USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=21 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 393 GLN : amide:sc= -0.175 K(o=-0.77,f=-2.2) USER MOD Set 1.2: B 404 THR OG1 : rot 180:sc= -0.594 USER MOD Set 2.1: A 607 CYS SG : rot -127:sc= 0.552 USER MOD Set 2.2: A 662 SER OG : rot 180:sc= 0.481 USER MOD Single : A 601 SER OG : rot 170:sc= -0.0767 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 -175:sc= -0.16 (180deg=-0.275) 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+ -152:sc= -0.397 (180deg=-1.86) USER MOD Single : A 617 GLN : amide:sc= -0.964 X(o=-0.96,f=-1.2) USER MOD Single : A 619 SER OG : rot -10:sc= -1.29! USER MOD Single : A 623 ASN : amide:sc= -0.096 K(o=-0.096,f=-0.89) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -141:sc= -0.3 (180deg=-2.04!) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 638 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.61) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 83:sc= 0.152 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.6) 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 160:sc= 0 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot -110:sc= -0.553 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 7:sc= 0.784 USER MOD Single : B 395 SER OG : rot 16:sc= 1.22 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 397 ASN : amide:sc= -1.85! C(o=-1.9!,f=-2.6!) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -24.426 9.096 14.452 1.00 1.24 N ATOM 2 CA GLU A 600 -23.270 8.635 15.213 1.00 41.05 C ATOM 3 C GLU A 600 -22.120 8.264 14.281 1.00 61.20 C ATOM 4 O GLU A 600 -22.337 7.797 13.163 1.00 54.02 O ATOM 5 CB GLU A 600 -23.648 7.433 16.079 1.00 41.03 C ATOM 6 CG GLU A 600 -23.392 7.646 17.561 1.00 61.20 C ATOM 7 CD GLU A 600 -22.706 6.460 18.212 1.00 40.11 C ATOM 8 OE1 GLU A 600 -23.002 5.313 17.816 1.00 11.25 O ATOM 9 OE2 GLU A 600 -21.873 6.679 19.116 1.00 2.31 O ATOM 0 HA GLU A 600 -22.943 9.450 15.859 1.00 41.05 H new ATOM 0 HB2 GLU A 600 -24.704 7.206 15.930 1.00 41.03 H new ATOM 0 HB3 GLU A 600 -23.085 6.562 15.743 1.00 41.03 H new ATOM 0 HG2 GLU A 600 -22.776 8.535 17.695 1.00 61.20 H new ATOM 0 HG3 GLU A 600 -24.339 7.835 18.066 1.00 61.20 H new ATOM 16 N SER A 601 -20.894 8.474 14.750 1.00 12.23 N ATOM 17 CA SER A 601 -19.709 8.166 13.960 1.00 71.44 C ATOM 18 C SER A 601 -19.540 9.167 12.821 1.00 42.20 C ATOM 19 O SER A 601 -18.618 9.982 12.830 1.00 3.34 O ATOM 20 CB SER A 601 -19.801 6.747 13.395 1.00 31.44 C ATOM 21 OG SER A 601 -20.389 5.862 14.335 1.00 54.14 O ATOM 0 H SER A 601 -20.696 8.857 15.675 1.00 12.23 H new ATOM 0 HA SER A 601 -18.840 8.234 14.614 1.00 71.44 H new ATOM 0 HB2 SER A 601 -20.391 6.754 12.479 1.00 31.44 H new ATOM 0 HB3 SER A 601 -18.805 6.392 13.130 1.00 31.44 H new ATOM 0 HG SER A 601 -20.585 5.006 13.900 1.00 54.14 H new ATOM 27 N GLU A 602 -20.437 9.099 11.842 1.00 30.24 N ATOM 28 CA GLU A 602 -20.387 9.999 10.697 1.00 61.45 C ATOM 29 C GLU A 602 -19.001 9.989 10.057 1.00 32.41 C ATOM 30 O GLU A 602 -18.464 11.036 9.700 1.00 43.44 O ATOM 31 CB GLU A 602 -20.754 11.422 11.121 1.00 43.00 C ATOM 32 CG GLU A 602 -22.184 11.561 11.614 1.00 73.15 C ATOM 33 CD GLU A 602 -22.447 12.901 12.272 1.00 31.33 C ATOM 34 OE1 GLU A 602 -22.776 13.864 11.548 1.00 32.13 O ATOM 35 OE2 GLU A 602 -22.324 12.988 13.512 1.00 62.01 O ATOM 0 H GLU A 602 -21.207 8.430 11.819 1.00 30.24 H new ATOM 0 HA GLU A 602 -21.111 9.649 9.961 1.00 61.45 H new ATOM 0 HB2 GLU A 602 -20.074 11.744 11.910 1.00 43.00 H new ATOM 0 HB3 GLU A 602 -20.603 12.094 10.276 1.00 43.00 H new ATOM 0 HG2 GLU A 602 -22.868 11.432 10.775 1.00 73.15 H new ATOM 0 HG3 GLU A 602 -22.398 10.763 12.325 1.00 73.15 H new ATOM 42 N GLU A 603 -18.430 8.797 9.916 1.00 65.41 N ATOM 43 CA GLU A 603 -17.106 8.650 9.321 1.00 74.32 C ATOM 44 C GLU A 603 -16.885 7.220 8.834 1.00 12.41 C ATOM 45 O GLU A 603 -16.591 6.993 7.660 1.00 1.12 O ATOM 46 CB GLU A 603 -16.023 9.029 10.333 1.00 32.20 C ATOM 47 CG GLU A 603 -14.624 9.062 9.742 1.00 43.13 C ATOM 48 CD GLU A 603 -13.577 9.508 10.745 1.00 52.21 C ATOM 49 OE1 GLU A 603 -13.633 10.678 11.180 1.00 73.34 O ATOM 50 OE2 GLU A 603 -12.703 8.688 11.095 1.00 21.03 O ATOM 0 H GLU A 603 -18.863 7.920 10.205 1.00 65.41 H new ATOM 0 HA GLU A 603 -17.043 9.321 8.465 1.00 74.32 H new ATOM 0 HB2 GLU A 603 -16.255 10.008 10.751 1.00 32.20 H new ATOM 0 HB3 GLU A 603 -16.043 8.317 11.158 1.00 32.20 H new ATOM 0 HG2 GLU A 603 -14.367 8.070 9.371 1.00 43.13 H new ATOM 0 HG3 GLU A 603 -14.611 9.736 8.885 1.00 43.13 H new ATOM 57 N GLU A 604 -17.027 6.262 9.744 1.00 73.31 N ATOM 58 CA GLU A 604 -16.841 4.856 9.407 1.00 62.23 C ATOM 59 C GLU A 604 -17.682 4.472 8.192 1.00 30.45 C ATOM 60 O GLU A 604 -17.261 3.666 7.362 1.00 2.01 O ATOM 61 CB GLU A 604 -17.210 3.970 10.598 1.00 20.54 C ATOM 62 CG GLU A 604 -18.683 4.027 10.966 1.00 20.31 C ATOM 63 CD GLU A 604 -18.956 3.509 12.365 1.00 61.41 C ATOM 64 OE1 GLU A 604 -18.039 3.575 13.210 1.00 25.10 O ATOM 65 OE2 GLU A 604 -20.085 3.039 12.615 1.00 63.22 O ATOM 0 H GLU A 604 -17.270 6.434 10.720 1.00 73.31 H new ATOM 0 HA GLU A 604 -15.790 4.703 9.162 1.00 62.23 H new ATOM 0 HB2 GLU A 604 -16.941 2.939 10.370 1.00 20.54 H new ATOM 0 HB3 GLU A 604 -16.617 4.271 11.461 1.00 20.54 H new ATOM 0 HG2 GLU A 604 -19.033 5.056 10.889 1.00 20.31 H new ATOM 0 HG3 GLU A 604 -19.256 3.441 10.247 1.00 20.31 H new ATOM 72 N ASP A 605 -18.873 5.052 8.098 1.00 25.12 N ATOM 73 CA ASP A 605 -19.774 4.771 6.986 1.00 34.21 C ATOM 74 C ASP A 605 -19.144 5.182 5.659 1.00 10.30 C ATOM 75 O ASP A 605 -19.349 4.531 4.634 1.00 14.23 O ATOM 76 CB ASP A 605 -21.103 5.502 7.182 1.00 51.21 C ATOM 77 CG ASP A 605 -21.946 4.887 8.281 1.00 73.53 C ATOM 78 OD1 ASP A 605 -21.447 4.774 9.420 1.00 71.22 O ATOM 79 OD2 ASP A 605 -23.106 4.517 8.001 1.00 2.02 O ATOM 0 H ASP A 605 -19.237 5.719 8.778 1.00 25.12 H new ATOM 0 HA ASP A 605 -19.959 3.697 6.962 1.00 34.21 H new ATOM 0 HB2 ASP A 605 -20.907 6.547 7.420 1.00 51.21 H new ATOM 0 HB3 ASP A 605 -21.663 5.488 6.247 1.00 51.21 H new ATOM 84 N LYS A 606 -18.376 6.266 5.685 1.00 4.23 N ATOM 85 CA LYS A 606 -17.715 6.764 4.485 1.00 43.51 C ATOM 86 C LYS A 606 -16.669 5.772 3.988 1.00 40.13 C ATOM 87 O LYS A 606 -16.405 5.682 2.788 1.00 74.14 O ATOM 88 CB LYS A 606 -17.058 8.118 4.765 1.00 63.21 C ATOM 89 CG LYS A 606 -18.031 9.178 5.251 1.00 1.25 C ATOM 90 CD LYS A 606 -17.758 10.525 4.603 1.00 72.14 C ATOM 91 CE LYS A 606 -18.812 11.551 4.988 1.00 44.53 C ATOM 92 NZ LYS A 606 -18.467 12.250 6.257 1.00 10.03 N ATOM 0 H LYS A 606 -18.196 6.817 6.525 1.00 4.23 H new ATOM 0 HA LYS A 606 -18.470 6.887 3.709 1.00 43.51 H new ATOM 0 HB2 LYS A 606 -16.276 7.985 5.512 1.00 63.21 H new ATOM 0 HB3 LYS A 606 -16.573 8.472 3.855 1.00 63.21 H new ATOM 0 HG2 LYS A 606 -19.051 8.866 5.028 1.00 1.25 H new ATOM 0 HG3 LYS A 606 -17.956 9.273 6.334 1.00 1.25 H new ATOM 0 HD2 LYS A 606 -16.773 10.882 4.904 1.00 72.14 H new ATOM 0 HD3 LYS A 606 -17.738 10.411 3.519 1.00 72.14 H new ATOM 0 HE2 LYS A 606 -18.916 12.283 4.187 1.00 44.53 H new ATOM 0 HE3 LYS A 606 -19.778 11.057 5.096 1.00 44.53 H new ATOM 0 HZ1 LYS A 606 -19.210 12.941 6.486 1.00 10.03 H new ATOM 0 HZ2 LYS A 606 -18.392 11.555 7.027 1.00 10.03 H new ATOM 0 HZ3 LYS A 606 -17.558 12.743 6.146 1.00 10.03 H new ATOM 106 N CYS A 607 -16.076 5.030 4.916 1.00 72.41 N ATOM 107 CA CYS A 607 -15.058 4.043 4.572 1.00 13.14 C ATOM 108 C CYS A 607 -15.671 2.875 3.805 1.00 21.22 C ATOM 109 O CYS A 607 -16.408 2.066 4.370 1.00 52.12 O ATOM 110 CB CYS A 607 -14.366 3.532 5.836 1.00 43.21 C ATOM 111 SG CYS A 607 -13.827 4.839 6.963 1.00 55.23 S ATOM 0 H CYS A 607 -16.282 5.093 5.913 1.00 72.41 H new ATOM 0 HA CYS A 607 -14.319 4.526 3.933 1.00 13.14 H new ATOM 0 HB2 CYS A 607 -15.048 2.868 6.367 1.00 43.21 H new ATOM 0 HB3 CYS A 607 -13.500 2.936 5.547 1.00 43.21 H new ATOM 0 HG CYS A 607 -12.568 4.678 7.244 1.00 55.23 H new ATOM 117 N LYS A 608 -15.362 2.794 2.515 1.00 13.23 N ATOM 118 CA LYS A 608 -15.882 1.726 1.670 1.00 54.14 C ATOM 119 C LYS A 608 -14.865 0.598 1.532 1.00 44.44 C ATOM 120 O LYS A 608 -13.658 0.797 1.673 1.00 21.31 O ATOM 121 CB LYS A 608 -16.244 2.273 0.287 1.00 61.22 C ATOM 122 CG LYS A 608 -17.427 3.226 0.300 1.00 21.24 C ATOM 123 CD LYS A 608 -16.996 4.655 0.014 1.00 45.22 C ATOM 124 CE LYS A 608 -18.118 5.642 0.291 1.00 3.55 C ATOM 125 NZ LYS A 608 -18.468 6.438 -0.918 1.00 70.11 N ATOM 0 H LYS A 608 -14.754 3.455 2.032 1.00 13.23 H new ATOM 0 HA LYS A 608 -16.779 1.327 2.142 1.00 54.14 H new ATOM 0 HB2 LYS A 608 -15.378 2.788 -0.129 1.00 61.22 H new ATOM 0 HB3 LYS A 608 -16.468 1.438 -0.377 1.00 61.22 H new ATOM 0 HG2 LYS A 608 -18.158 2.910 -0.444 1.00 21.24 H new ATOM 0 HG3 LYS A 608 -17.921 3.181 1.271 1.00 21.24 H new ATOM 0 