681 12.193 -0.570 1.00 62.34 N ATOM 1134 NH2 ARG A 669 -9.584 13.477 0.983 1.00 4.52 N ATOM 0 H ARG A 669 -6.414 7.000 -1.491 1.00 25.44 H new ATOM 0 HA ARG A 669 -7.349 9.219 -3.044 1.00 42.15 H new ATOM 0 HB2 ARG A 669 -7.299 8.329 -0.285 1.00 3.32 H new ATOM 0 HB3 ARG A 669 -6.746 9.989 -0.371 1.00 3.32 H new ATOM 0 HG2 ARG A 669 -8.795 10.653 -1.549 1.00 20.30 H new ATOM 0 HG3 ARG A 669 -9.338 8.988 -1.604 1.00 20.30 H new ATOM 0 HD2 ARG A 669 -10.481 9.671 0.275 1.00 3.22 H new ATOM 0 HD3 ARG A 669 -8.999 9.132 1.041 1.00 3.22 H new ATOM 0 HE ARG A 669 -8.553 11.321 1.673 1.00 42.43 H new ATOM 0 HH11 ARG A 669 -10.869 11.284 -0.992 1.00 62.34 H new ATOM 0 HH12 ARG A 669 -11.153 13.026 -0.922 1.00 62.34 H new ATOM 0 HH21 ARG A 669 -8.926 13.558 1.758 1.00 4.52 H new ATOM 0 HH22 ARG A 669 -10.058 14.307 0.628 1.00 4.52 H new ATOM 1148 N TYR A 670 -4.282 9.230 -1.893 1.00 24.13 N ATOM 1149 CA TYR A 670 -3.000 9.921 -1.962 1.00 65.22 C ATOM 1150 C TYR A 670 -2.381 9.785 -3.350 1.00 31.55 C ATOM 1151 O TYR A 670 -1.954 10.769 -3.952 1.00 3.41 O ATOM 1152 CB TYR A 670 -2.040 9.366 -0.907 1.00 43.11 C ATOM 1153 CG TYR A 670 -1.943 10.224 0.333 1.00 10.44 C ATOM 1154 CD1 TYR A 670 -3.084 10.601 1.032 1.00 73.21 C ATOM 1155 CD2 TYR A 670 -0.712 10.659 0.807 1.00 2.33 C ATOM 1156 CE1 TYR A 670 -3.001 11.386 2.166 1.00 21.55 C ATOM 1157 CE2 TYR A 670 -0.619 11.443 1.941 1.00 22.23 C ATOM 1158 CZ TYR A 670 -1.766 11.803 2.618 1.00 63.34 C ATOM 1159 OH TYR A 670 -1.678 12.585 3.746 1.00 4.03 O ATOM 0 H TYR A 670 -4.245 8.316 -1.441 1.00 24.13 H new ATOM 0 HA TYR A 670 -3.175 10.978 -1.764 1.00 65.22 H new ATOM 0 HB2 TYR A 670 -2.365 8.366 -0.622 1.00 43.11 H new ATOM 0 HB3 TYR A 670 -1.048 9.265 -1.347 1.00 43.11 H new ATOM 0 HD1 TYR A 670 -4.052 10.275 0.682 1.00 73.21 H new ATOM 0 HD2 TYR A 670 0.188 10.380 0.280 1.00 2.33 H new ATOM 0 HE1 TYR A 670 -3.898 11.672 2.696 1.00 21.55 H new ATOM 0 HE2 TYR A 670 0.347 11.772 2.296 1.00 22.23 H new ATOM 0 HH TYR A 670 -0.737 12.791 3.929 1.00 4.03 H new ATOM 1169 N VAL A 671 -2.338 8.554 -3.853 1.00 12.42 N ATOM 1170 CA VAL A 671 -1.774 8.286 -5.170 1.00 52.23 C ATOM 1171 C VAL A 671 -2.430 9.158 -6.237 1.00 23.15 C ATOM 1172 O VAL A 671 -1.785 9.568 -7.203 1.00 33.22 O ATOM 1173 CB VAL A 671 -1.938 6.806 -5.562 1.00 14.44 C ATOM 1174 CG1 VAL A 671 -3.404 6.478 -5.805 1.00 42.04 C ATOM 1175 CG2 VAL A 671 -1.100 6.483 -6.788 1.00 64.14 C ATOM 0 H VAL A 671 -2.687 7.728 -3.368 1.00 12.42 H new ATOM 0 HA VAL A 671 -0.712 8.523 -5.112 1.00 52.23 H new ATOM 0 HB VAL A 671 -1.584 6.188 -4.737 1.00 14.44 H new ATOM 0 HG11 VAL A 671 -3.501 5.428 -6.081 1.00 42.04 H new ATOM 0 HG12 VAL A 671 -3.975 6.669 -4.896 1.00 42.04 H new ATOM 0 HG13 VAL A 671 -3.788 7.102 -6.612 1.00 42.04 H new ATOM 0 HG21 VAL A 671 -1.229 5.433 -7.050 1.00 64.14 H new ATOM 0 HG22 VAL A 671 -1.420 7.107 -7.622 1.00 64.14 H new ATOM 0 HG23 VAL A 671 -0.049 6.677 -6.572 1.00 64.14 H new ATOM 1185 N THR A 672 -3.716 9.439 -6.054 1.00 72.10 N ATOM 1186 CA THR A 672 -4.461 10.261 -6.999 1.00 51.32 C ATOM 1187 C THR A 672 -4.227 11.745 -6.740 1.00 52.14 C ATOM 1188 O THR A 672 -4.205 12.551 -7.670 1.00 73.32 O ATOM 1189 CB THR A 672 -5.971 9.970 -6.928 1.00 53.22 C ATOM 1190 OG1 THR A 672 -6.203 8.560 -7.006 1.00 72.20 O ATOM 1191 CG2 THR A 672 -6.712 10.674 -8.057 1.00 44.21 C ATOM 0 H THR A 672 -4.264 9.109 -5.259 1.00 72.10 H new ATOM 0 HA THR A 672 -4.097 10.007 -7.995 1.00 51.32 H new ATOM 0 HB THR A 672 -6.346 10.347 -5.977 1.00 53.22 H new ATOM 