HD2 LYS A 608 -16.131 4.905 0.628 1.00 45.22 H new ATOM 0 HD3 LYS A 608 -16.684 4.740 -1.027 1.00 45.22 H new ATOM 0 HE2 LYS A 608 -18.999 5.102 0.638 1.00 3.55 H new ATOM 0 HE3 LYS A 608 -17.819 6.315 1.095 1.00 3.55 H new ATOM 0 HZ1 LYS A 608 -19.237 7.099 -0.688 1.00 70.11 H new ATOM 0 HZ2 LYS A 608 -17.634 6.973 -1.235 1.00 70.11 H new ATOM 0 HZ3 LYS A 608 -18.777 5.798 -1.677 1.00 70.11 H new ATOM 139 N PRO A 609 -15.360 -0.615 1.245 1.00 10.03 N ATOM 140 CA PRO A 609 -14.511 -1.798 1.079 1.00 11.03 C ATOM 141 C PRO A 609 -13.670 -1.734 -0.191 1.00 63.21 C ATOM 142 O PRO A 609 -13.973 -0.972 -1.109 1.00 73.40 O ATOM 143 CB PRO A 609 -15.517 -2.949 0.998 1.00 51.41 C ATOM 144 CG PRO A 609 -16.772 -2.320 0.500 1.00 72.12 C ATOM 145 CD PRO A 609 -16.788 -0.925 1.062 1.00 74.22 C ATOM 0 HA PRO A 609 -13.791 -1.900 1.891 1.00 11.03 H new ATOM 0 HB2 PRO A 609 -15.171 -3.731 0.322 1.00 51.41 H new ATOM 0 HB3 PRO A 609 -15.667 -3.414 1.973 1.00 51.41 H new ATOM 0 HG2 PRO A 609 -16.794 -2.302 -0.590 1.00 72.12 H new ATOM 0 HG3 PRO A 609 -17.647 -2.882 0.827 1.00 72.12 H new ATOM 0 HD2 PRO A 609 -17.268 -0.223 0.380 1.00 74.22 H new ATOM 0 HD3 PRO A 609 -17.334 -0.878 2.004 1.00 74.22 H new ATOM 153 N MET A 610 -12.614 -2.539 -0.238 1.00 32.43 N ATOM 154 CA MET A 610 -11.731 -2.575 -1.397 1.00 70.22 C ATOM 155 C MET A 610 -11.441 -4.013 -1.816 1.00 4.44 C ATOM 156 O MET A 610 -10.853 -4.784 -1.056 1.00 42.43 O ATOM 157 CB MET A 610 -10.421 -1.847 -1.090 1.00 41.42 C ATOM 158 CG MET A 610 -10.620 -0.449 -0.528 1.00 35.14 C ATOM 159 SD MET A 610 -11.157 0.734 -1.778 1.00 45.14 S ATOM 160 CE MET A 610 -9.632 0.982 -2.684 1.00 3.40 C ATOM 0 H MET A 610 -12.349 -3.175 0.514 1.00 32.43 H new ATOM 0 HA MET A 610 -12.234 -2.070 -2.221 1.00 70.22 H new ATOM 0 HB2 MET A 610 -9.845 -2.438 -0.377 1.00 41.42 H new ATOM 0 HB3 MET A 610 -9.829 -1.782 -2.003 1.00 41.42 H new ATOM 0 HG2 MET A 610 -11.359 -0.486 0.273 1.00 35.14 H new ATOM 0 HG3 MET A 610 -9.686 -0.104 -0.085 1.00 35.14 H new ATOM 0 HE1 MET A 610 -9.778 1.757 -3.437 1.00 3.40 H new ATOM 0 HE2 MET A 610 -8.845 1.289 -1.995 1.00 3.40 H new ATOM 0 HE3 MET A 610 -9.344 0.051 -3.172 1.00 3.40 H new ATOM 170 N SER A 611 -11.856 -4.368 -3.027 1.00 44.34 N ATOM 171 CA SER A 611 -11.644 -5.714 -3.544 1.00 53.14 C ATOM 172 C SER A 611 -10.323 -5.803 -4.304 1.00 50.44 C ATOM 173 O SER A 611 -9.635 -4.800 -4.494 1.00 52.44 O ATOM 174 CB SER A 611 -12.801 -6.119 -4.461 1.00 64.42 C ATOM 175 OG SER A 611 -13.684 -7.010 -3.802 1.00 51.13 O ATOM 0 H SER A 611 -12.341 -3.742 -3.669 1.00 44.34 H new ATOM 0 HA SER A 611 -11.603 -6.399 -2.697 1.00 53.14 H new ATOM 0 HB2 SER A 611 -13.346 -5.230 -4.779 1.00 64.42 H new ATOM 0 HB3 SER A 611 -12.408 -6.591 -5.362 1.00 64.42 H new ATOM 0 HG SER A 611 -14.416 -7.253 -4.407 1.00 51.13 H new ATOM 181 N TYR A 612 -9.976 -7.010 -4.735 1.00 52.12 N ATOM 182 CA TYR A 612 -8.738 -7.232 -5.472 1.00 25.40 C ATOM 183 C TYR A 612 -8.635 -6.284 -6.663 1.00 33.04 C ATOM 184 O TYR A 612 -7.539 -5.920 -7.086 1.00 64.24 O ATOM 185 CB TYR A 612 -8.658 -8.682 -5.952 1.00 24.24 C ATOM 186 CG TYR A 612 -9.913 -9.160 -6.648 1.00 0.12 C ATOM 187 CD1 TYR A 612 -10.160 -8.834 -7.976 1.00 34.13 C ATOM 188 CD2 TYR A 612 -10.850 -9.936 -5.978 1.00 11.01 C ATOM 189 CE1 TYR A 612 -11.306 -9.267 -8.616 1.00 32.32 C ATOM 190 CE2 TYR A 612 -11.997 -10.374 -6.610 1.00 24.42 C ATOM 191 CZ TYR A 612 -12.220 -10.038 -7.929 1.00 55.42 C ATOM 192 OH TYR A 612 -13.362 -10.472 -8.561 1.00 54.23 O ATOM 0 H TYR A 612 -10.535 -7.850 -4.587 1.00 52.12 H new ATOM 0 HA TYR A 612 -7.904 -7.033 -4.799 1.00 25.40 H new ATOM 0 HB2 TYR A 612 -7.813 -8.784 -6.633 1.00 24.24 H new ATOM 0 HB3 TYR A 612 -8.458 -9.328 -5.097 1.00 24.24 H new ATOM 0 HD1 TYR A 612 -9.445 -8.232 -8.517 1.00 34.13 H new ATOM 0 HD2 TYR A 612 -10.679 -10.201 -4.945 1.00 11.01 H new ATOM 0 HE1 TYR A 612 -11.485 -9.003 -9.648 1.00 32.32 H new ATOM 0 HE2 TYR A 612 -12.716 -10.976 -6.074 1.00 24.42 H new ATOM 0 HH TYR A 612 -13.899 -11.004 -7.937 1.00 54.23 H new ATOM 202 N GLU A 613 -9.786 -5.888 -7.198 1.00 34.03 N ATOM 203 CA GLU A 613 -9.826 -4.983 -8.340 1.00 22.22 C ATOM 204 C GLU A 613 -9.232 -3.625 -7.978 1.00 32.00 C ATOM 205 O GLU A 613 -8.246 -3.189 -8.572 1.00 35.42 O ATOM 206 CB GLU A 613 -11.265 -4.808 -8.830 1.00 31.13 C ATOM 207 CG GLU A 613 -11.527 -5.443 -10.186 1.00 21.25 C ATOM 208 CD GLU A 613 -12.293 -4.526 -11.120 1.00 64.42 C ATOM 209 OE1 GLU A 613 -13.538 -4.493 -11.031 1.00 4.21 O ATOM 210 OE2 GLU A 613 -11.646 -3.843 -11.941 1.00 40.33 O ATOM 0 H GLU A 613 -10.703 -6.180 -6.859 1.00 34.03 H new ATOM 0 HA GLU A 613 -9.228 -5.421 -9.140 1.00 22.22 H new ATOM 0 HB2 GLU A 613 -11.945 -5.242 -8.097 1.00 31.13 H new ATOM 0 HB3 GLU A 613 -11.494 -3.744 -8.886 1.00 31.13 H new ATOM 0 HG2 GLU A 613 -10.577 -5.713 -10.646 1.00 21.25 H new ATOM 0 HG3 GLU A 613 -12.089 -6.367 -10.048 1.00 21.25 H new ATOM 217 N GLU A 614 -9.841 -2.960 -7.000 1.00 44.21 N ATOM 218 CA GLU A 614 -9.372 -1.652 -6.561 1.00 12.45 C ATOM 219 C GLU A 614 -8.034 -1.766 -5.837 1.00 65.03 C ATOM 220 O GLU A 614 -7.250 -0.817 -5.802 1.00 32.10 O ATOM 221 CB GLU A 614 -10.407 -0.997 -5.641 1.00 42.02 C ATOM 222 CG GLU A 614 -11.777 -0.846 -6.279 1.00 14.11 C ATOM 223 CD GLU A 614 -12.116 0.597 -6.599 1.00 51.41 C ATOM 224 OE1 GLU A 614 -11.371 1.220 -7.384 1.00 13.11 O ATOM 225 OE2 GLU A 614 -13.125 1.104 -6.065 1.00 4.01 O ATOM 0 H GLU A 614 -10.659 -3.306 -6.498 1.00 44.21 H new ATOM 0 HA GLU A 614 -9.234 -1.030 -7.445 1.00 12.45 H new ATOM 0 HB2 GLU A 614 -10.502 -1.592 -4.733 1.00 42.02 H new ATOM 0 HB3 GLU A 614 -10.044 -0.014 -5.342 1.00 42.02 H new ATOM 0 HG2 GLU A 614 -11.814 -1.436 -7.195 1.00 14.11 H new ATOM 0 HG3 GLU A 614 -12.533 -1.253 -5.607 1.00 14.11 H new ATOM 232 N LYS A 615 -7.779 -2.936 -5.261 1.00 50.12 N ATOM 233 CA LYS A 615 -6.536 -3.178 -4.538 1.00 63.23 C ATOM 234 C LYS A 615 -5.366 -3.336 -5.505 1.00 71.32 C ATOM 235 O LYS A 615 -4.386 -2.595 -5.434 1.00 25.31 O ATOM 236 CB LYS A 615 -6.664 -4.430 -3.667 1.00 64.14 C ATOM 237 CG LYS A 615 -7.119 -4.140 -2.248 1.00 53.43 C ATOM 238 CD LYS A 615 -8.072 -5.209 -1.739 1.00 44.33 C ATOM 239 CE LYS A 615 -7.461 -6.598 -1.849 1.00 4.11 C ATOM 240 NZ LYS A 615 -7.674 -7.397 -0.610 1.00 11.44 N ATOM 0 H LYS A 615 -8.417 -3.732 -5.281 1.00 50.12 H new ATOM 0 HA LYS A 615 -6.343 -2.316 -3.899 1.00 63.23 H new ATOM 0 HB2 LYS A 615 -7.371 -5.116 -4.133 1.00 64.14 H new ATOM 0 HB3 LYS A 615 -5.701 -4.939 -3.634 1.00 64.14 H new ATOM 0 HG2 LYS A 615 -6.251 -4.082 -1.591 1.00 53.43 H new ATOM 0 HG3 LYS A 615 -7.610 -3.167 -2.214 1.00 53.43 H new ATOM 0 HD2 LYS A 615 -8.328 -5.004 -0.700 1.00 44.33 H new ATOM 0 HD3 LYS A 615 -9.000 -5.172 -2.309 1.00 44.33 H new ATOM 0 HE2 LYS A 615 -7.899 -7.121 -2.699 1.00 4.11 H new ATOM 0 HE3 LYS A 615 -6.392 -6.510 -2.045 1.00 4.11 H new ATOM 0 HZ1 LYS A 615 -6.904 -8.088 -0.506 1.00 11.44 H new ATOM 0 HZ2 LYS A 615 -7.684 -6.763 0.214 1.00 11.44 H new ATOM 0 HZ3 LYS A 615 -8.583 -7.899 -0.672 1.00 11.44 H new ATOM 254 N ARG A 616 -5.478 -4.304 -6.409 1.00 22.03 N ATOM 255 CA ARG A 616 -4.429 -4.558 -7.390 1.00 20.30 C ATOM 256 C ARG A 616 -4.029 -3.270 -8.104 1.00 51.11 C ATOM 257 O ARG A 616 -2.890 -3.122 -8.544 1.00 64.10 O ATOM 258 CB ARG A 616 -4.898 -5.595 -8.411 1.00 72.45 C ATOM 259 CG ARG A 616 -5.777 -5.017 -9.508 1.00 41.31 C ATOM 260 CD ARG A 616 -4.958 -4.620 -10.726 1.00 11.43 C ATOM 261 NE ARG A 616 -5.291 -5.426 -11.897 1.00 52.24 N ATOM 262 CZ ARG A 616 -4.996 -5.070 -13.142 1.00 53.15 C ATOM 263 NH1 ARG A 616 -4.365 -3.928 -13.377 1.00 63.53 N ATOM 264 NH2 ARG A 616 -5.333 -5.858 -14.156 1.00 5.41 N ATOM 0 H ARG A 616 -6.284 -4.925 -6.483 1.00 22.03 H new ATOM 0 HA ARG A 616 -3.558 -4.946 -6.862 1.00 20.30 H new ATOM 0 HB2 ARG A 616 -4.026 -6.065 -8.866 1.00 72.45 H new ATOM 0 HB3 ARG A 616 -5.448 -6.380 -7.892 1.00 72.45 H new ATOM 0 HG2 ARG A 616 -6.529 -5.751 -9.797 1.00 41.31 H new ATOM 0 HG3 ARG A 616 -6.311 -4.146 -9.127 1.00 41.31 H new ATOM 0 HD2 ARG A 616 -5.129 -3.567 -10.950 1.00 11.43 H new ATOM 0 HD3 ARG A 616 -3.897 -4.729 -10.501 1.00 11.43 H new ATOM 0 HE ARG A 616 -5.777 -6.311 -11.751 1.00 52.24 H new ATOM 0 HH11 ARG A 616 -4.105 -3.320 -12.600 1.00 63.53 H new ATOM 0 HH12 ARG A 616 -4.140 -3.657 -14.334 1.00 63.53 H new ATOM 0 HH21 ARG A 616 -5.819 -6.737 -13.979 1.00 5.41 H new ATOM 0 HH22 ARG A 616 -5.106 -5.584 -15.112 1.00 5.41 H new ATOM 278 N GLN A 617 -4.975 -2.342 -8.214 1.00 72.53 N ATOM 279 CA GLN A 617 -4.721 -1.068 -8.876 1.00 71.33 C ATOM 280 C GLN A 617 -3.838 -0.174 -8.013 1.00 4.54 C ATOM 281 O GLN A 617 -2.937 0.498 -8.516 1.00 40.43 O ATOM 282 CB GLN A 617 -6.040 -0.359 -9.185 1.00 14.31 C ATOM 283 CG GLN A 617 -5.868 1.099 -9.583 1.00 71.04 C ATOM 284 CD GLN A 617 -5.016 1.267 -10.825 1.00 30.21 C ATOM 285 OE1 GLN A 617 -4.870 0.340 -11.623 1.00 32.44 O ATOM 286 NE2 GLN A 617 -4.446 2.455 -10.997 1.00 32.33 N ATOM 0 H GLN A 617 -5.923 -2.449 -7.853 1.00 72.53 H new ATOM 0 HA GLN A 617 -4.198 -1.270 -9.811 1.00 71.33 H new ATOM 0 HB2 GLN A 617 -6.548 -0.889 -9.990 1.00 14.31 H new ATOM 0 HB3 GLN A 617 -6.687 -0.414 -8.309 1.00 14.31 H new ATOM 0 HG2 GLN A 617 -6.848 1.543 -9.757 1.00 71.04 H new ATOM 0 HG3 GLN A 617 -5.412 1.646 -8.758 1.00 71.04 H new ATOM 0 HE21 GLN A 617 -4.593 3.195 -10.311 1.00 32.33 H new ATOM 0 HE22 GLN A 617 -3.861 2.626 -11.815 1.00 32.33 H new ATOM 295 N LEU A 618 -4.102 -0.168 -6.711 1.00 33.32 N ATOM 296 CA LEU A 618 -3.332 0.644 -5.777 1.00 42.31 C ATOM 297 C LEU A 618 -1.903 0.126 -5.654 1.00 1.11 C ATOM 298 O LEU A 618 -0.968 0.897 -5.434 1.00 54.25 O ATOM 299 CB LEU A 618 -4.003 0.653 -4.402 1.00 72.05 C ATOM 300 CG LEU A 618 -3.544 -0.430 -3.424 1.00 60.24 C ATOM 301 CD1 LEU A 618 -2.360 0.060 -2.604 1.00 74.44 C ATOM 302 CD2 LEU A 618 -4.690 -0.848 -2.515 1.00 20.21 C ATOM 0 H LEU A 618 -4.845 -0.717 -6.278 1.00 33.32 H new ATOM 0 HA LEU A 618 -3.298 1.662 -6.164 1.00 42.31 H new ATOM 0 HB2 LEU A 618 -3.831 1.626 -3.942 1.00 72.05 H new ATOM 0 HB3 LEU A 618 -5.079 0.554 -4.544 1.00 72.05 H new ATOM 0 HG LEU A 618 -3.227 -1.301 -3.997 1.00 60.24 H new ATOM 0 HD11 LEU A 618 -2.047 -0.723 -1.914 1.00 74.44 H new ATOM 0 HD12 LEU A 618 -1.534 0.308 -3.270 1.00 74.44 H new ATOM 0 HD13 LEU A 618 -2.650 0.946 -2.040 1.00 74.44 H new ATOM 0 HD21 LEU A 618 -4.345 -1.619 -1.826 1.00 20.21 H new ATOM 0 HD22 LEU A 618 -5.039 0.015 -1.948 1.00 20.21 H new ATOM 0 HD23 LEU A 618 -5.509 -1.240 -3.118 1.00 20.21 H new ATOM 314 N SER A 619 -1.740 -1.185 -5.801 1.00 31.14 N ATOM 315 CA SER A 619 -0.425 -1.807 -5.704 1.00 62.45 C ATOM 316 C SER A 619 0.425 -1.473 -6.927 1.00 4.45 C ATOM 317 O SER A 619 1.635 -1.265 -6.818 1.00 60.14 O ATOM 318 CB SER A 619 -0.563 -3.325 -5.566 1.00 15.45 C ATOM 319 OG SER A 619 -1.342 -3.863 -6.621 1.00 23.43 O ATOM 0 H SER A 619 -2.502 -1.837 -5.988 1.00 31.14 H new ATOM 0 HA SER A 619 0.071 -1.412 -4.817 1.00 62.45 H new ATOM 0 HB2 SER A 619 0.425 -3.785 -5.568 1.00 15.45 H new ATOM 0 HB3 SER A 619 -1.025 -3.566 -4.609 1.00 15.45 H new ATOM 0 HG SER A 619 -1.765 -3.133 -7.120 1.00 23.43 H new ATOM 325 N LEU A 620 -0.215 -1.422 -8.089 1.00 13.42 N ATOM 326 CA LEU A 620 0.479 -1.112 -9.333 1.00 44.04 C ATOM 327 C LEU A 620 0.777 0.380 -9.434 1.00 21.02 C ATOM 328 O LEU A 620 1.910 0.780 -9.703 1.00 12.43 O ATOM 329 CB LEU A 620 -0.358 -1.559 -10.533 1.00 2.32 C ATOM 330 CG LEU A 620 0.180 -1.165 -11.910 1.00 70.42 C ATOM 331 CD1 LEU A 620 0.896 -2.340 -12.559 1.00 55.13 C ATOM 332 CD2 LEU A 620 -0.950 -0.669 -12.800 1.00 42.31 C ATOM 0 H LEU A 620 -1.215 -1.592 -8.196 1.00 13.42 H new ATOM 0 HA LEU A 620 1.425 -1.653 -9.336 1.00 44.04 H new ATOM 0 HB2 LEU A 620 -0.454 -2.644 -10.499 1.00 2.32 H new ATOM 0 HB3 LEU A 620 -1.361 -1.146 -10.425 1.00 2.32 H new ATOM 0 HG LEU A 620 0.898 -0.355 -11.782 1.00 70.42 H new ATOM 0 HD11 LEU A 620 1.272 -2.041 -13.538 1.00 55.13 H new ATOM 0 HD12 LEU A 620 1.730 -2.651 -11.929 1.00 55.13 H new ATOM 0 HD13 LEU A 620 0.200 -3.171 -12.676 1.00 55.13 H new ATOM 0 HD21 LEU A 620 -0.550 -0.393 -13.776 1.00 42.31 H new ATOM 0 HD22 LEU A 620 -1.691 -1.459 -12.922 1.00 42.31 H new ATOM 0 HD23 LEU A 620 -1.420 0.201 -12.341 1.00 42.31 H new ATOM 344 N ASP A 621 -0.245 1.198 -9.214 1.00 55.12 N ATOM 345 CA ASP A 621 -0.093 2.648 -9.277 1.00 35.12 C ATOM 346 C ASP A 621 1.090 3.107 -8.430 1.00 25.41 C ATOM 347 O ASP A 621 2.040 3.699 -8.943 1.00 51.01 O ATOM 348 CB ASP A 621 -1.373 3.338 -8.802 1.00 73.21 C ATOM 349 CG ASP A 621 -2.107 4.034 -9.931 1.00 52.41 C ATOM 350 OD1 ASP A 621 -1.954 3.605 -11.094 1.00 2.14 O ATOM 351 OD2 ASP A 621 -2.835 5.010 -9.652 1.00 33.32 O ATOM 0 H ASP A 621 -1.189 0.883 -8.990 1.00 55.12 H new ATOM 0 HA ASP A 621 0.096 2.924 -10.314 1.00 35.12 H new ATOM 0 HB2 ASP A 621 -2.032 2.600 -8.344 1.00 73.21 H new ATOM 0 HB3 ASP A 621 -1.125 4.066 -8.030 1.00 73.21 H new ATOM 356 N ILE A 622 1.025 2.829 -7.132 1.00 51.14 N ATOM 357 CA ILE A 622 2.090 3.214 -6.215 1.00 24.32 C ATOM 358 C ILE A 622 3.440 2.687 -6.690 1.00 44.31 C ATOM 359 O ILE A 622 4.464 3.356 -6.548 1.00 53.00 O ATOM 360 CB ILE A 622 1.822 2.695 -4.790 1.00 52.22 C ATOM 361 CG1 ILE A 622 0.537 3.310 -4.233 1.00 3.41 C ATOM 362 CG2 ILE A 622 3.003 3.006 -3.882 1.00 14.52 C ATOM 363 CD1 ILE A 622 -0.114 2.476 -3.152 1.00 71.15 C ATOM 0 H ILE A 622 0.246 2.339 -6.692 1.00 51.14 H new ATOM 0 HA ILE A 622 2.113 4.304 -6.197 1.00 24.32 H new ATOM 0 HB ILE A 622 1.696 1.613 -4.831 1.00 52.22 H new ATOM 0 HG12 ILE A 622 0.761 4.299 -3.832 1.00 3.41 H new ATOM 0 HG13 ILE A 622 -0.172 3.450 -5.049 1.00 3.41 H new ATOM 0 HG21 ILE A 622 2.798 2.633 -2.878 1.00 14.52 H new ATOM 0 HG22 ILE A 622 3.899 2.524 -4.273 1.00 14.52 H new ATOM 0 HG23 ILE A 622 3.158 4.084 -3.844 1.00 14.52 H new ATOM 0 HD11 ILE A 622 -1.019 2.974 -2.804 1.00 71.15 H new ATOM 0 HD12 ILE A 622 -0.370 1.496 -3.554 1.00 71.15 H new ATOM 0 HD13 ILE A 622 0.578 2.357 -2.318 1.00 71.15 H new ATOM 375 N ASN A 623 3.435 1.485 -7.256 1.00 45.12 N ATOM 376 CA ASN A 623 4.659 0.868 -7.753 1.00 42.11 C ATOM 377 C ASN A 623 5.261 1.692 -8.888 1.00 0.02 C ATOM 378 O ASN A 623 6.476 1.880 -8.958 1.00 32.00 O ATOM 379 CB ASN A 623 4.379 -0.556 -8.236 1.00 35.03 C ATOM 380 CG ASN A 623 5.646 -1.300 -8.612 1.00 52.02 C ATOM 381 OD1 ASN A 623 6.278 -0.999 -9.625 1.00 51.14 O ATOM 382 ND2 ASN A 623 6.023 -2.277 -7.796 1.00 3.31 N ATOM 0 H ASN A 623 2.596 0.918 -7.382 1.00 45.12 H new ATOM 0 HA ASN A 623 5.376 0.831 -6.933 1.00 42.11 H new ATOM 0 HB2 ASN A 623 3.857 -1.106 -7.453 1.00 35.03 H new ATOM 0 HB3 ASN A 623 3.713 -0.520 -9.098 1.00 35.03 H new ATOM 0 HD21 ASN A 623 6.867 -2.813 -7.998 1.00 3.31 H new ATOM 0 HD22 ASN A 623 5.468 -2.492 -6.967 1.00 3.31 H new ATOM 389 N LYS A 624 4.402 2.182 -9.776 1.00 64.44 N ATOM 390 CA LYS A 624 4.847 2.987 -10.908 1.00 13.45 C ATOM 391 C LYS A 624 5.296 4.370 -10.447 1.00 1.40 C ATOM 392 O LYS A 624 6.156 4.994 -11.071 1.00 41.54 O ATOM 393 CB LYS A 624 3.722 3.122 -11.937 1.00 22.50 C ATOM 394 CG LYS A 624 4.072 4.028 -13.105 1.00 71.42 C ATOM 395 CD LYS A 624 3.152 3.789 -14.291 1.00 31.35 C ATOM 396 CE LYS A 624 2.655 5.099 -14.883 1.00 22.25 C ATOM 397 NZ LYS A 624 3.755 5.869 -15.526 1.00 2.42 N ATOM 0 H LYS A 624 3.393 2.036 -9.734 1.00 64.44 H new ATOM 0 HA LYS A 624 5.696 2.483 -11.370 1.00 13.45 H new ATOM 0 HB2 LYS A 624 3.469 2.133 -12.318 1.00 22.50 H new ATOM 0 HB3 LYS A 624 2.832 3.510 -11.441 1.00 22.50 H new ATOM 0 HG2 LYS A 624 4.001 5.070 -12.793 1.00 71.42 H new ATOM 0 HG3 LYS A 624 5.106 3.855 -13.404 1.00 71.42 H new ATOM 0 HD2 LYS A 624 3.682 3.221 -15.055 1.00 31.35 H new ATOM 0 HD3 LYS A 624 2.301 3.184 -13.977 1.00 31.35 H new ATOM 0 HE2 LYS A 624 1.877 4.893 -15.619 1.00 22.25 H new ATOM 0 HE3 LYS A 624 2.200 5.703 -14.098 1.00 22.25 H new ATOM 0 HZ1 LYS A 624 3.376 6.755 -15.917 1.00 2.42 H new ATOM 0 HZ2 LYS A 624 4.485 6.087 -14.819 1.00 2.42 H new ATOM 0 HZ3 LYS A 624 4.173 5.303 -16.292 1.00 2.42 H new ATOM 411 N LEU A 625 4.711 4.844 -9.353 1.00 21.13 N ATOM 412 CA LEU A 625 5.053 6.153 -8.808 1.00 1.13 C ATOM 413 C LEU A 625 6.526 6.211 -8.414 1.00 72.01 C ATOM 414 O LEU A 625 7.188 5.188 -8.239 1.00 45.32 O ATOM 415 CB LEU A 625 4.176 6.467 -7.595 1.00 31.02 C ATOM 416 CG LEU A 625 3.021 7.440 -7.835 1.00 2.44 C ATOM 417 CD1 LEU A 625 2.220 7.025 -9.059 1.00 10.20 C ATOM 418 CD2 LEU A 625 2.124 7.516 -6.608 1.00 42.23 C ATOM 0 H LEU A 625 3.997 4.341 -8.826 1.00 21.13 H new ATOM 0 HA LEU A 625 4.873 6.900 -9.582 1.00 1.13 H new ATOM 0 HB2 LEU A 625 3.764 5.531 -7.218 1.00 31.02 H new ATOM 0 HB3 LEU A 625 4.811 6.875 -6.809 1.00 31.02 H new ATOM 0 HG LEU A 625 3.437 8.431 -8.017 1.00 2.44 H new ATOM 0 HD11 LEU A 625 1.402 7.729 -9.214 1.00 10.20 H new ATOM 0 HD12 LEU A 625 2.869 7.023 -9.935 1.00 10.20 H new ATOM 0 HD13 LEU A 625 1.814 6.025 -8.906 1.00 10.20 H new ATOM 0 HD21 LEU A 625 1.308 8.213 -6.797 1.00 42.23 H new ATOM 0 HD22 LEU A 625 1.716 6.528 -6.394 1.00 42.23 H new ATOM 0 HD23 LEU A 625 2.705 7.861 -5.753 1.00 42.23 H new ATOM 430 N PRO A 626 7.052 7.436 -8.267 1.00 54.31 N ATOM 431 CA PRO A 626 8.450 7.658 -7.889 1.00 52.44 C ATOM 432 C PRO A 626 8.731 7.259 -6.445 1.00 32.50 C ATOM 433 O PRO A 626 7.809 7.086 -5.648 1.00 72.34 O ATOM 434 CB PRO A 626 8.632 9.167 -8.072 1.00 2.32 C ATOM 435 CG PRO A 626 7.265 9.736 -7.914 1.00 21.24 C ATOM 436 CD PRO A 626 6.320 8.700 -8.459 1.00 13.00 C ATOM 0 HA PRO A 626 9.134 7.057 -8.488 1.00 52.44 H new ATOM 0 HB2 PRO A 626 9.319 9.576 -7.331 1.00 2.32 H new ATOM 0 HB3 PRO A 626 9.047 9.400 -9.053 1.00 2.32 H new ATOM 0 HG2 PRO A 626 7.049 9.949 -6.867 1.00 21.24 H new ATOM 0 HG3 PRO A 626 7.168 10.676 -8.457 1.00 21.24 H new ATOM 0 HD2 PRO A 626 5.371 8.700 -7.923 1.00 13.00 H new ATOM 0 HD3 PRO A 626 6.092 8.877 -9.510 1.00 13.00 H new ATOM 444 N GLY A 627 10.010 7.114 -6.113 1.00 31.42 N ATOM 445 CA GLY A 627 10.388 6.737 -4.763 1.00 63.24 C ATOM 446 C GLY A 627 9.740 7.615 -3.712 1.00 43.44 C ATOM 447 O GLY A 627 9.092 7.117 -2.792 1.00 53.34 O ATOM 0 H GLY A 627 10.791 7.251 -6.754 1.00 31.42 H new ATOM 0 HA2 GLY A 627 10.107 5.698 -4.587 1.00 63.24 H new ATOM 0 HA3 GLY A 627 11.472 6.796 -4.663 1.00 63.24 H new ATOM 451 N GLU A 628 9.917 8.925 -3.847 1.00 42.31 N ATOM 452 CA GLU A 628 9.345 9.875 -2.899 1.00 25.51 C ATOM 453 C GLU A 628 7.864 9.591 -2.671 1.00 23.41 C ATOM 454 O GLU A 628 7.362 9.706 -1.552 1.00 42.21 O ATOM 455 CB GLU A 628 9.530 11.308 -3.403 1.00 71.54 C ATOM 456 CG GLU A 628 9.027 12.364 -2.434 1.00 22.55 C ATOM 457 CD GLU A 628 9.991 12.610 -1.289 1.00 34.20 C ATOM 458 OE1 GLU A 628 10.150 11.705 -0.443 1.00 32.33 O ATOM 459 OE2 GLU A 628 10.584 13.707 -1.238 1.00 62.13 O ATOM 0 H GLU A 628 10.451 9.353 -4.603 1.00 42.31 H new ATOM 0 HA GLU A 628 9.869 9.762 -1.950 1.00 25.51 H new ATOM 0 HB2 GLU A 628 10.588 11.481 -3.599 1.00 71.54 H new ATOM 0 HB3 GLU A 628 9.007 11.420 -4.353 1.00 71.54 H new ATOM 0 HG2 GLU A 628 8.862 13.297 -2.973 1.00 22.55 H new ATOM 0 HG3 GLU A 628 8.063 12.053 -2.032 1.00 22.55 H new ATOM 466 N LYS A 629 7.168 9.219 -3.739 1.00 40.04 N ATOM 467 CA LYS A 629 5.743 8.917 -3.659 1.00 22.14 C ATOM 468 C LYS A 629 5.500 7.660 -2.830 1.00 23.01 C ATOM 469 O LYS A 629 4.780 7.693 -1.830 1.00 25.21 O ATOM 470 CB LYS A 629 5.159 8.737 -5.062 1.00 33.13 C ATOM 471 CG LYS A 629 4.253 9.876 -5.494 1.00 42.41 C ATOM 472 CD LYS A 629 3.077 10.045 -4.546 1.00 75.52 C ATOM 473 CE LYS A 629 3.169 11.348 -3.768 1.00 21.04 C ATOM 474 NZ LYS A 629 1.892 11.670 -3.072 1.00 4.20 N ATOM 0 H LYS A 629 7.568 9.119 -4.672 1.00 40.04 H new ATOM 0 HA LYS A 629 5.246 9.755 -3.171 1.00 22.14 H new ATOM 0 HB2 LYS A 629 5.976 8.643 -5.777 1.00 33.13 H new ATOM 0 HB3 LYS A 629 4.597 7.804 -5.095 1.00 33.13 H new ATOM 0 HG2 LYS A 629 4.826 10.803 -5.533 1.00 42.41 H new ATOM 0 HG3 LYS A 629 3.884 9.686 -6.502 1.00 42.41 H new ATOM 0 HD2 LYS A 629 2.146 10.024 -5.113 1.00 75.52 H new ATOM 0 HD3 LYS A 629 3.046 9.206 -3.850 1.00 75.52 H new ATOM 0 HE2 LYS A 629 3.974 11.278 -3.036 1.00 21.04 H new ATOM 0 HE3 LYS A 629 3.427 12.160 -4.448 1.00 21.04 H new ATOM 0 HZ1 LYS A 629 1.713 12.693 -3.130 1.00 4.20 H new ATOM 0 HZ2 LYS A 629 1.110 11.156 -3.526 1.00 4.20 H new ATOM 0 HZ3 LYS A 629 1.960 11.386 -2.074 1.00 4.20 H new ATOM 488 N LEU A 630 6.104 6.554 -3.248 1.00 42.45 N ATOM 489 CA LEU A 630 5.954 5.285 -2.544 1.00 4.35 C ATOM 490 C LEU A 630 6.348 5.428 -1.077 1.00 13.13 C ATOM 491 O LEU A 630 5.696 4.876 -0.192 1.00 1.41 O ATOM 492 CB LEU A 630 6.807 4.205 -3.210 1.00 72.44 C ATOM 493 CG LEU A 630 6.464 2.760 -2.847 1.00 52.33 C ATOM 494 CD1 LEU A 630 6.197 1.943 -4.101 1.00 44.54 C ATOM 495 CD2 LEU A 630 7.585 2.135 -2.029 1.00 71.21 C ATOM 0 H LEU A 630 6.703 6.510 -4.072 1.00 42.45 H new ATOM 0 HA LEU A 630 4.905 4.992 -2.593 1.00 4.35 H new ATOM 0 HB2 LEU A 630 6.721 4.317 -4.291 1.00 72.44 H new ATOM 0 HB3 LEU A 630 7.851 4.385 -2.953 1.00 72.44 H new ATOM 0 HG LEU A 630 5.558 2.763 -2.241 1.00 52.33 H new ATOM 0 HD11 LEU A 630 5.955 0.917 -3.822 1.00 44.54 H new ATOM 0 HD12 LEU A 630 5.360 2.378 -4.647 1.00 44.54 H new ATOM 0 HD13 LEU A 630 7.085 1.947 -4.734 1.00 44.54 H new ATOM 0 HD21 LEU A 630 7.324 1.107 -1.780 1.00 71.21 H new ATOM 0 HD22 LEU A 630 8.508 2.144 -2.609 1.00 71.21 H new ATOM 0 HD23 LEU A 630 7.728 2.706 -1.111 1.00 71.21 H new ATOM 507 N GLY A 631 7.419 6.176 -0.827 1.00 61.32 N ATOM 508 CA GLY A 631 7.881 6.379 0.534 1.00 13.32 C ATOM 509 C GLY A 631 6.776 6.860 1.454 1.00 4.20 C ATOM 510 O GLY A 631 6.699 6.446 2.611 1.00 55.21 O ATOM 0 H GLY A 631 7.975 6.645 -1.543 1.00 61.32 H new ATOM 0 HA2 GLY A 631 8.290 5.445 0.919 1.00 13.32 H new ATOM 0 HA3 GLY A 631 8.693 7.106 0.535 1.00 13.32 H new ATOM 514 N ARG A 632 5.921 7.738 0.941 1.00 54.24 N ATOM 515 CA ARG A 632 4.817 8.279 1.726 1.00 62.55 C ATOM 516 C ARG A 632 3.772 7.202 2.006 1.00 51.50 C ATOM 517 O ARG A 632 3.213 7.136 3.101 1.00 52.20 O ATOM 518 CB ARG A 632 4.170 9.456 0.994 1.00 64.42 C ATOM 519 CG ARG A 632 4.583 10.813 1.538 1.00 21.34 C ATOM 520 CD ARG A 632 4.839 11.809 0.418 1.00 43.03 C ATOM 521 NE ARG A 632 4.417 13.160 0.779 1.00 74.43 N ATOM 522 CZ ARG A 632 5.090 13.941 1.615 1.00 53.31 C ATOM 523 NH1 ARG A 632 6.212 13.509 2.174 1.00 52.42 N ATOM 524 NH2 ARG A 632 4.641 15.158 1.894 1.00 5.22 N ATOM 0 H ARG A 632 5.971 8.090 -0.015 1.00 54.24 H new ATOM 0 HA ARG A 632 5.217 8.629 2.677 1.00 62.55 H new ATOM 0 HB2 ARG A 632 4.431 9.403 -0.063 1.00 64.42 H new ATOM 0 HB3 ARG A 632 3.086 9.362 1.060 1.00 64.42 H new ATOM 0 HG2 ARG A 632 3.802 11.196 2.195 1.00 21.34 H new ATOM 0 HG3 ARG A 632 5.483 10.705 2.143 1.00 21.34 H new ATOM 0 HD2 ARG A 632 5.901 11.814 0.174 1.00 43.03 H new ATOM 0 HD3 ARG A 632 4.307 11.491 -0.479 1.00 43.03 H new ATOM 0 HE ARG A 632 3.558 13.523 0.366 1.00 74.43 H new ATOM 0 HH11 ARG A 632 6.560 12.574 1.962 1.00 52.42 H new ATOM 0 HH12 ARG A 632 6.727 14.112 2.816 1.00 52.42 H new ATOM 0 HH21 ARG A 632 3.778 15.494 1.466 1.00 5.22 H new ATOM 0 HH22 ARG A 632 5.159 15.758 2.537 1.00 5.22 H new ATOM 538 N VAL A 633 3.512 6.363 1.009 1.00 3.15 N ATOM 539 CA VAL A 633 2.535 5.291 1.148 1.00 31.51 C ATOM 540 C VAL A 633 2.950 4.306 2.235 1.00 75.31 C ATOM 541 O VAL A 633 2.216 4.081 3.198 1.00 24.30 O ATOM 542 CB VAL A 633 2.347 4.527 -0.176 1.00 50.04 C ATOM 543 CG1 VAL A 633 1.318 3.419 -0.013 1.00 52.25 C ATOM 544 CG2 VAL A 633 1.943 5.482 -1.289 1.00 51.22 C ATOM 0 H VAL A 633 3.965 6.405 0.096 1.00 3.15 H new ATOM 0 HA VAL A 633 1.591 5.759 1.426 1.00 31.51 H new ATOM 0 HB VAL A 633 3.298 4.069 -0.449 1.00 50.04 H new ATOM 0 HG11 VAL A 633 1.199 2.891 -0.959 1.00 52.25 H new ATOM 0 HG12 VAL A 633 1.654 2.720 0.753 1.00 52.25 H new ATOM 0 HG13 VAL A 633 0.362 3.851 0.284 1.00 52.25 H new ATOM 0 HG21 VAL A 633 1.814 4.925 -2.217 1.00 51.22 H new ATOM 0 HG22 VAL A 633 1.005 5.971 -1.026 1.00 51.22 H new ATOM 0 HG23 VAL A 633 2.720 6.235 -1.422 1.00 51.22 H new ATOM 554 N VAL A 634 4.132 3.721 2.076 1.00 43.12 N ATOM 555 CA VAL A 634 4.647 2.761 3.044 1.00 23.21 C ATOM 556 C VAL A 634 4.591 3.324 4.460 1.00 43.24 C ATOM 557 O VAL A 634 4.420 2.583 5.429 1.00 62.13 O ATOM 558 CB VAL A 634 6.099 2.360 2.721 1.00 71.24 C ATOM 559 CG1 VAL A 634 6.969 3.596 2.548 1.00 31.32 C ATOM 560 CG2 VAL A 634 6.656 1.452 3.807 1.00 23.13 C ATOM 0 H VAL A 634 4.752 3.895 1.285 1.00 43.12 H new ATOM 0 HA VAL A 634 4.011 1.878 2.981 1.00 23.21 H new ATOM 0 HB VAL A 634 6.104 1.808 1.781 1.00 71.24 H new ATOM 0 HG11 VAL A 634 7.991 3.293 2.320 1.00 31.32 H new ATOM 0 HG12 VAL A 634 6.580 4.203 1.731 1.00 31.32 H new ATOM 0 HG13 VAL A 634 6.960 4.179 3.469 1.00 31.32 H new ATOM 0 HG21 VAL A 634 7.682 1.179 3.562 1.00 23.13 H new ATOM 0 HG22 VAL A 634 6.638 1.975 4.763 1.00 23.13 H new ATOM 0 HG23 VAL A 634 6.047 0.550 3.875 1.00 23.13 H new ATOM 570 N HIS A 635 4.736 4.640 4.573 1.00 44.32 N ATOM 571 CA HIS A 635 4.702 5.305 5.871 1.00 71.52 C ATOM 572 C HIS A 635 3.317 5.191 6.502 1.00 24.04 C ATOM 573 O HIS A 635 3.189 5.072 7.721 1.00 1.10 O ATOM 574 CB HIS A 635 5.088 6.776 5.725 1.00 11.32 C ATOM 575 CG HIS A 635 5.998 7.267 6.809 1.00 12.23 C ATOM 576 ND1 HIS A 635 7.286 6.806 6.976 1.00 4.33 N ATOM 577 CD2 HIS A 635 5.799 8.186 7.783 1.00 52.12 C ATOM 578 CE1 HIS A 635 7.840 7.419 8.008 1.00 44.33 C ATOM 579 NE2 HIS A 635 6.958 8.262 8.514 1.00 22.42 N ATOM 0 H HIS A 635 4.878 5.267 3.781 1.00 44.32 H new ATOM 0 HA HIS A 635 5.423 4.812 6.523 1.00 71.52 H new ATOM 0 HB2 HIS A 635 5.574 6.922 4.760 1.00 11.32 H new ATOM 0 HB3 HIS A 635 4.182 7.382 5.720 1.00 11.32 H new ATOM 0 HD2 HIS A 635 4.896 8.754 7.953 1.00 52.12 H new ATOM 0 HE1 HIS A 635 8.843 7.258 8.375 1.00 44.33 H new ATOM 0 HE2 HIS A 635 7.113 8.871 9.318 1.00 22.42 H new ATOM 587 N ILE A 636 2.286 5.228 5.666 1.00 44.13 N ATOM 588 CA ILE A 636 0.912 5.129 6.143 1.00 70.35 C ATOM 589 C ILE A 636 0.642 3.760 6.758 1.00 35.21 C ATOM 590 O ILE A 636 0.278 3.656 7.930 1.00 13.21 O ATOM 591 CB ILE A 636 -0.098 5.376 5.006 1.00 0.30 C ATOM 592 CG1 ILE A 636 0.393 6.503 4.095 1.00 10.34 C ATOM 593 CG2 ILE A 636 -1.468 5.707 5.578 1.00 3.43 C ATOM 594 CD1 ILE A 636 -0.681 7.051 3.181 1.00 11.45 C ATOM 0 H ILE A 636 2.375 5.326 4.655 1.00 44.13 H new ATOM 0 HA