0 HG1 THR A 672 -6.463 8.222 -6.124 1.00 72.20 H new ATOM 0 HG21 THR A 672 -7.777 10.454 -7.986 1.00 44.21 H new ATOM 0 HG22 THR A 672 -6.558 11.750 -7.978 1.00 44.21 H new ATOM 0 HG23 THR A 672 -6.332 10.323 -9.016 1.00 44.21 H new ATOM 1199 N SER A 673 -4.053 12.099 -5.471 1.00 63.45 N ATOM 1200 CA SER A 673 -3.823 13.488 -5.090 1.00 34.23 C ATOM 1201 C SER A 673 -2.425 13.940 -5.500 1.00 74.10 C ATOM 1202 O SER A 673 -2.216 15.100 -5.858 1.00 40.04 O ATOM 1203 CB SER A 673 -4.005 13.660 -3.581 1.00 1.45 C ATOM 1204 OG SER A 673 -5.326 14.068 -3.270 1.00 13.13 O ATOM 0 H SER A 673 -4.067 11.444 -4.689 1.00 63.45 H new ATOM 0 HA SER A 673 -4.553 14.108 -5.611 1.00 34.23 H new ATOM 0 HB2 SER A 673 -3.783 12.720 -3.075 1.00 1.45 H new ATOM 0 HB3 SER A 673 -3.296 14.399 -3.208 1.00 1.45 H new ATOM 0 HG SER A 673 -5.417 14.169 -2.300 1.00 13.13 H new ATOM 1210 N CYS A 674 -1.472 13.017 -5.445 1.00 43.11 N ATOM 1211 CA CYS A 674 -0.092 13.319 -5.810 1.00 2.21 C ATOM 1212 C CYS A 674 0.111 13.197 -7.317 1.00 54.11 C ATOM 1213 O CYS A 674 0.644 14.105 -7.958 1.00 32.41 O ATOM 1214 CB CYS A 674 0.869 12.383 -5.077 1.00 3.34 C ATOM 1215 SG CYS A 674 0.736 12.455 -3.274 1.00 21.21 S ATOM 0 H CYS A 674 -1.629 12.053 -5.151 1.00 43.11 H new ATOM 0 HA CYS A 674 0.118 14.347 -5.515 1.00 2.21 H new ATOM 0 HB2 CYS A 674 0.683 11.360 -5.404 1.00 3.34 H new ATOM 0 HB3 CYS A 674 1.891 12.630 -5.366 1.00 3.34 H new ATOM 0 HG CYS A 674 -0.342 11.837 -2.893 1.00 21.21 H new ATOM 1221 N LEU A 675 -0.315 12.071 -7.876 1.00 73.43 N ATOM 1222 CA LEU A 675 -0.180 11.829 -9.309 1.00 25.33 C ATOM 1223 C LEU A 675 -1.116 12.730 -10.105 1.00 73.30 C ATOM 1224 O LEU A 675 -0.836 13.076 -11.253 1.00 24.51 O ATOM 1225 CB LEU A 675 -0.472 10.361 -9.628 1.00 1.34 C ATOM 1226 CG LEU A 675 0.220 9.793 -10.868 1.00 14.12 C ATOM 1227 CD1 LEU A 675 1.731 9.857 -10.713 1.00 43.43 C ATOM 1228 CD2 LEU A 675 -0.232 8.363 -11.121 1.00 32.40 C ATOM 0 H LEU A 675 -0.757 11.310 -7.360 1.00 73.43 H new ATOM 0 HA LEU A 675 0.846 12.060 -9.596 1.00 25.33 H new ATOM 0 HB2 LEU A 675 -0.183 9.758 -8.767 1.00 1.34 H new ATOM 0 HB3 LEU A 675 -1.549 10.244 -9.752 1.00 1.34 H new ATOM 0 HG LEU A 675 -0.062 10.400 -11.728 1.00 14.12 H new ATOM 0 HD11 LEU A 675 2.206 9.448 -11.605 1.00 43.43 H new ATOM 0 HD12 LEU A 675 2.040 10.894 -10.580 1.00 43.43 H new ATOM 0 HD13 LEU A 675 2.032 9.274 -9.842 1.00 43.43 H new ATOM 0 HD21 LEU A 675 0.270 7.974 -12.007 1.00 32.40 H new ATOM 0 HD22 LEU A 675 0.020 7.744 -10.260 1.00 32.40 H new ATOM 0 HD23 LEU A 675 -1.311 8.345 -11.278 1.00 32.40 H new ATOM 1240 N ARG A 676 -2.230 13.110 -9.488 1.00 15.34 N ATOM 1241 CA ARG A 676 -3.209 13.973 -10.138 1.00 62.03 C ATOM 1242 C ARG A 676 -3.794 13.295 -11.375 1.00 4.51 C ATOM 1243 O ARG A 676 -3.610 13.765 -12.499 1.00 21.43 O ATOM 1244 CB ARG A 676 -2.565 15.305 -10.530 1.00 0.23 C ATOM 1245 CG ARG A 676 -3.572 16.405 -10.822 1.00 15.05 C ATOM 1246 CD ARG A 676 -2.903 17.768 -10.893 1.00 41.52 C ATOM 1247 NE ARG A 676 -3.595 18.762 -10.077 1.00 24.24 N ATOM 1248 CZ ARG A 676 -3.536 18.793 -8.749 1.00 64.45 C ATOM 1249 NH1 ARG A 676 -2.819 17.890 -8.094 1.00 14.52 N ATOM 1250 NH2 ARG A 676 -4.193 19.729 -8.077 1.00 34.24 N ATOM 0 H ARG A 676 -2.477 12.833 -8.538 1.00 15.34 H new ATOM 0 HA ARG A 676 -4.017 14.162 -9.431 1.00 62.03 H new ATOM 0 HB2 ARG A 676 -1.906 15.631 -9.725 1.00 0.23 H new ATOM 0 HB3 ARG A 676 -1.941 15.152 -11.411 1.00 0.23 H new ATOM 0 HG2 ARG A 676 -4.077 16.197 -11.765 1.00 15.05 H new ATOM 0 HG3 ARG A 676 -4.338 16.414 -10.046 1.00 15.05 H new ATOM 0 HD2 ARG A 676 -1.869 17.682 -10.559 1.00 41.52 H new ATOM 0 HD3 ARG A 676 -2.876 18.105 -11.929 1.00 41.52 H new ATOM 0 HE ARG A 676 -4.154 19.471 -10.552 1.00 24.24 H new ATOM 0 HH11 ARG A 676 -2.312 17.170 -8.609 1.00 14.52 H new ATOM 0 HH12 ARG A 676 -2.775 17.915 -7.075 1.00 14.52 H new ATOM 0 HH21 ARG A 676 -4.744 20.425 -8.579 1.00 34.24 H new ATOM 0 HH22 ARG A 676 -4.147 19.752 -7.058 1.00 34.24 H new ATOM 1264 N LYS A 677 -4.498 12.191 -11.160 1.00 24.52 N ATOM 1265 CA LYS A 677 -5.111 11.448 -12.255 1.00 4.01 C ATOM 1266 C LYS A 677 -6.398 12.123 -12.716 1.00 34.43 C ATOM 1267 O LYS A 677 -7.119 12.723 -11.917 1.00 24.50 O ATOM 1268 CB LYS A 677 -5.403 10.009 -11.823 1.00 63.02 C ATOM 1269 CG LYS A 677 -4.597 8.970 -12.583 1.00 13.51 C ATOM 1270 CD LYS A 677 -5.484 8.122 -13.479 1.00 55.52 C ATOM 1271 CE LYS A 677 -4.811 6.810 -13.849 1.00 72.41 C ATOM 1272 NZ LYS A 677 -4.810 6.582 -15.321 1.00 34.43 N ATOM 0 H LYS A 677 -4.659 11.789 -10.236 1.00 24.52 H new ATOM 0 HA LYS A 677 -4.409 11.434 -13.089 1.00 4.01 H new ATOM 0 HB2 LYS A 677 -5.196 9.909 -10.758 1.00 63.02 H new ATOM 0 HB3 LYS A 677 -6.465 9.805 -11.961 1.00 63.02 H new ATOM 0 HG2 LYS A 677 -3.838 9.467 -13.187 1.00 13.51 H new ATOM 0 HG3 LYS A 677 -4.072 8.327 -11.876 1.00 13.51 H new ATOM 0 HD2 LYS A 677 -6.427 7.918 -12.971 1.00 55.52 H new ATOM 0 HD3 LYS A 677 -5.724 8.677 -14.386 1.00 55.52 H new ATOM 0 HE2 LYS A 677 -3.785 6.812 -13.481 1.00 72.41 H new ATOM 0 HE3 LYS A 677 -5.325 5.986 -13.354 1.00 72.41 H new ATOM 0 HZ1 LYS A 677 -4.342 5.677 -15.532 1.00 34.43 H new ATOM 0 HZ2 LYS A 677 -5.790 6.555 -15.669 1.00 34.43 H new ATOM 0 HZ3 LYS A 677 -4.297 7.355 -15.792 1.00 34.43 H new ATOM 1286 N LYS A 678 -6.686 12.019 -14.009 1.00 44.41 N ATOM 1287 CA LYS A 678 -7.888 12.617 -14.577 1.00 11.31 C ATOM 1288 C LYS A 678 -7.995 14.091 -14.198 1.00 24.14 C ATOM 1289 O LYS A 678 -8.159 14.930 -15.082 1.00 60.41 O ATOM 1290 CB LYS A 678 -9.132 11.865 -14.098 1.00 63.40 C ATOM 1291 CG LYS A 678 -10.299 11.940 -15.066 1.00 12.32 C ATOM 1292 CD LYS A 678 -11.531 12.540 -14.408 1.00 23.34 C ATOM 1293 CE LYS A 678 -12.800 12.173 -15.162 1.00 2.21 C ATOM 1294 NZ LYS A 678 -13.787 13.287 -15.161 1.00 54.54 N ATOM 0 H LYS A 678 -6.102 11.525 -14.684 1.00 44.41 H new ATOM 0 HA LYS A 678 -7.821 12.543 -15.662 1.00 11.31 H new ATOM 0 HB2 LYS A 678 -8.873 10.819 -13.935 1.00 63.40 H new ATOM 0 HB3 LYS A 678 -9.443 12.271 -13.135 1.00 63.40 H new ATOM 0 HG2 LYS A 678 -10.018 12.541 -15.931 1.00 12.32 H new ATOM 0 HG3 LYS A 678 -10.532 10.941 -15.435 1.00 12.32 H new ATOM 0 HD2 LYS A 678 -11.603 12.188 -13.379 1.00 23.34 H new ATOM 0 HD3 LYS A 678 -11.431 13.625 -14.367 1.00 23.34 H new ATOM 0 HE2 LYS A 678 -12.549 11.911 -16.190 1.00 2.21 H new ATOM 0 HE3 LYS A 678 -13.249 11.289 -14.709 1.00 2.21 H new ATOM 0 HZ1 LYS A 678 -14.638 12.998 -15.685 1.00 54.54 H new ATOM 0 HZ2 LYS A 678 -14.046 13.520 -14.181 1.00 54.54 H new ATOM 0 HZ3 LYS A 678 -13.368 14.123 -15.616 1.00 54.54 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.582 3.908 -3.919 1.00 22.52 N ATOM 1310 CA THR B 389 15.147 4.124 -3.787 1.00 23.42 C ATOM 1311 C THR B 389 14.468 2.923 -3.138 1.00 61.53 C ATOM 1312 O THR B 389 15.132 1.982 -2.702 1.00 51.24 O ATOM 1313 CB THR B 389 14.492 4.392 -5.154 1.00 12.40 C ATOM 1314 OG1 THR B 389 15.480 4.346 -6.190 1.00 34.51 O ATOM 1315 CG2 THR B 389 13.802 5.749 -5.166 1.00 52.22 C ATOM 0 HA THR B 389 15.016 5.000 -3.151 1.00 