ILE A 636 0.786 5.899 6.904 1.00 70.35 H new ATOM 0 HB ILE A 636 -0.185 4.466 4.412 1.00 0.30 H new ATOM 0 HG12 ILE A 636 0.783 7.313 4.711 1.00 10.34 H new ATOM 0 HG13 ILE A 636 1.221 6.135 3.490 1.00 10.34 H new ATOM 0 HG21 ILE A 636 -2.171 5.879 4.763 1.00 3.43 H new ATOM 0 HG22 ILE A 636 -1.818 4.875 6.189 1.00 3.43 H new ATOM 0 HG23 ILE A 636 -1.399 6.605 6.192 1.00 3.43 H new ATOM 0 HD11 ILE A 636 -0.263 7.846 2.564 1.00 11.45 H new ATOM 0 HD12 ILE A 636 -1.055 6.253 2.540 1.00 11.45 H new ATOM 0 HD13 ILE A 636 -1.500 7.449 3.780 1.00 11.45 H new ATOM 606 N ILE A 637 0.825 2.712 5.962 1.00 35.10 N ATOM 607 CA ILE A 637 0.603 1.350 6.430 1.00 60.31 C ATOM 608 C ILE A 637 1.499 1.024 7.619 1.00 2.43 C ATOM 609 O ILE A 637 1.167 0.174 8.444 1.00 2.13 O ATOM 610 CB ILE A 637 0.860 0.321 5.312 1.00 2.32 C ATOM 611 CG1 ILE A 637 -0.072 0.581 4.127 1.00 53.20 C ATOM 612 CG2 ILE A 637 0.674 -1.092 5.840 1.00 71.44 C ATOM 613 CD1 ILE A 637 0.607 1.265 2.962 1.00 42.33 C ATOM 0 H ILE A 637 1.126 2.780 4.990 1.00 35.10 H new ATOM 0 HA ILE A 637 -0.441 1.289 6.737 1.00 60.31 H new ATOM 0 HB ILE A 637 1.890 0.426 4.970 1.00 2.32 H new ATOM 0 HG12 ILE A 637 -0.489 -0.368 3.788 1.00 53.20 H new ATOM 0 HG13 ILE A 637 -0.908 1.195 4.461 1.00 53.20 H new ATOM 0 HG21 ILE A 637 0.859 -1.807 5.039 1.00 71.44 H new ATOM 0 HG22 ILE A 637 1.375 -1.271 6.655 1.00 71.44 H new ATOM 0 HG23 ILE A 637 -0.346 -1.213 6.206 1.00 71.44 H new ATOM 0 HD11 ILE A 637 -0.114 1.417 2.159 1.00 42.33 H new ATOM 0 HD12 ILE A 637 1.000 2.229 3.285 1.00 42.33 H new ATOM 0 HD13 ILE A 637 1.426 0.642 2.601 1.00 42.33 H new ATOM 625 N GLN A 638 2.636 1.709 7.702 1.00 20.01 N ATOM 626 CA GLN A 638 3.579 1.494 8.792 1.00 21.10 C ATOM 627 C GLN A 638 2.956 1.867 10.133 1.00 60.11 C ATOM 628 O GLN A 638 3.169 1.189 11.138 1.00 61.35 O ATOM 629 CB GLN A 638 4.852 2.311 8.562 1.00 53.12 C ATOM 630 CG GLN A 638 5.999 1.501 7.980 1.00 74.23 C ATOM 631 CD GLN A 638 7.252 2.328 7.772 1.00 54.42 C ATOM 632 OE1 GLN A 638 8.177 2.289 8.583 1.00 34.12 O ATOM 633 NE2 GLN A 638 7.288 3.084 6.682 1.00 70.15 N ATOM 0 H GLN A 638 2.925 2.417 7.027 1.00 20.01 H new ATOM 0 HA GLN A 638 3.835 0.435 8.814 1.00 21.10 H new ATOM 0 HB2 GLN A 638 4.626 3.139 7.890 1.00 53.12 H new ATOM 0 HB3 GLN A 638 5.170 2.747 9.509 1.00 53.12 H new ATOM 0 HG2 GLN A 638 6.225 0.668 8.646 1.00 74.23 H new ATOM 0 HG3 GLN A 638 5.689 1.072 7.027 1.00 74.23 H new ATOM 0 HE21 GLN A 638 6.498 3.086 6.036 1.00 70.15 H new ATOM 0 HE22 GLN A 638 8.105 3.663 6.490 1.00 70.15 H new ATOM 642 N SER A 639 2.186 2.950 10.141 1.00 42.31 N ATOM 643 CA SER A 639 1.536 3.416 11.360 1.00 13.54 C ATOM 644 C SER A 639 0.101 2.903 11.441 1.00 53.24 C ATOM 645 O SER A 639 -0.466 2.779 12.527 1.00 63.05 O ATOM 646 CB SER A 639 1.546 4.945 11.417 1.00 73.43 C ATOM 647 OG SER A 639 0.322 5.445 11.926 1.00 63.13 O ATOM 0 H SER A 639 1.997 3.521 9.317 1.00 42.31 H new ATOM 0 HA SER A 639 2.093 3.024 12.211 1.00 13.54 H new ATOM 0 HB2 SER A 639 2.370 5.283 12.046 1.00 73.43 H new ATOM 0 HB3 SER A 639 1.720 5.348 10.419 1.00 73.43 H new ATOM 0 HG SER A 639 0.355 6.424 11.954 1.00 63.13 H new ATOM 653 N ARG A 640 -0.480 2.607 10.283 1.00 70.42 N ATOM 654 CA ARG A 640 -1.849 2.107 10.220 1.00 40.51 C ATOM 655 C ARG A 640 -1.903 0.625 10.576 1.00 74.13 C ATOM 656 O ARG A 640 -2.897 0.144 11.119 1.00 33.43 O ATOM 657 CB ARG A 640 -2.432 2.330 8.824 1.00 51.52 C ATOM 658 CG ARG A 640 -3.244 3.610 8.701 1.00 40.24 C ATOM 659 CD ARG A 640 -2.421 4.831 9.082 1.00 74.21 C ATOM 660 NE ARG A 640 -3.208 6.060 9.026 1.00 33.11 N ATOM 661 CZ ARG A 640 -2.704 7.266 9.263 1.00 52.12 C ATOM 662 NH1 ARG A 640 -1.422 7.404 9.570 1.00 4.11 N ATOM 663 NH2 ARG A 640 -3.484 8.338 9.192 1.00 24.40 N ATOM 0 H ARG A 640 -0.024 2.705 9.376 1.00 70.42 H new ATOM 0 HA ARG A 640 -2.445 2.659 10.947 1.00 40.51 H new ATOM 0 HB2 ARG A 640 -1.618 2.355 8.099 1.00 51.52 H new ATOM 0 HB3 ARG A 640 -3.065 1.482 8.564 1.00 51.52 H new ATOM 0 HG2 ARG A 640 -3.603 3.717 7.678 1.00 40.24 H new ATOM 0 HG3 ARG A 640 -4.123 3.548 9.343 1.00 40.24 H new ATOM 0 HD2 ARG A 640 -2.023 4.701 10.088 1.00 74.21 H new ATOM 0 HD3 ARG A 640 -1.567 4.916 8.410 1.00 74.21 H new ATOM 0 HE ARG A 640 -4.198 5.988 8.792 1.00 33.11 H new ATOM 0 HH11 ARG A 640 -0.819 6.583 9.625 1.00 4.11 H new ATOM 0 HH12 ARG A 640 -1.038 8.331 9.751 1.00 4.11 H new ATOM 0 HH21 ARG A 640 -4.471 8.236 8.955 1.00 24.40 H new ATOM 0 HH22 ARG A 640 -3.096 9.264 9.374 1.00 24.40 H new ATOM 677 N GLU A 641 -0.830 -0.094 10.263 1.00 1.11 N ATOM 678 CA GLU A 641 -0.758 -1.521 10.548 1.00 65.23 C ATOM 679 C GLU A 641 0.001 -1.780 11.847 1.00 43.20 C ATOM 680 O GLU A 641 1.226 -1.671 11.912 1.00 43.05 O ATOM 681 CB GLU A 641 -0.079 -2.261 9.393 1.00 73.24 C ATOM 682 CG GLU A 641 -0.081 -3.772 9.552 1.00 34.24 C ATOM 683 CD GLU A 641 1.053 -4.440 8.802 1.00 43.32 C ATOM 684 OE1 GLU A 641 1.825 -3.723 8.131 1.00 55.31 O ATOM 685 OE2 GLU A 641 1.171 -5.681 8.886 1.00 23.02 O ATOM 0 H GLU A 641 0.001 0.289 9.812 1.00 1.11 H new ATOM 0 HA GLU A 641 -1.776 -1.894 10.661 1.00 65.23 H new ATOM 0 HB2 GLU A 641 -0.582 -2.002 8.461 1.00 73.24 H new ATOM 0 HB3 GLU A 641 0.951 -1.915 9.307 1.00 73.24 H new ATOM 0 HG2 GLU A 641 -0.008 -4.022 10.610 1.00 34.24 H new ATOM 0 HG3 GLU A 641 -1.031 -4.170 9.195 1.00 34.24 H new ATOM 692 N PRO A 642 -0.742 -2.128 12.907 1.00 72.23 N ATOM 693 CA PRO A 642 -0.161 -2.409 14.223 1.00 11.02 C ATOM 694 C PRO A 642 0.644 -3.704 14.238 1.00 32.33 C ATOM 695 O PRO A 642 1.697 -3.784 14.868 1.00 23.55 O ATOM 696 CB PRO A 642 -1.386 -2.530 15.132 1.00 32.53 C ATOM 697 CG PRO A 642 -2.495 -2.935 14.223 1.00 20.13 C ATOM 698 CD PRO A 642 -2.208 -2.277 12.902 1.00 5.32 C ATOM 0 HA PRO A 642 0.542 -1.635 14.532 1.00 11.02 H new ATOM 0 HB2 PRO A 642 -1.226 -3.271 15.915 1.00 32.53 H new ATOM 0 HB3 PRO A 642 -1.606 -1.584 15.628 1.00 32.53 H new ATOM 0 HG2 PRO A 642 -2.537 -4.019 14.118 1.00 20.13 H new ATOM 0 HG3 PRO A 642 -3.459 -2.615 14.617 1.00 20.13 H new ATOM 0 HD2 PRO A 642 -2.547 -2.889 12.066 1.00 5.32 H new ATOM 0 HD3 PRO A 642 -2.710 -1.313 12.816 1.00 5.32 H new ATOM 706 N SER A 643 0.140 -4.716 13.539 1.00 45.11 N ATOM 707 CA SER A 643 0.812 -6.009 13.474 1.00 12.24 C ATOM 708 C SER A 643 2.256 -5.849 13.008 1.00 33.30 C ATOM 709 O SER A 643 3.119 -6.666 13.332 1.00 34.31 O ATOM 710 CB SER A 643 0.061 -6.951 12.530 1.00 54.01 C ATOM 711 OG SER A 643 -1.209 -6.424 12.188 1.00 42.34 O ATOM 0 H SER A 643 -0.731 -4.666 13.010 1.00 45.11 H new ATOM 0 HA SER A 643 0.818 -6.438 14.476 1.00 12.24 H new ATOM 0 HB2 SER A 643 0.648 -7.109 11.625 1.00 54.01 H new ATOM 0 HB3 SER A 643 -0.062 -7.925 13.004 1.00 54.01 H new ATOM 0 HG SER A 643 -1.110 -5.784 11.453 1.00 42.34 H new ATOM 717 N LEU A 644 2.511 -4.791 12.246 1.00 31.32 N ATOM 718 CA LEU A 644 3.850 -4.522 11.736 1.00 71.25 C ATOM 719 C LEU A 644 4.891 -4.647 12.843 1.00 41.41 C ATOM 720 O LEU A 644 4.993 -3.784 13.715 1.00 41.15 O ATOM 721 CB LEU A 644 3.911 -3.124 11.118 1.00 51.02 C ATOM 722 CG LEU A 644 5.291 -2.650 10.663 1.00 62.02 C ATOM 723 CD1 LEU A 644 5.175 -1.777 9.424 1.00 72.00 C ATOM 724 CD2 LEU A 644 5.992 -1.897 11.785 1.00 41.14 C ATOM 0 H LEU A 644 1.808 -4.106 11.968 1.00 31.32 H new ATOM 0 HA LEU A 644 4.074 -5.262 10.968 1.00 71.25 H new ATOM 0 HB2 LEU A 644 3.239 -3.099 10.260 1.00 51.02 H new ATOM 0 HB3 LEU A 644 3.526 -2.410 11.846 1.00 51.02 H new ATOM 0 HG LEU A 644 5.889 -3.525 10.410 1.00 62.02 H new ATOM 0 HD11 LEU A 644 6.168 -1.449 9.115 1.00 72.00 H new ATOM 0 HD12 LEU A 644 4.715 -2.349 8.618 1.00 72.00 H new ATOM 0 HD13 LEU A 644 4.559 -0.906 9.649 1.00 72.00 H new ATOM 0 HD21 LEU A 644 6.973 -1.567 11.444 1.00 41.14 H new ATOM 0 HD22 LEU A 644 5.396 -1.030 12.069 1.00 41.14 H new ATOM 0 HD23 LEU A 644 6.110 -2.555 12.646 1.00 41.14 H new ATOM 736 N LYS A 645 5.665 -5.726 12.801 1.00 22.42 N ATOM 737 CA LYS A 645 6.702 -5.963 13.799 1.00 74.53 C ATOM 738 C LYS A 645 8.041 -6.263 13.132 1.00 51.52 C ATOM 739 O LYS A 645 8.833 -7.057 13.637 1.00 33.00 O ATOM 740 CB LYS A 645 6.304 -7.126 14.711 1.00 0.13 C ATOM 741 CG LYS A 645 5.106 -6.823 15.596 1.00 70.34 C ATOM 742 CD LYS A 645 5.436 -7.016 17.066 1.00 54.23 C ATOM 743 CE LYS A 645 4.209 -6.816 17.943 1.00 1.22 C ATOM 744 NZ LYS A 645 4.506 -5.959 19.125 1.00 73.13 N ATOM 0 H LYS A 645 5.594 -6.451 12.087 1.00 22.42 H new ATOM 0 HA LYS A 645 6.808 -5.058 14.398 1.00 74.53 H new ATOM 0 HB2 LYS A 645 6.080 -7.998 14.097 1.00 0.13 H new ATOM 0 HB3 LYS A 645 7.153 -7.390 15.341 1.00 0.13 H new ATOM 0 HG2 LYS A 645 4.778 -5.797 15.427 1.00 70.34 H new ATOM 0 HG3 LYS A 645 4.275 -7.473 15.320 1.00 70.34 H new ATOM 0 HD2 LYS A 645 5.837 -8.018 17.222 1.00 54.23 H new ATOM 0 HD3 LYS A 645 