23.42 H new ATOM 0 HB THR B 389 13.745 3.619 -5.331 1.00 12.40 H new ATOM 0 HG1 THR B 389 16.368 4.238 -5.790 1.00 34.51 H new ATOM 0 HG21 THR B 389 13.346 5.917 -6.142 1.00 52.22 H new ATOM 0 HG22 THR B 389 13.030 5.772 -4.396 1.00 52.22 H new ATOM 0 HG23 THR B 389 14.535 6.531 -4.968 1.00 52.22 H new ATOM 1323 N TRP B 390 13.142 2.961 -3.079 1.00 32.54 N ATOM 1324 CA TRP B 390 12.373 1.874 -2.483 1.00 35.32 C ATOM 1325 C TRP B 390 12.070 0.792 -3.514 1.00 33.10 C ATOM 1326 O TRP B 390 12.154 1.029 -4.719 1.00 41.32 O ATOM 1327 CB TRP B 390 11.068 2.410 -1.890 1.00 53.02 C ATOM 1328 CG TRP B 390 11.196 2.832 -0.459 1.00 10.44 C ATOM 1329 CD1 TRP B 390 11.877 3.917 0.018 1.00 23.21 C ATOM 1330 CD2 TRP B 390 10.630 2.179 0.683 1.00 21.10 C ATOM 1331 NE1 TRP B 390 11.768 3.976 1.387 1.00 73.13 N ATOM 1332 CE2 TRP B 390 11.007 2.921 1.819 1.00 72.03 C ATOM 1333 CE3 TRP B 390 9.839 1.040 0.855 1.00 60.30 C ATOM 1334 CZ2 TRP B 390 10.621 2.559 3.106 1.00 10.31 C ATOM 1335 CZ3 TRP B 390 9.458 0.681 2.134 1.00 52.21 C ATOM 1336 CH2 TRP B 390 9.847 1.439 3.246 1.00 24.31 C ATOM 0 H TRP B 390 12.577 3.732 -3.436 1.00 32.54 H new ATOM 0 HA TRP B 390 12.972 1.433 -1.686 1.00 35.32 H new ATOM 0 HB2 TRP B 390 10.730 3.260 -2.483 1.00 53.02 H new ATOM 0 HB3 TRP B 390 10.299 1.641 -1.967 1.00 53.02 H new ATOM 0 HD1 TRP B 390 12.421 4.624 -0.591 1.00 23.21 H new ATOM 0 HE1 TRP B 390 12.186 4.689 1.985 1.00 73.13 H new ATOM 0 HE3 TRP B 390 9.531 0.451 0.004 1.00 60.30 H new ATOM 0 HZ2 TRP B 390 10.922 3.141 3.964 1.00 10.31 H new ATOM 0 HZ3 TRP B 390 8.850 -0.200 2.279 1.00 52.21 H new ATOM 0 HH2 TRP B 390 9.530 1.134 4.232 1.00 24.31 H new ATOM 1347 N ARG B 391 11.717 -0.396 -3.034 1.00 13.41 N ATOM 1348 CA ARG B 391 11.403 -1.513 -3.915 1.00 20.44 C ATOM 1349 C ARG B 391 10.206 -2.301 -3.389 1.00 54.04 C ATOM 1350 O ARG B 391 9.812 -2.154 -2.232 1.00 42.12 O ATOM 1351 CB ARG B 391 12.614 -2.438 -4.052 1.00 60.34 C ATOM 1352 CG ARG B 391 13.143 -2.950 -2.723 1.00 74.33 C ATOM 1353 CD ARG B 391 14.620 -3.302 -2.809 1.00 72.35 C ATOM 1354 NE ARG B 391 14.913 -4.152 -3.961 1.00 4.25 N ATOM 1355 CZ ARG B 391 16.146 -4.452 -4.357 1.00 53.22 C ATOM 1356 NH1 ARG B 391 17.193 -3.974 -3.699 1.00 73.24 N ATOM 1357 NH2 ARG B 391 16.331 -5.232 -5.415 1.00 3.13 N ATOM 0 H ARG B 391 11.641 -0.609 -2.039 1.00 13.41 H new ATOM 0 HA ARG B 391 11.149 -1.109 -4.895 1.00 20.44 H new ATOM 0 HB2 ARG B 391 12.342 -3.289 -4.677 1.00 60.34 H new ATOM 0 HB3 ARG B 391 13.411 -1.904 -4.569 1.00 60.34 H new ATOM 0 HG2 ARG B 391 12.993 -2.192 -1.954 1.00 74.33 H new ATOM 0 HG3 ARG B 391 12.575 -3.829 -2.419 1.00 74.33 H new ATOM 0 HD2 ARG B 391 15.208 -2.386 -2.875 1.00 72.35 H new ATOM 0 HD3 ARG B 391 14.925 -3.812 -1.895 1.00 72.35 H new ATOM 0 HE ARG B 391 14.129 -4.536 -4.490 1.00 4.25 H new ATOM 0 HH11 ARG B 391 17.054 -3.374 -2.886 1.00 73.24 H new ATOM 0 HH12 ARG B 391 18.138 -4.206 -4.006 1.00 73.24 H new ATOM 0 HH21 ARG B 391 15.527 -5.601 -5.924 1.00 3.13 H new ATOM 0 HH22 ARG B 391 17.277 -5.463 -5.719 1.00 3.13 H new ATOM 1371 N VAL B 392 9.630 -3.136 -4.248 1.00 73.43 N ATOM 1372 CA VAL B 392 8.478 -3.947 -3.871 1.00 44.43 C ATOM 1373 C VAL B 392 8.604 -5.367 -4.412 1.00 43.15 C ATOM 1374 O VAL B 392 9.126 -5.579 -5.506 1.00 71.32 O ATOM 1375 CB VAL B 392 7.164 -3.328 -4.384 1.00 25.52 C ATOM 1376 CG1 VAL B 392 6.904 -3.746 -5.823 1.00 12.41 C ATOM 1377 CG2 VAL B 392 6.003 -3.727 -3.487 1.00 0.23 C ATOM 0 H VAL B 392 9.942 -3.269 -5.210 1.00 73.43 H new ATOM 0 HA VAL B 392 8.456 -3.978 -2.782 1.00 44.43 H new ATOM 0 HB VAL B 392 7.258 -2.242 -4.357 1.00 25.52 H new ATOM 0 HG11 VAL B 392 5.972 -3.300 -6.169 1.00 12.41 H new ATOM 0 HG12 VAL B 392 7.725 -3.407 -6.454 1.00 12.41 H new ATOM 0 HG13 VAL B 392 6.829 -4.832 -5.878 1.00 12.41 H new ATOM 0 HG21 VAL B 392 5.082 -3.281 -3.864 1.00 0.23 H new ATOM 0 HG22 VAL B 392 5.904 -4.813 -3.481 1.00 0.23 H new ATOM 0 HG23 VAL B 392 6.189 -3.374 -2.473 1.00 0.23 H new ATOM 1387 N GLN B 393 8.124 -6.334 -3.638 1.00 54.54 N ATOM 1388 CA GLN B 393 8.184 -7.734 -4.040 1.00 55.15 C ATOM 1389 C GLN B 393 6.872 -8.448 -3.726 1.00 41.33 C ATOM 1390 O GLN B 393 6.629 -8.845 -2.587 1.00 35.41 O ATOM 1391 CB GLN B 393 9.344 -8.440 -3.336 1.00 73.15 C ATOM 1392 CG GLN B 393 10.697 -7.805 -3.610 1.00 23.43 C ATOM 1393 CD GLN B 393 11.672 -7.995 -2.464 1.00 41.33 C ATOM 1394 OE1 GLN B 393 12.640 -8.747 -2.576 1.00 24.15 O ATOM 1395 NE2 GLN B 393 11.422 -7.311 -1.354 1.00 52.43 N ATOM 0 H GLN B 393 7.689 -6.174 -2.729 1.00 54.54 H new ATOM 0 HA GLN B 393 8.347 -7.769 -5.117 1.00 55.15 H new ATOM 0 HB2 GLN B 393 9.162 -8.438 -2.261 1.00 73.15 H new ATOM 0 HB3 GLN B 393 9.370 -9.483 -3.653 1.00 73.15 H new ATOM 0 HG2 GLN B 393 11.120 -8.236 -4.517 1.00 23.43 H new ATOM 0 HG3 GLN B 393 10.563 -6.739 -3.796 1.00 23.43 H new ATOM 0 HE21 GLN B 393 10.608 -6.699 -1.305 1.00 52.43 H new ATOM 0 HE22 GLN B 393 12.044 -7.398 -0.550 1.00 52.43 H new ATOM 1404 N ARG B 394 6.031 -8.605 -4.743 1.00 22.05 N ATOM 1405 CA ARG B 394 4.744 -9.268 -4.574 1.00 43.02 C ATOM 1406 C ARG B 394 4.919 -10.632 -3.911 1.00 55.30 C ATOM 1407 O ARG B 394 6.039 -11.115 -3.746 1.00 50.13 O ATOM 1408 CB ARG B 394 4.049 -9.432 -5.927 1.00 4.32 C ATOM 1409 CG ARG B 394 4.009 -8.155 -6.749 1.00 13.43 C ATOM 1410 CD ARG B 394 5.051 -8.171 -7.856 1.00 62.50 C ATOM 1411 NE ARG B 394 4.563 -8.845 -9.057 1.00 33.22 N ATOM 1412 CZ ARG B 394 5.201 -8.823 -10.222 1.00 35.20 C ATOM 1413 NH1 ARG B 394 6.346 -8.166 -10.343 1.00 73.14 N ATOM 1414 NH2 ARG B 394 4.693 -9.460 -11.270 1.00 30.24 N ATOM 0 H ARG B 394 6.218 -8.282 -5.692 1.00 22.05 H new ATOM 0 HA ARG B 394 4.124 -8.646 -3.928 1.00 43.02 H new ATOM 0 HB2 ARG B 394 4.562 -10.206 -6.498 1.00 4.32 H new ATOM 0 HB3 ARG B 394 3.029 -9.780 -5.762 1.00 4.32 H new ATOM 0 HG2 ARG B 394 3.017 -8.032 -7.184 1.00 13.43 H new ATOM 0 HG3 ARG B 394 4.181 -7.297 -6.099 1.00 13.43 H new ATOM 0 HD2 ARG B 394 5.333 -7.148 -8.104 1.00 62.50 H new ATOM 0 HD3 ARG B 394 5.951 -8.672 -7.500 1.00 62.50 H new ATOM 0 HE ARG B 394 3.685 -9.360 -8.998 1.00 33.22 H new ATOM 0 HH11 ARG B 394 6.740 -7.675 -9.540 1.00 73.14 H new ATOM 0 HH12 ARG B 394 6.833 -8.151 -11.239 1.00 73.14 H new ATOM 0 HH21 ARG B 394 3.812 -9.967 -11.181 1.00 30.24 H new ATOM 0 HH22 ARG B 394 5.183 -9.443 -12.164 1.00 30.24 H new ATOM 1428 N SER B 395 3.802 -11.247 -3.533 1.00 61.33 N ATOM 1429 CA SER B 395 3.832 -12.553 -2.884 1.00 74.33 C ATOM 1430 C SER B 395 2.722 -13.451 -3.422 1.00 11.12 C ATOM 1431 O SER B 395 2.076 -13.128 -4.418 1.00 61.22 O ATOM 1432 CB SER B 395 3.688 -12.397 -1.370 1.00 4.32 C ATOM 1433 OG SER B 395 4.584 -13.253 -0.681 1.00 13.02 O ATOM 0 H SER B 395 2.867 -10.862 -3.665 1.00 61.33 H new ATOM 0 HA SER B 395 4.792 -13.019 -3.104 1.00 74.33 H new ATOM 0 HB2 SER B 395 3.880 -11.362 -1.088 1.00 4.32 H new ATOM 0 HB3 SER B 395 2.664 -12.623 -1.074 1.00 4.32 H new ATOM 0 HG SER B 395 4.473 -13.133 0.285 1.00 13.02 H new ATOM 1439 N GLN B 396 2.508 -14.581 -2.754 1.00 1.13 N ATOM 1440 CA GLN B 396 1.478 -15.526 -3.165 1.00 73.21 C ATOM 1441 C GLN B 396 0.085 -14.966 -2.894 1.00 70.35 C ATOM 1442 O GLN B 396 -0.873 -15.291 -3.596 1.00 63.13 O ATOM 1443 CB GLN B 396 1.655 -16.857 -2.432 1.00 24.41 C ATOM 1444 CG GLN B 396 1.373 -16.773 -0.941 1.00 11.34 C ATOM 1445 CD GLN B 396 2.114 -17.830 -0.145 1.00 12.31 C ATOM 1446 OE1 GLN B 396 2.847 -18.645 -0.706 1.00 64.10 O ATOM 1447 NE2 GLN B 396 1.927 -17.822 1.169 1.00 0.12 N ATOM 0 H GLN B 396 3.034 -14.863 -1.927 1.00 1.13 H new ATOM 0 HA GLN B 396 1.581 -15.692 -4.237 1.00 73.21 H new ATOM 0 HB2 GLN B 396 0.992 -17.598 -2.877 1.00 24.41 H new ATOM 0 HB3 GLN B 396 2.675 -17.211 -2.581 1.00 24.41 H new ATOM 0 HG2 GLN B 396 1.656 -15.785 -0.577 1.00 11.34 H new ATOM 0 HG3 GLN B 396 0.302 -16.881 -0.771 1.00 11.34 H new ATOM 0 HE21 GLN B 396 1.311 -17.128 1.592 1.00 0.12 H new ATOM 0 HE22 GLN B 396 2.400 -18.510 1.756 1.00 0.12 H new ATOM 1456 N ASN B 397 -0.020 -14.123 -1.873 1.00 52.22 N ATOM 1457 CA ASN B 397 -1.296 -13.518 -1.509 1.00 41.41 C ATOM 1458 C ASN B 397 -2.002 -12.956 -2.740 1.00 11.12 C ATOM 1459 O ASN B 397 -1.407 -12.785 -3.804 1.00 20.13 O ATOM 1460 CB ASN B 397 -1.082 -12.406 -0.479 1.00 74.21 C ATOM 1461 CG ASN B 397 -1.609 -12.780 0.892 1.00 20.15 C ATOM 1462 OD1 ASN B 397 -2.460 -13.661 1.025 1.00 64.44 O ATOM 1463 ND2 ASN B 397 -1.105 -12.111 1.923 1.00 43.12 N ATOM 0 H ASN B 397 0.763 -13.843 -1.283 1.00 52.22 H new ATOM 0 HA ASN B 397 -1.926 -14.293 -1.072 1.00 41.41 H new ATOM 0 HB2 ASN B 397 -0.018 -12.181 -0.407 1.00 74.21 H new ATOM 0 HB3 ASN B 397 -1.578 -11.497 -0.821 1.00 74.21 H new ATOM 0 HD21 ASN B 397 -1.421 -12.319 2.870 1.00 43.12 H new ATOM 0 HD22 ASN B 397 -0.402 -11.389 1.768 1.00 43.12 H new ATOM 1470 N PRO B 398 -3.302 -12.661 -2.593 1.00 15.34 N ATOM 1471 CA PRO B 398 -4.117 -12.113 -3.680 1.00 73.24 C ATOM 1472 C PRO B 398 -3.731 -10.680 -4.031 1.00 21.44 C ATOM 1473 O PRO B 398 -4.143 -10.150 -5.062 1.00 51.45 O ATOM 1474 CB PRO B 398 -5.540 -12.162 -3.117 1.00 42.53 C ATOM 1475 CG PRO B 398 -5.363 -12.115 -1.638 1.00 42.54 C ATOM 1476 CD PRO B 398 -4.076 -12.838 -1.353 1.00 0.24 C ATOM 0 HA PRO B 398 -3.991 -12.675 -4.606 1.00 73.24 H new ATOM 0 HB2 PRO B 398 -6.135 -11.321 -3.472 1.00 42.53 H new ATOM 0 HB3 PRO B 398 -6.057 -13.071 -3.425 1.00 42.53 H new ATOM 0 HG2 PRO B 398 -5.319 -11.086 -1.283 1.00 42.54 H new ATOM 0 HG3 PRO B 398 -6.200 -12.593 -1.129 1.00 42.54 H new ATOM 0 HD2 PRO B 398 -3.559 -12.413 -0.493 1.00 0.24 H new ATOM 0 HD3 PRO B 398 -4.247 -13.892 -1.134 1.00 0.24 H new ATOM 1484 N LEU B 399 -2.938 -10.059 -3.165 1.00 41.23 N ATOM 1485 CA LEU B 399 -2.494 -8.686 -3.383 1.00 14.14 C ATOM 1486 C LEU B 399 -1.576 -8.226 -2.256 1.00 4.21 C ATOM 1487 O LEU B 399 -1.861 -7.246 -1.567 1.00 73.23 O ATOM 1488 CB LEU B 399 -3.700 -7.751 -3.487 1.00 14.33 C ATOM 1489 CG LEU B 399 -3.619 -6.667 -4.562 1.00 44.15 C ATOM 1490 CD1 LEU B 399 -2.432 -5.752 -4.310 1.00 5.10 C ATOM 1491 CD2 LEU B 399 -3.525 -7.296 -5.946 1.00 1.40 C ATOM 0 H LEU B 399 -2.589 -10.484 -2.306 1.00 41.23 H new ATOM 0 HA LEU B 399 -1.935 -8.654 -4.318 1.00 14.14 H new ATOM 0 HB2 LEU B 399 -4.588 -8.355 -3.675 1.00 14.33 H new ATOM 0 HB3 LEU B 399 -3.843 -7.267 -2.521 1.00 14.33 H new ATOM 0 HG LEU B 399 -4.529 -6.068 -4.516 1.00 44.15 H new ATOM 0 HD11 LEU B 399 -2.391 -4.987 -5.085 1.00 5.10 H new ATOM 0 HD12 LEU B 399 -2.540 -5.276 -3.336 1.00 5.10 H new ATOM 0 HD13 LEU B 399 -1.512 -6.336 -4.328 1.00 5.10 H new ATOM 0 HD21 LEU B 399 -3.468 -6.510 -6.700 1.00 1.40 H new ATOM 0 HD22 LEU B 399 -2.632 -7.919 -6.003 1.00 1.40 H new ATOM 0 HD23 LEU B 399 -4.407 -7.910 -6.127 1.00 1.40 H new ATOM 1503 N LYS B 400 -0.468 -8.937 -2.076 1.00 4.34 N ATOM 1504 CA LYS B 400 0.497 -8.600 -1.035 1.00 40.15 C ATOM 1505 C LYS B 400 1.775 -8.031 -1.643 1.00 23.24 C ATOM 1506 O LYS B 400 2.455 -8.700 -2.421 1.00 70.34 O ATOM 1507 CB LYS B 400 0.826 -9.837 -0.196 1.00 61.31 C ATOM 1508 CG LYS B 400 1.995 -9.636 0.751 1.00 1.44 C ATOM 1509 CD LYS B 400 1.615 -9.969 2.184 1.00 23.02 C ATOM 1510 CE LYS B 400 1.979 -11.403 2.539 1.00 42.41 C ATOM 1511 NZ LYS B 400 3.453 -11.616 2.539 1.00 32.21 N ATOM 0 H LYS B 400 -0.216 -9.750 -2.637 1.00 4.34 H new ATOM 0 HA LYS B 400 0.051 -7.841 -0.392 1.00 40.15 H new ATOM 0 HB2 LYS B 400 -0.054 -10.118 0.382 1.00 61.31 H new ATOM 0 HB3 LYS B 400 1.049 -10.670 -0.863 1.00 61.31 H new ATOM 0 HG2 LYS B 400 2.829 -10.265 0.439 1.00 1.44 H new ATOM 0 HG3 LYS B 400 2.336 -8.602 0.695 1.00 1.44 H new ATOM 0 HD2 LYS B 400 2.122 -9.285 2.864 1.00 23.02 H new ATOM 0 HD3 LYS B 400 0.544 -9.820 2.322 1.00 23.02 H new ATOM 0 HE2 LYS B 400 1.577 -11.647 3.522 1.00 42.41 H new ATOM 0 HE3 LYS B 400 1.513 -12.083 1.826 1.00 42.41 H new ATOM 0 HZ1 LYS B 400 3.666 -12.569 2.181 1.00 32.21 H new ATOM 0 HZ2 LYS B 400 3.906 -10.907 1.928 1.00 32.21 H new ATOM 0 HZ3 LYS B 400 3.817 -11.521 3.508 1.00 32.21 H new ATOM 1525 N ILE B 401 2.097 -6.794 -1.281 1.00 2.50 N ATOM 1526 CA ILE B 401 3.295 -6.136 -1.788 1.00 60.32 C ATOM 1527 C ILE B 401 4.208 -5.700 -0.647 1.00 73.41 C ATOM 1528 O ILE B 401 3.870 -4.801 0.122 1.00 64.20 O ATOM 1529 CB ILE B 401 2.942 -4.908 -2.647 1.00 55.22 C ATOM 1530 CG1 ILE B 401 1.462 -4.553 -2.485 1.00 61.24 C ATOM 1531 CG2 ILE B 401 3.273 -5.169 -4.109 1.00 23.44 C ATOM 1532 CD1 ILE B 401 1.137 -3.909 -1.157 1.00 12.04 C ATOM 0 H ILE B 401 1.545 -6.227 -0.638 1.00 2.50 H new ATOM 0 HA ILE B 401 3.817 -6.865 -2.408 1.00 60.32 H new ATOM 0 HB ILE B 401 3.539 -4.062 -2.306 1.00 55.22 H new ATOM 0 HG12 ILE B 401 1.169 -3.877 -3.289 1.00 61.24 H new ATOM 0 HG13 ILE B 401 0.865 -5.458 -2.596 1.00 61.24 H new ATOM 0 HG21 ILE B 401 3.017 -4.291 -4.702 1.00 23.44 H new ATOM 0 HG22 ILE B 401 4.338 -5.377 -4.209 1.00 23.44 H new ATOM 0 HG23 ILE B 401 2.701 -6.026 -4.464 1.00 23.44 H new ATOM 0 HD11 ILE B 401 0.071 -3.685 -1.112 1.00 12.04 H new ATOM 0 HD12 ILE B 401 1.398 -4.591 -0.348 1.00 12.04 H new ATOM 0 HD13 ILE B 401 1.707 -2.986 -1.051 1.00 12.04 H new ATOM 1544 N ARG B 402 5.367 -6.342 -0.546 1.00 62.40 N ATOM 1545 CA ARG B 402 6.330 -6.021 0.500 1.00 52.44 C ATOM 1546 C ARG B 402 7.245 -4.880 0.064 1.00 23.54 C ATOM 1547 O ARG B 402 8.135 -5.067 -0.768 1.00 11.23 O ATOM 1548 CB ARG B 402 7.165 -7.253 0.851 1.00 34.00 C ATOM 1549 CG ARG B 402 6.483 -8.190 1.835 1.00 11.01 C ATOM 1550 CD ARG B 402 7.351 -8.441 3.058 1.00 14.25 C ATOM 1551 NE ARG B 402 8.584 -9.146 2.720 1.00 65.50 N ATOM 1552 CZ ARG B 402 8.623 -10.418 2.339 1.00 74.32 C ATOM 1553 NH1 ARG B 402 7.501 -11.121 2.249 1.00 31.10 N ATOM 1554 NH2 ARG B 402 9.783 -10.991 2.047 1.00 3.42 N ATOM 0 H ARG B 402 5.662 -7.088 -1.176 1.00 62.40 H new ATOM 0 HA ARG B 402 5.776 -5.703 1.383 1.00 52.44 H new ATOM 0 HB2 ARG B 402 7.390 -7.801 -0.064 1.00 34.00 H new ATOM 0 HB3 ARG B 402 8.117 -6.929 1.271 1.00 34.00 H new ATOM 0 HG2 ARG B 402 5.530 -7.762 2.146 1.00 11.01 H new ATOM 0 HG3 ARG B 402 6.262 -9.138 1.344 1.00 11.01 H new ATOM 0 HD2 ARG B 402 7.596 -7.489 3.530 1.00 14.25 H new ATOM 0 HD3 ARG B 402 6.789 -9.024 3.788 1.00 14.25 H new ATOM 0 HE ARG B 402 9.464 -8.634 2.780 1.00 65.50 H new ATOM 0 HH11 ARG B 402 6.607 -10.685 2.473 1.00 31.10 H new ATOM 0 HH12 ARG B 402 7.533 -12.098 1.956 1.00 31.10 H new ATOM 0 HH21 ARG B 402 10.648 -10.455 2.115 1.00 3.42 H new ATOM 0 HH22 ARG B 402 9.810 -11.968 1.755 1.00 3.42 H new ATOM 1568 N LEU B 403 7.022 -3.699 0.631 1.00 72.50 N ATOM 1569 CA LEU B 403 7.826 -2.528 0.301 1.00 25.22 C ATOM 1570 C LEU B 403 9.045 -2.430 1.212 1.00 65.30 C ATOM 1571 O LEU B 403 8.959 -2.686 2.414 1.00 12.32 O ATOM 1572 CB LEU B 403 6.984 -1.257 0.420 1.00 53.24 C ATOM 1573 CG LEU B 403 6.218 -0.839 -0.837 1.00 24.42 C ATOM 1574 CD1 LEU B 403 7.132 -0.863 -2.051 1.00 44.41 C ATOM 1575 CD2 LEU B 403 5.016 -1.746 -1.055 1.00 42.00 C ATOM 0 H LEU B 403 6.291 -3.528 1.321 1.00 72.50 H new ATOM 0 HA LEU B 403 8.171 -2.633 -0.728 1.00 25.22 H new ATOM 0 HB2 LEU B 403 6.267 -1.395 1.229 1.00 53.24 H new ATOM 0 HB3 LEU B 403 7.640 -0.437 0.711 1.00 53.24 H new ATOM 0 HG LEU B 403 5.859 0.181 -0.698 1.00 24.42 H new ATOM 0 HD11 LEU B 403 6.570 -0.563 -2.935 1.00 44.41 H new ATOM 0 HD12 LEU B 403 7.961 -0.172 -1.896 1.00 44.41 H new ATOM 0 HD13 LEU B 403 7.522 -1.871 -2.193 1.00 44.41 H new ATOM 0 HD21 LEU B 403 4.483 -1.434 -1.953 1.00 42.00 H new ATOM 0 HD22 LEU B 403 5.354 -2.776 -1.173 1.00 42.00 H new ATOM 0 HD23 LEU B 403 4.349 -1.679 -0.196 1.00 42.00 H new ATOM 1587 N THR B 404 10.183 -2.057 0.633 1.00 31.02 N ATOM 1588 CA THR B 404 11.420 -1.924 1.392 1.00 14.23 C ATOM 1589 C THR B 404 12.286 -0.799 0.839 1.00 32.30 C ATOM 1590 O THR B 404 12.345 -0.587 -0.372 1.00 54.25 O ATOM 1591 CB THR B 404 12.230 -3.234 1.380 1.00 35.22 C ATOM 1592 OG1 THR B 404 12.829 -3.428 0.095 1.00 52.43 O ATOM 1593 CG2 THR B 404 11.341 -4.423 1.715 1.00 54.13 C ATOM 0 H THR B 404 10.273 -1.842 -0.360 1.00 31.02 H new ATOM 0 HA THR B 404 11.137 -1.690 2.418 1.00 14.23 H new ATOM 0 HB THR B 404 13.011 -3.159 2.137 1.00 35.22 H new ATOM 0 HG1 THR B 404 13.343 -4.262 0.096 1.00 52.43 H new ATOM 0 HG21 THR B 404 11.935 -5.337 1.700 1.00 54.13 H new ATOM 0 HG22 THR B 404 10.909 -4.287 2.706 1.00 54.13 H new ATOM 0 HG23 THR B 404 10.541 -4.498 0.978 1.00 54.13 H new ATOM 1601 N ARG B 405 12.958 -0.081 1.733 1.00 64.31 N ATOM 1602 CA ARG B 405 13.823 1.022 1.333 1.00 14.14 C ATOM 1603 C ARG B 405 14.769 0.595 0.216 1.00 70.52 C ATOM 1604 O ARG B 405 15.275 -0.527 0.213 1.00 33.43 O ATOM 1605 CB ARG B 405 14.626 1.528 2.532 1.00 2.53 C ATOM 1606 CG ARG B 405 13.832 2.430 3.462 1.00 14.23 C ATOM 1607 CD ARG B 405 14.665 2.879 4.652 1.00 64.33 C ATOM 1608 NE ARG B 405 16.016 3.270 4.257 1.00 73.02 N ATOM 1609 CZ ARG B 405 16.289 4.373 3.567 1.00 21.14 C ATOM 1610 NH1 ARG B 405 15.310 5.188 3.199 1.00 22.23 N ATOM 1611 NH2 ARG B 405 17.544 4.662 3.245 1.00 70.40 N ATOM 0 H ARG B 405 12.920 -0.244 2.739 1.00 64.31 H new ATOM 0 HA ARG B 405 13.192 1.829 0.960 1.00 14.14 H new ATOM 0 HB2 ARG B 405 14.995 0.673 3.098 1.00 2.53 H new ATOM 0 HB3 ARG B 405 15.499 2.072 2.170 1.00 2.53 H new ATOM 0 HG2 ARG B 405 13.482 3.303 2.912 1.00 14.23 H new ATOM 0 HG3 ARG B 405 12.947 1.901 3.815 1.00 14.23 H new ATOM 0 HD2 ARG B 405 14.173 3.719 5.143 1.00 64.33 H new ATOM 0 HD3 ARG B 405 14.720 2.071 5.382 1.00 64.33 H new ATOM 0 HE ARG B 405 16.792 2.664 4.525 1.00 73.02 H new ATOM 0 HH11 ARG B 405 14.345 4.969 3.445 1.00 22.23 H new ATOM 0 HH12 ARG B 405 15.522 6.034 2.670 1.00 22.23 H new ATOM 0 HH21 ARG B 405 18.300 4.038 3.527 1.00 70.40 H new ATOM 0 HH22 ARG B 405 17.753 5.508 2.716 1.00 70.40 H new TER 1625 ARG B 405