6.214 -6.312 17.361 1.00 54.23 H new ATOM 0 HE2 LYS A 645 3.413 -6.360 17.355 1.00 1.22 H new ATOM 0 HE3 LYS A 645 3.842 -7.785 18.280 1.00 1.22 H new ATOM 0 HZ1 LYS A 645 3.645 -5.847 19.697 1.00 73.13 H new ATOM 0 HZ2 LYS A 645 5.248 -6.406 19.700 1.00 73.13 H new ATOM 0 HZ3 LYS A 645 4.832 -5.025 18.804 1.00 73.13 H new ATOM 758 N ASN A 646 8.286 -5.620 11.995 1.00 3.54 N ATOM 759 CA ASN A 646 9.530 -5.816 11.260 1.00 44.34 C ATOM 760 C ASN A 646 10.730 -5.361 12.086 1.00 35.10 C ATOM 761 O ASN A 646 10.728 -4.267 12.650 1.00 31.13 O ATOM 762 CB ASN A 646 9.490 -5.051 9.935 1.00 63.42 C ATOM 763 CG ASN A 646 8.870 -5.866 8.816 1.00 10.43 C ATOM 764 OD1 ASN A 646 9.340 -6.957 8.493 1.00 53.04 O ATOM 765 ND2 ASN A 646 7.808 -5.337 8.219 1.00 1.22 N ATOM 0 H ASN A 646 7.640 -4.959 11.563 1.00 3.54 H new ATOM 0 HA ASN A 646 9.636 -6.881 11.055 1.00 44.34 H new ATOM 0 HB2 ASN A 646 8.923 -4.130 10.067 1.00 63.42 H new ATOM 0 HB3 ASN A 646 10.503 -4.764 9.654 1.00 63.42 H new ATOM 0 HD21 ASN A 646 7.347 -5.838 7.459 1.00 1.22 H new ATOM 0 HD22 ASN A 646 7.453 -4.429 8.520 1.00 1.22 H new ATOM 772 N SER A 647 11.751 -6.208 12.153 1.00 21.31 N ATOM 773 CA SER A 647 12.955 -5.894 12.914 1.00 45.14 C ATOM 774 C SER A 647 13.590 -4.599 12.416 1.00 3.01 C ATOM 775 O SER A 647 14.165 -3.839 13.193 1.00 5.51 O ATOM 776 CB SER A 647 13.963 -7.041 12.810 1.00 75.53 C ATOM 777 OG SER A 647 14.615 -7.035 11.551 1.00 14.23 O ATOM 0 H SER A 647 11.769 -7.117 11.690 1.00 21.31 H new ATOM 0 HA SER A 647 12.671 -5.762 13.958 1.00 45.14 H new ATOM 0 HB2 SER A 647 14.702 -6.953 13.606 1.00 75.53 H new ATOM 0 HB3 SER A 647 13.452 -7.993 12.954 1.00 75.53 H new ATOM 0 HG SER A 647 15.255 -7.776 11.510 1.00 14.23 H new ATOM 783 N ASN A 648 13.480 -4.355 11.114 1.00 33.33 N ATOM 784 CA ASN A 648 14.042 -3.152 10.511 1.00 25.02 C ATOM 785 C ASN A 648 12.946 -2.290 9.894 1.00 45.42 C ATOM 786 O ASN A 648 12.028 -2.784 9.239 1.00 45.44 O ATOM 787 CB ASN A 648 15.075 -3.526 9.446 1.00 4.51 C ATOM 788 CG ASN A 648 14.437 -4.119 8.205 1.00 31.04 C ATOM 789 OD1 ASN A 648 13.771 -5.153 8.270 1.00 11.51 O ATOM 790 ND2 ASN A 648 14.639 -3.467 7.066 1.00 13.33 N ATOM 0 H ASN A 648 13.007 -4.975 10.456 1.00 33.33 H new ATOM 0 HA ASN A 648 14.532 -2.576 11.296 1.00 25.02 H new ATOM 0 HB2 ASN A 648 15.645 -2.639 9.170 1.00 4.51 H new ATOM 0 HB3 ASN A 648 15.782 -4.242 9.865 1.00 4.51 H new ATOM 0 HD21 ASN A 648 14.235 -3.819 6.198 1.00 13.33 H new ATOM 0 HD22 ASN A 648 15.198 -2.614 7.059 1.00 13.33 H new ATOM 797 N PRO A 649 13.044 -0.968 10.104 1.00 31.11 N ATOM 798 CA PRO A 649 12.071 -0.009 9.575 1.00 50.21 C ATOM 799 C PRO A 649 12.157 0.128 8.059 1.00 75.54 C ATOM 800 O PRO A 649 11.337 0.806 7.439 1.00 4.51 O ATOM 801 CB PRO A 649 12.464 1.306 10.253 1.00 72.22 C ATOM 802 CG PRO A 649 13.911 1.149 10.573 1.00 53.12 C ATOM 803 CD PRO A 649 14.113 -0.310 10.875 1.00 71.33 C ATOM 0 HA PRO A 649 11.045 -0.318 9.775 1.00 50.21 H new ATOM 0 HB2 PRO A 649 12.294 2.157 9.594 1.00 72.22 H new ATOM 0 HB3 PRO A 649 11.876 1.478 11.154 1.00 72.22 H new ATOM 0 HG2 PRO A 649 14.532 1.463 9.734 1.00 53.12 H new ATOM 0 HG3 PRO A 649 14.191 1.766 11.426 1.00 53.12 H new ATOM 0 HD2 PRO A 649 15.101 -0.652 10.565 1.00 71.33 H new ATOM 0 HD3 PRO A 649 14.024 -0.516 11.942 1.00 71.33 H new ATOM 811 N ASP A 650 13.152 -0.522 7.466 1.00 11.34 N ATOM 812 CA ASP A 650 13.344 -0.474 6.021 1.00 34.44 C ATOM 813 C ASP A 650 12.588 -1.608 5.336 1.00 64.14 C ATOM 814 O ASP A 650 12.910 -1.990 4.210 1.00 1.34 O ATOM 815 CB ASP A 650 14.832 -0.558 5.679 1.00 1.44 C ATOM 816 CG ASP A 650 15.717 -0.173 6.850 1.00 72.13 C ATOM 817 OD1 ASP A 650 15.551 0.947 7.375 1.00 35.24 O ATOM 818 OD2 ASP A 650 16.577 -0.992 7.238 1.00 52.21 O ATOM 0 H ASP A 650 13.839 -1.089 7.964 1.00 11.34 H new ATOM 0 HA ASP A 650 12.949 0.475 5.658 1.00 34.44 H new ATOM 0 HB2 ASP A 650 15.073 -1.573 5.363 1.00 1.44 H new ATOM 0 HB3 ASP A 650 15.046 0.097 4.835 1.00 1.44 H new ATOM 823 N GLU A 651 11.581 -2.142 6.021 1.00 44.14 N ATOM 824 CA GLU A 651 10.782 -3.233 5.478 1.00 51.34 C ATOM 825 C GLU A 651 9.343 -3.153 5.977 1.00 32.42 C ATOM 826 O GLU A 651 9.095 -2.837 7.142 1.00 61.54 O ATOM 827 CB GLU A 651 11.393 -4.583 5.860 1.00 15.42 C ATOM 828 CG GLU A 651 11.701 -5.472 4.666 1.00 11.43 C ATOM 829 CD GLU A 651 12.481 -6.714 5.051 1.00 52.43 C ATOM 830 OE1 GLU A 651 12.201 -7.280 6.129 1.00 55.44 O ATOM 831 OE2 GLU A 651 13.370 -7.120 4.275 1.00 63.44 O ATOM 0 H GLU A 651 11.300 -1.836 6.953 1.00 44.14 H new ATOM 0 HA GLU A 651 10.777 -3.140 4.392 1.00 51.34 H new ATOM 0 HB2 GLU A 651 12.312 -4.411 6.421 1.00 15.42 H new ATOM 0 HB3 GLU A 651 10.707 -5.107 6.525 1.00 15.42 H new ATOM 0 HG2 GLU A 651 10.768 -5.767 4.187 1.00 11.43 H new ATOM 0 HG3 GLU A 651 12.270 -4.903 3.931 1.00 11.43 H new ATOM 838 N ILE A 652 8.397 -3.443 5.090 1.00 50.34 N ATOM 839 CA ILE A 652 6.983 -3.405 5.441 1.00 34.33 C ATOM 840 C ILE A 652 6.211 -4.516 4.736 1.00 22.53 C ATOM 841 O ILE A 652 6.509 -4.863 3.594 1.00 40.42 O ATOM 842 CB ILE A 652 6.350 -2.048 5.081 1.00 33.20 C ATOM 843 CG1 ILE A 652 5.545 -1.506 6.265 1.00 12.40 C ATOM 844 CG2 ILE A 652 5.465 -2.186 3.851 1.00 12.04 C ATOM 845 CD1 ILE A 652 4.301 -0.750 5.854 1.00 25.13 C ATOM 0 H ILE A 652 8.584 -3.707 4.123 1.00 50.34 H new ATOM 0 HA ILE A 652 6.922 -3.551 6.519 1.00 34.33 H new ATOM 0 HB ILE A 652 7.147 -1.341 4.853 1.00 33.20 H new ATOM 0 HG12 ILE A 652 5.259 -2.337 6.910 1.00 12.40 H new ATOM 0 HG13 ILE A 652 6.182 -0.848 6.856 1.00 12.40 H new ATOM 0 HG21 ILE A 652 5.025 -1.219 3.609 1.00 12.04 H new ATOM 0 HG22 ILE A 652 6.064 -2.533 3.009 1.00 12.04 H new ATOM 0 HG23 ILE A 652 4.671 -2.906 4.053 1.00 12.04 H new ATOM 0 HD11 ILE A 652 3.780 -0.395 6.743 1.00 25.13 H new ATOM 0 HD12 ILE A 652 4.581 0.101 5.233 1.00 25.13 H new ATOM 0 HD13 ILE A 652 3.644 -1.411 5.289 1.00 25.13 H new ATOM 857 N GLU A 653 5.218 -5.069 5.426 1.00 4.42 N ATOM 858 CA GLU A 653 4.403 -6.140 4.865 1.00 64.51 C ATOM 859 C GLU A 653 2.958 -5.687 4.685 1.00 71.03 C ATOM 860 O GLU A 653 2.174 -5.682 5.635 1.00 64.54 O ATOM 861 CB GLU A 653 4.453 -7.375 5.768 1.00 64.11 C ATOM 862 CG GLU A 653 3.908 -8.631 5.111 1.00 52.01 C ATOM 863 CD GLU A 653 3.276 -9.583 6.108 1.00 64.24 C ATOM 864 OE1 GLU A 653 2.427 -9.132 6.905 1.00 41.52 O ATOM 865 OE2 GLU A 653 3.630 -10.781 6.090 1.00 24.14 O ATOM 0 H GLU A 653 4.959 -4.793 6.373 1.00 4.42 H new ATOM 0 HA GLU A 653 4.809 -6.397 3.887 1.00 64.51 H new ATOM 0 HB2 GLU A 653 5.485 -7.552 6.071 1.00 64.11 H new ATOM 0 HB3 GLU A 653 3.885 -7.174 6.676 1.00 64.11 H new ATOM 0 HG2 GLU A 653 3.168 -8.352 4.361 1.00 52.01 H new ATOM 0 HG3 GLU A 653 4.716 -9.143 4.587 1.00 52.01 H new ATOM 872 N ILE A 654 2.613 -5.305 3.459 1.00 21.21 N ATOM 873 CA ILE A 654 1.262 -4.850 3.153 1.00 24.23 C ATOM 874 C ILE A 654 0.425 -5.976 2.555 1.00 10.03 C ATOM 875 O ILE A 654 0.636 -6.380 1.412 1.00 21.35 O ATOM 876 CB ILE A 654 1.276 -3.661 2.176 1.00 41.33 C ATOM 877 CG1 ILE A 654 2.304 -2.619 2.621 1.00 11.34 C ATOM 878 CG2 ILE A 654 -0.109 -3.040 2.077 1.00 43.21 C ATOM 879 CD1 ILE A 654 2.372 -1.411 1.712 1.00 33.42 C ATOM 0 H ILE A 654 3.250 -5.302 2.662 1.00 21.21 H new ATOM 0 HA ILE A 654 0.816 -4.530 4.095 1.00 24.23 H new ATOM 0 HB ILE A 654 1.560 -4.024 1.188 1.00 41.33 H new ATOM 0 HG12 ILE A 654 2.062 -2.290 3.632 1.00 11.34 H new ATOM 0 HG13 ILE A 654 3.288 -3.086 2.665 1.00 11.34 H new ATOM 0 HG21 ILE A 654 -0.083 -2.200 1.382 1.00 43.21 H new ATOM 0 HG22 ILE A 654 -0.818 -3.786 1.718 1.00 43.21 H new ATOM 0 HG23 ILE A 654 -0.421 -2.688 3.060 1.00 43.21 H new ATOM 0 HD11 ILE A 654 3.121 -0.714 2.088 1.00 33.42 H new ATOM 0 HD12 ILE A 654 2.644 -1.728 0.705 1.00 33.42 H new ATOM 0 HD13 ILE A 654 1.400 -0.919 1.687 1.00 33.42 H new ATOM 891 N ASP A 655 -0.526 -6.477 3.335 1.00 15.31 N ATOM 892 CA ASP A 655 -1.399 -7.554 2.882 1.00 63.21 C ATOM 893 C ASP A 655 -2.857 -7.109 2.883 1.00 33.44 C ATOM 894 O ASP A 655 -3.505 -7.072 3.930 1.00 3.10 O ATOM 895 CB ASP A 655 -1.227 -8.786 3.772 1.00 61.13 C ATOM 896 CG ASP A 655 -0.041 -8.664 4.709 1.00 62.14 C ATOM 897 OD1 ASP A 655 -0.168 -7.967 5.737 1.00 11.12 O ATOM 898 OD2 ASP A 655 1.014 -9.264 4.413 1.00 12.41 O ATOM 0 H ASP A 655 -0.712 -6.155 4.285 1.00 15.31 H new ATOM 0 HA ASP A 655 -1.118 -7.811 1.861 1.00 63.21 H new ATOM 0 HB2 ASP A 655 -2.134 -8.937 4.357 1.00 61.13 H new ATOM 0 HB3 ASP A 655 -1.101 -9.669 3.145 1.00 61.13 H new ATOM 903 N PHE A 656 -3.370 -6.773 1.705 1.00 51.43 N ATOM 904 CA PHE A 656 -4.752 -6.328 1.570 1.00 62.23 C ATOM 905 C PHE A 656 -5.720 -7.421 2.015 1.00 23.02 C ATOM 906 O PHE A 656 -6.890 -7.154 2.286 1.00 2.14 O ATOM 907 CB PHE A 656 -5.044 -5.932 0.121 1.00 61.45 C ATOM 908 CG PHE A 656 -4.085 -4.915 -0.427 1.00 43.44 C ATOM 909 CD1 PHE A 656 -3.468 -4.002 0.413 1.00 62.31 C ATOM 910 CD2 PHE A 656 -3.802 -4.870 -1.783 1.00 3.11 C ATOM 911 CE1 PHE A 656 -2.584 -3.065 -0.088 1.00 15.33 C ATOM 912 CE2 PHE A 656 -2.920 -3.935 -2.289 1.00 42.44 C ATOM 913 CZ PHE A 656 -2.312 -3.030 -1.441 1.00 25.21 C ATOM 0 H PHE A 656 -2.849 -6.800 0.829 1.00 51.43 H new ATOM 0 HA PHE A 656 -4.892 -5.458 2.212 1.00 62.23 H new ATOM 0 HB2 PHE A 656 -5.012 -6.824 -0.505 1.00 61.45 H new ATOM 0 HB3 PHE A 656 -6.057 -5.535 0.058 1.00 61.45 H new ATOM 0 HD1 PHE A 656 -3.680 -4.023 1.472 1.00 62.31 H new ATOM 0 HD2 PHE A 656 -4.276 -5.574 -2.451 1.00 3.11 H new ATOM 0 HE1 PHE A 656 -2.107 -2.361 0.578 1.00 15.33 H new ATOM 0 HE2 PHE A 656 -2.706 -3.912 -3.347 1.00 42.44 H new ATOM 0 HZ PHE A 656 -1.625 -2.296 -1.836 1.00 25.21 H new ATOM 923 N GLU A 657 -5.222 -8.651 2.087 1.00 70.42 N ATOM 924 CA GLU A 657 -6.044 -9.784 2.498 1.00 23.13 C ATOM 925 C GLU A 657 -6.502 -9.627 3.945 1.00 60.13 C ATOM 926 O GLU A 657 -7.579 -10.090 4.321 1.00 32.33 O ATOM 927 CB GLU A 657 -5.265 -11.091 2.337 1.00 74.41 C ATOM 928 CG GLU A 657 -6.048 -12.322 2.765 1.00 1.21 C ATOM 929 CD GLU A 657 -7.267 -12.568 1.897 1.00 13.10 C ATOM 930 OE1 GLU A 657 -7.110 -13.148 0.803 1.00 11.40 O ATOM 931 OE2 GLU A 657 -8.380 -12.181 2.314 1.00 25.02 O ATOM 0 H GLU A 657 -4.255 -8.889 1.867 1.00 70.42 H new ATOM 0 HA GLU A 657 -6.925 -9.813 1.857 1.00 23.13 H new ATOM 0 HB2 GLU A 657 -4.970 -11.203 1.294 1.00 74.41 H new ATOM 0 HB3 GLU A 657 -4.348 -11.032 2.923 1.00 74.41 H new ATOM 0 HG2 GLU A 657 -5.396 -13.195 2.725 1.00 1.21 H new ATOM 0 HG3 GLU A 657 -6.362 -12.206 3.802 1.00 1.21 H new ATOM 938 N THR A 658 -5.676 -8.969 4.753 1.00 74.02 N ATOM 939 CA THR A 658 -5.994 -8.753 6.159 1.00 12.51 C ATOM 940 C THR A 658 -6.133 -7.266 6.468 1.00 43.30 C ATOM 941 O THR A 658 -6.819 -6.879 7.415 1.00 11.02 O ATOM 942 CB THR A 658 -4.918 -9.358 7.079 1.00 21.03 C ATOM 943 OG1 THR A 658 -5.344 -9.287 8.444 1.00 23.23 O ATOM 944 CG2 THR A 658 -3.593 -8.627 6.917 1.00 14.35 C ATOM 0 H THR A 658 -4.782 -8.577 4.458 1.00 74.02 H new ATOM 0 HA THR A 658 -6.944 -9.252 6.348 1.00 12.51 H new ATOM 0 HB THR A 658 -4.776 -10.401 6.797 1.00 21.03 H new ATOM 0 HG1 THR A 658 -4.655 -9.675 9.022 1.00 23.23 H new ATOM 0 HG21 THR A 658 -2.849 -9.072 7.577 1.00 14.35 H new ATOM 0 HG22 THR A 658 -3.257 -8.708 5.883 1.00 14.35 H new ATOM 0 HG23 THR A 658 -3.724 -7.576 7.174 1.00 14.35 H new ATOM 952 N LEU A 659 -5.478 -6.436 5.663 1.00 33.05 N ATOM 953 CA LEU A 659 -5.529 -4.990 5.851 1.00 42.24 C ATOM 954 C LEU A 659 -6.971 -4.492 5.854 1.00 3.42 C ATOM 955 O LEU A 659 -7.874 -5.168 5.362 1.00 32.33 O ATOM 956 CB LEU A 659 -4.737 -4.285 4.747 1.00 32.23 C ATOM 957 CG LEU A 659 -3.508 -3.497 5.203 1.00 62.21 C ATOM 958 CD1 LEU A 659 -2.255 -4.351 5.092 1.00 22.14 C ATOM 959 CD2 LEU A 659 -3.360 -2.221 4.386 1.00 22.23 C ATOM 0 H LEU A 659 -4.906 -6.739 4.875 1.00 33.05 H new ATOM 0 HA LEU A 659 -5.081 -4.758 6.817 1.00 42.24 H new ATOM 0 HB2 LEU A 659 -4.416 -5.034 4.023 1.00 32.23 H new ATOM 0 HB3 LEU A 659 -5.408 -3.603 4.225 1.00 32.23 H new ATOM 0 HG LEU A 659 -3.644 -3.222 6.249 1.00 62.21 H new ATOM 0 HD11 LEU A 659 -1.391 -3.774 5.421 1.00 22.14 H new ATOM 0 HD12 LEU A 659 -2.361 -5.235 5.720 1.00 22.14 H new ATOM 0 HD13 LEU A 659 -2.114 -4.657 4.055 1.00 22.14 H new ATOM 0 HD21 LEU A 659 -2.481 -1.673 4.724 1.00 22.23 H new ATOM 0 HD22 LEU A 659 -3.247 -2.475 3.332 1.00 22.23 H new ATOM 0 HD23 LEU A 659 -4.247 -1.601 4.516 1.00 22.23 H new ATOM 971 N LYS A 660 -7.179 -3.303 6.410 1.00 22.45 N ATOM 972 CA LYS A 660 -8.509 -2.710 6.477 1.00 73.41 C ATOM 973 C LYS A 660 -8.804 -1.895 5.222 1.00 1.41 C ATOM 974 O LYS A 660 -7.905 -1.521 4.470 1.00 63.53 O ATOM 975 CB LYS A 660 -8.635 -1.822 7.717 1.00 65.24 C ATOM 976 CG LYS A 660 -9.193 -2.546 8.929 1.00 33.02 C ATOM 977 CD LYS A 660 -8.648 -1.967 10.224 1.00 12.41 C ATOM 978 CE LYS A 660 -9.553 -0.872 10.770 1.00 71.51 C ATOM 979 NZ LYS A 660 -10.132 -1.239 12.092 1.00 64.12 N ATOM 0 H LYS A 660 -6.442 -2.731 6.821 1.00 22.45 H new ATOM 0 HA LYS A 660 -9.237 -3.519 6.544 1.00 73.41 H new ATOM 0 HB2 LYS A 660 -7.654 -1.418 7.966 1.00 65.24 H new ATOM 0 HB3 LYS A 660 -9.279 -0.974 7.483 1.00 65.24 H new ATOM 0 HG2 LYS A 660 -10.281 -2.476 8.927 1.00 33.02 H new ATOM 0 HG3 LYS A 660 -8.942 -3.605 8.869 1.00 33.02 H new ATOM 0 HD2 LYS A 660 -8.548 -2.760 10.965 1.00 12.41 H new ATOM 0 HD3 LYS A 660 -7.650 -1.564 10.052 1.00 12.41 H new ATOM 0 HE2 LYS A 660 -8.986 0.054 10.866 1.00 71.51 H new ATOM 0 HE3 LYS A 660 -10.359 -0.680 10.061 1.00 71.51 H new ATOM 0 HZ1 LYS A 660 -10.742 -0.468 12.430 1.00 64.12 H new ATOM 0 HZ2 LYS A 660 -10.695 -2.108 11.995 1.00 64.12 H new ATOM 0 HZ3 LYS A 660 -9.364 -1.398 12.775 1.00 64.12 H new ATOM 993 N PRO A 661 -10.095 -1.610 4.990 1.00 41.22 N ATOM 994 CA PRO A 661 -10.537 -0.834 3.827 1.00 12.14 C ATOM 995 C PRO A 661 -10.129 0.633 3.920 1.00 21.22 C ATOM 996 O PRO A 661 -9.934 1.298 2.903 1.00 13.02 O ATOM 997 CB PRO A 661 -12.062 -0.968 3.871 1.00 3.33 C ATOM 998 CG PRO A 661 -12.378 -1.231 5.303 1.00 52.10 C ATOM 999 CD PRO A 661 -11.220 -2.024 5.844 1.00 62.12 C ATOM 0 HA PRO A 661 -10.089 -1.196 2.901 1.00 12.14 H new ATOM 0 HB2 PRO A 661 -12.550 -0.059 3.518 1.00 3.33 H new ATOM 0 HB3 PRO A 661 -12.406 -1.782 3.234 1.00 3.33 H new ATOM 0 HG2 PRO A 661 -12.503 -0.298 5.853 1.00 52.10 H new ATOM 0 HG3 PRO A 661 -13.311 -1.786 5.401 1.00 52.10 H new ATOM 0 HD2 PRO A 661 -11.033 -1.797 6.893 1.00 62.12 H new ATOM 0 HD3 PRO A 661 -11.402 -3.097 5.778 1.00 62.12 H new ATOM 1007 N SER A 662 -10.001 1.129 5.147 1.00 44.35 N ATOM 1008 CA SER A 662 -9.618 2.519 5.371 1.00 11.13 C ATOM 1009 C SER A 662 -8.199 2.779 4.873 1.00 13.43 C ATOM 1010 O SER A 662 -7.969 3.676 4.061 1.00 3.11 O ATOM 1011 CB SER A 662 -9.720 2.863 6.859 1.00 3.20 C ATOM 1012 OG SER A 662 -10.807 3.737 7.107 1.00 50.43 O ATOM 0 H SER A 662 -10.156 0.591 5.999 1.00 44.35 H new ATOM 0 HA SER A 662 -10.303 3.155 4.810 1.00 11.13 H new ATOM 0 HB2 SER A 662 -9.845 1.949 7.439 1.00 3.20 H new ATOM 0 HB3 SER A 662 -8.792 3.328 7.192 1.00 3.20 H new ATOM 0 HG SER A 662 -10.852 3.940 8.065 1.00 50.43 H new ATOM 1018 N THR A 663 -7.251 1.988 5.365 1.00 35.14 N ATOM 1019 CA THR A 663 -5.855 2.133 4.972 1.00 72.51 C ATOM 1020 C THR A 663 -5.678 1.901 3.476 1.00 14.51 C ATOM 1021 O THR A 663 -4.970 2.650 2.800 1.00 33.35 O ATOM 1022 CB THR A 663 -4.950 1.152 5.742 1.00 11.20 C ATOM 1023 OG1 THR A 663 -5.181 1.275 7.151 1.00 54.44 O ATOM 1024 CG2 THR A 663 -3.484 1.418 5.439 1.00 22.15 C ATOM 0 H THR A 663 -7.425 1.240 6.037 1.00 35.14 H new ATOM 0 HA THR A 663 -5.563 3.154 5.216 1.00 72.51 H new ATOM 0 HB THR A 663 -5.193 0.139 5.421 1.00 11.20 H new ATOM 0 HG1 THR A 663 -4.867 0.466 7.606 1.00 54.44 H new ATOM 0 HG21 THR A 663 -2.864 0.714 5.994 1.00 22.15 H new ATOM 0 HG22 THR A 663 -3.305 1.296 4.371 1.00 22.15 H new ATOM 0 HG23 THR A 663 -3.230 2.436 5.735 1.00 22.15 H new ATOM 1032 N LEU A 664 -6.326 0.861 2.963 1.00 21.22 N ATOM 1033 CA LEU A 664 -6.240 0.531 1.544 1.00 15.05 C ATOM 1034 C LEU A 664 -6.545 1.752 0.682 1.00 21.23 C ATOM 1035 O LEU A 664 -5.704 2.196 -0.099 1.00 52.25 O ATOM 1036 CB LEU A 664 -7.211 -0.602 1.205 1.00 11.03 C ATOM 1037 CG LEU A 664 -6.586 -1.978 0.982 1.00 25.41 C ATOM 1038 CD1 LEU A 664 -5.553 -2.276 2.059 1.00 11.32 C ATOM 1039 CD2 LEU A 664 -7.659 -3.056 0.959 1.00 51.10 C ATOM 0 H LEU A 664 -6.916 0.232 3.507 1.00 21.22 H new ATOM 0 HA LEU A 664 -5.222 0.205 1.332 1.00 15.05 H new ATOM 0 HB2 LEU A 664 -7.939 -0.683 2.012 1.00 11.03 H new ATOM 0 HB3 LEU A 664 -7.761 -0.325 0.306 1.00 11.03 H new ATOM 0 HG LEU A 664 -6.083 -1.974 0.015 1.00 25.41 H new ATOM 0 HD11 LEU A 664 -5.118 -3.260 1.884 1.00 11.32 H new ATOM 0 HD12 LEU A 664 -4.767 -1.521 2.028 1.00 11.32 H new ATOM 0 HD13 LEU A 664 -6.033 -2.260 3.038 1.00 11.32 H new ATOM 0 HD21 LEU A 664 -7.194 -4.029 0.799 1.00 51.10 H new ATOM 0 HD22 LEU A 664 -8.191 -3.060 1.910 1.00 51.10 H new ATOM 0 HD23 LEU A 664 -8.362 -2.853 0.151 1.00 51.10 H new ATOM 1051 N ARG A 665 -7.750 2.290 0.831 1.00 0.14 N ATOM 1052 CA ARG A 665 -8.164 3.461 0.067 1.00 13.04 C ATOM 1053 C ARG A 665 -7.252 4.650 0.357 1.00 71.53 C ATOM 1054 O ARG A 665 -6.987 5.468 -0.524 1.00 11.34 O ATOM 1055 CB ARG A 665 -9.613 3.824 0.396 1.00 72.32 C ATOM 1056 CG ARG A 665 -10.132 5.024 -0.380 1.00 22.31 C ATOM 1057 CD ARG A 665 -10.457 4.658 -1.820 1.00 14.21 C ATOM 1058 NE ARG A 665 -11.752 5.188 -2.240 1.00 14.42 N ATOM 1059 CZ ARG A 665 -12.355 4.845 -3.373 1.00 23.45 C ATOM 1060 NH1 ARG A 665 -11.783 3.975 -4.194 1.00 12.42 N ATOM 1061 NH2 ARG A 665 -13.532 5.371 -3.686 1.00 34.05 N ATOM 0 H ARG A 665 -8.457 1.934 1.474 1.00 0.14 H new ATOM 0 HA ARG A 665 -8.089 3.218 -0.993 1.00 13.04 H new ATOM 0 HB2 ARG A 665 -10.250 2.964 0.188 1.00 72.32 H new ATOM 0 HB3 ARG A 665 -9.694 4.030 1.463 1.00 72.32 H new ATOM 0 HG2 ARG A 665 -11.025 5.415 0.107 1.00 22.31 H new ATOM 0 HG3 ARG A 665 -9.386 5.819 -0.365 1.00 22.31 H new ATOM 0 HD2 ARG A 665 -9.677 5.043 -2.477 1.00 14.21 H new ATOM 0 HD3 ARG A 665 -10.457 3.573 -1.927 1.00 14.21 H new ATOM 0 HE ARG A 665 -12.219 5.859 -1.630 1.00 14.42 H new ATOM 0 HH11 ARG A 665 -10.879 3.568 -3.956 1.00 12.42 H new ATOM 0 HH12 ARG A 665 -12.247 3.713 -5.063 1.00 12.42 H new ATOM 0 HH21 ARG A 665 -13.975 6.040 -3.056 1.00 34.05 H new ATOM 0 HH22 ARG A 665 -13.994 5.107 -4.556 1.00 34.05 H new ATOM 1075 N GLU A 666 -6.777 4.737 1.594 1.00 13.05 N ATOM 1076 CA GLU A 666 -5.897 5.827 1.999 1.00 30.50 C ATOM 1077 C GLU A 666 -4.735 5.979 1.021 1.00 52.34 C ATOM 1078 O GLU A 666 -4.320 7.094 0.702 1.00 73.24 O ATOM 1079 CB GLU A 666 -5.359 5.581 3.410 1.00 33.54 C ATOM 1080 CG GLU A 666 -5.767 6.649 4.412 1.00 41.33 C ATOM 1081 CD GLU A 666 -4.773 7.793 4.480 1.00 10.14 C ATOM 1082 OE1 GLU A 666 -4.412 8.329 3.412 1.00 72.10 O ATOM 1083 OE2 GLU A 666 -4.357 8.152 5.601 1.00 32.52 O ATOM 0 H GLU A 666 -6.986 4.066 2.334 1.00 13.05 H new ATOM 0 HA GLU A 666 -6.478 6.749 1.995 1.00 30.50 H new ATOM 0 HB2 GLU A 666 -5.713 4.612 3.761 1.00 33.54 H new ATOM 0 HB3 GLU A 666 -4.271 5.528 3.371 1.00 33.54 H new ATOM 0 HG2 GLU A 666 -6.748 7.040 4.142 1.00 41.33 H new ATOM 0 HG3 GLU A 666 -5.865 6.198 5.399 1.00 41.33 H new ATOM 1090 N LEU A 667 -4.215 4.851 0.549 1.00 53.31 N ATOM 1091 CA LEU A 667 -3.101 4.858 -0.393 1.00 11.15 C ATOM 1092 C LEU A 667 -3.570 5.260 -1.788 1.00 31.44 C ATOM 1093 O LEU A 667 -2.881 5.992 -2.496 1.00 51.44 O ATOM 1094 CB LEU A 667 -2.440 3.479 -0.441 1.00 55.04 C ATOM 1095 CG LEU A 667 -2.456 2.681 0.863 1.00 60.21 C ATOM 1096 CD1 LEU A 667 -1.667 1.391 0.708 1.00 71.51 C ATOM 1097 CD2 LEU A 667 -1.897 3.516 2.006 1.00 34.21 C ATOM 0 H LEU A 667 -4.547 3.921 0.803 1.00 53.31 H new ATOM 0 HA LEU A 667 -2.371 5.592 -0.050 1.00 11.15 H new ATOM 0 HB2 LEU A 667 -2.935 2.888 -1.211 1.00 55.04 H new ATOM 0 HB3 LEU A 667 -1.403 3.606 -0.753 1.00 55.04 H new ATOM 0 HG LEU A 667 -3.489 2.425 1.098 1.00 60.21 H new ATOM 0 HD11 LEU A 667 -1.689 0.836 1.646 1.00 71.51 H new ATOM 0 HD12 LEU A 667 -2.111 0.786 -0.082 1.00 71.51 H new ATOM 0 HD13 LEU A 667 -0.634 1.625 0.449 1.00 71.51 H new ATOM 0 HD21 LEU A 667 -1.916 2.932 2.926 1.00 34.21 H new ATOM 0 HD22 LEU A 667 -0.870 3.802 1.779 1.00 34.21 H new ATOM 0 HD23 LEU A 667 -2.504 4.412 2.132 1.00 34.21 H new ATOM 1109 N GLU A 668 -4.747 4.776 -2.173 1.00 41.25 N ATOM 1110 CA GLU A 668 -5.307 5.087 -3.483 1.00 33.53 C ATOM 1111 C GLU A 668 -5.707 6.556 -3.569 1.00 74.14 C ATOM 1112 O GLU A 668 -5.803 7.121 -4.659 1.00 10.51 O ATOM 1113 CB GLU A 668 -6.521 4.198 -3.766 1.00 42.32 C ATOM 1114 CG GLU A 668 -6.882 4.113 -5.240 1.00 13.31 C ATOM 1115 CD GLU A 668 -7.995 5.067 -5.624 1.00 14.44 C ATOM 1116 OE1 GLU A 668 -8.965 5.190 -4.845 1.00 54.44 O ATOM 1117 OE2 GLU A 668 -7.899 5.691 -6.701 1.00 2.24 O ATOM 0 H GLU A 668 -5.330 4.168 -1.598 1.00 41.25 H new ATOM 0 HA GLU A 668 -4.541 4.894 -4.233 1.00 33.53 H new ATOM 0 HB2 GLU A 668 -6.321 3.194 -3.391 1.00 42.32 H new ATOM 0 HB3 GLU A 668 -7.378 4.581 -3.212 1.00 42.32 H new ATOM 0 HG2 GLU A 668 -5.998 4.331 -5.840 1.00 13.31 H new ATOM 0 HG3 GLU A 668 -7.185 3.093 -5.478 1.00 13.31 H new ATOM 1124 N ARG A 669 -5.940 7.169 -2.413 1.00 64.01 N ATOM 1125 CA ARG A 669 -6.332 8.572 -2.356 1.00 42.44 C ATOM 1126 C ARG A 669 -5.121 9.482 -2.548 1.00 33.01 C ATOM 1127 O ARG A 669 -5.226 10.552 -3.147 1.00 41.30 O ATOM 1128 CB ARG A 669 -7.009 8.881 -1.021 1.00 11.54 C ATOM 1129 CG ARG A 669 -8.487 9.211 -1.150 1.00 33.24 C ATOM 1130 CD ARG A 669 -9.236 8.925 0.143 1.00 55.14 C ATOM 1131 NE ARG A 669 -10.611 8.496 -0.105 1.00 41.24 N ATOM 1132 CZ ARG A 669 -11.400 7.982 0.832 1.00 51.15 C ATOM 1133 NH1 ARG A 669 -10.954 7.834 2.072 1.00 63.13 N ATOM 1134 NH2 ARG A 669 -12.638 7.614 0.529 1.00 42.15 N ATOM 0 H ARG A 669 -5.864 6.715 -1.503 1.00 64.01 H new ATOM 0 HA ARG A 669 -7.038 8.759 -3.165 1.00 42.44 H new ATOM 0 HB2 ARG A 669 -6.893 8.024 -0.358 1.00 11.54 H new ATOM 0 HB3 ARG A 669 -6.498 9.720 -0.550 1.00 11.54 H new ATOM 0 HG2 ARG A 669 -8.605 10.262 -1.415 1.00 33.24 H new ATOM 0 HG3 ARG A 669 -8.922 8.627 -1.961 1.00 33.24 H new ATOM 0 HD2 ARG A 669 -8.710 8.152 0.703 1.00 55.14 H new ATOM 0 HD3 ARG A 669 -9.242 9.821 0.764 1.00 55.14 H new ATOM 0 HE ARG A 669 -10.985 8.597 -1.049 1.00 41.24 H new ATOM 0 HH11 ARG A 669 -10.003 8.115 2.309 1.00 63.13 H new ATOM 0 HH12 ARG A 669 -11.562 7.439 2.789 1.00 63.13 H new ATOM 0 HH21 ARG A 669 -12.984 7.726 -0.424 1.00 42.15 H new ATOM 0 HH22 ARG A 669 -13.243 7.219 1.249 1.00 42.15 H new ATOM 1148 N TYR A 670 -3.976 9.049 -2.036 1.00 10.33 N ATOM 1149 CA TYR A 670 -2.747 9.826 -2.147 1.00 61.13 C ATOM 1150 C TYR A 670 -2.153 9.708 -3.548 1.00 0.32 C ATOM 1151 O TYR A 670 -1.602 10.670 -4.084 1.00 32.43 O ATOM 1152 CB TYR A 670 -1.727 9.358 -1.107 1.00 45.34 C ATOM 1153 CG TYR A 670 -1.801 10.117 0.198 1.00 43.35 C ATOM 1154 CD1 TYR A 670 -2.970 10.134 0.948 1.00 30.43 C ATOM 1155 CD2 TYR A 670 -0.703 10.817 0.681 1.00 42.43 C ATOM 1156 CE1 TYR A 670 -3.042 10.826 2.142 1.00 75.43 C ATOM 1157 CE2 TYR A 670 -0.766 11.511 1.873 1.00 42.50 C ATOM 1158 CZ TYR A 670 -1.937 11.513 2.600 1.00 74.01 C ATOM 1159 OH TYR A 670 -2.005 12.204 3.788 1.00 13.40 O ATOM 0 H TYR A 670 -3.872 8.164 -1.540 1.00 10.33 H new ATOM 0 HA TYR A 670 -2.990 10.872 -1.962 1.00 61.13 H new ATOM 0 HB2 TYR A 670 -1.882 8.297 -0.910 1.00 45.34 H new ATOM 0 HB3 TYR A 670 -0.724 9.462 -1.522 1.00 45.34 H new ATOM 0 HD1 TYR A 670 -3.837 9.597 0.592 1.00 30.43 H new ATOM 0 HD2 TYR A 670 0.216 10.819 0.114 1.00 42.43 H new ATOM 0 HE1 TYR A 670 -3.958 10.829 2.713 1.00 75.43 H new ATOM 0 HE2 TYR A 670 0.098 12.049 2.234 1.00 42.50 H new ATOM 0 HH TYR A 670 -1.142 12.632 3.967 1.00 13.40 H new ATOM 1169 N VAL A 671 -2.271 8.522 -4.136 1.00 34.23 N ATOM 1170 CA VAL A 671 -1.749 8.277 -5.475 1.00 3.24 C ATOM 1171 C VAL A 671 -2.580 8.998 -6.529 1.00 53.02 C ATOM 1172 O VAL A 671 -2.058 9.435 -7.556 1.00 73.40 O ATOM 1173 CB VAL A 671 -1.721 6.772 -5.799 1.00 31.10 C ATOM 1174 CG1 VAL A 671 -3.133 6.241 -5.990 1.00 74.23 C ATOM 1175 CG2 VAL A 671 -0.872 6.509 -7.033 1.00 60.25 C ATOM 0 H VAL A 671 -2.724 7.715 -3.706 1.00 34.23 H new ATOM 0 HA VAL A 671 -0.730 8.664 -5.494 1.00 3.24 H new ATOM 0 HB VAL A 671 -1.271 6.245 -4.958 1.00 31.10 H new ATOM 0 HG11 VAL A 671 -3.093 5.176 -6.218 1.00 74.23 H new ATOM 0 HG12 VAL A 671 -3.706 6.395 -5.076 1.00 74.23 H new ATOM 0 HG13 VAL A 671 -3.613 6.771 -6.813 1.00 74.23 H new ATOM 0 HG21 VAL A 671 -0.863 5.440 -7.248 1.00 60.25 H new ATOM 0 HG22 VAL A 671 -1.290 7.047 -7.884 1.00 60.25 H new ATOM 0 HG23 VAL A 671 0.147 6.851 -6.853 1.00 60.25 H new ATOM 1185 N THR A 672 -3.878 9.122 -6.270 1.00 23.25 N ATOM 1186 CA THR A 672 -4.783 9.789 -7.196 1.00 41.43 C ATOM 1187 C THR A 672 -4.570 11.299 -7.181 1.00 10.00 C ATOM 1188 O THR A 672 -4.746 11.971 -8.197 1.00 22.03 O ATOM 1189 CB THR A 672 -6.255 9.487 -6.861 1.00 21.30 C ATOM 1190 OG1 THR A 672 -6.503 8.080 -6.970 1.00 52.22 O ATOM 1191 CG2 THR A 672 -7.190 10.245 -7.790 1.00 41.34 C ATOM 0 H THR A 672 -4.326 8.768 -5.425 1.00 23.25 H new ATOM 0 HA THR A 672 -4.558 9.402 -8.190 1.00 41.43 H new ATOM 0 HB THR A 672 -6.445 9.812 -5.838 1.00 21.30 H new ATOM 0 HG1 THR A 672 -6.245 7.637 -6.135 1.00 52.22 H new ATOM 0 HG21 THR A 672 -8.224 10.015 -7.533 1.00 41.34 H new ATOM 0 HG22 THR A 672 -7.019 11.316 -7.683 1.00 41.34 H new ATOM 0 HG23 THR A 672 -6.998 9.948 -8.821 1.00 41.34 H new ATOM 1199 N SER A 673 -4.191 11.826 -6.021 1.00 50.55 N ATOM 1200 CA SER A 673 -3.957 13.258 -5.873 1.00 22.25 C ATOM 1201 C SER A 673 -2.626 13.659 -6.501 1.00 25.11 C ATOM 1202 O SER A 673 -2.492 14.750 -7.055 1.00 55.44 O ATOM 1203 CB SER A 673 -3.974 13.648 -4.393 1.00 71.12 C ATOM 1204 OG SER A 673 -4.123 15.048 -4.237 1.00 11.33 O ATOM 0 H SER A 673 -4.040 11.283 -5.171 1.00 50.55 H new ATOM 0 HA SER A 673 -4.757 13.788 -6.391 1.00 22.25 H new ATOM 0 HB2 SER A 673 -4.791 13.133 -3.887 1.00 71.12 H new ATOM 0 HB3 SER A 673 -3.049 13.322 -3.917 1.00 71.12 H new ATOM 0 HG SER A 673 -4.133 15.272 -3.283 1.00 11.33 H new ATOM 1210 N CYS A 674 -1.644 12.770 -6.409 1.00 63.52 N ATOM 1211 CA CYS A 674 -0.322 13.029 -6.968 1.00 31.22 C ATOM 1212 C CYS A 674 -0.315 12.805 -8.476 1.00 40.54 C ATOM 1213 O CYS A 674 0.131 13.662 -9.240 1.00 43.25 O ATOM 1214 CB CYS A 674 0.722 12.131 -6.302 1.00 11.11 C ATOM 1215 SG CYS A 674 2.365 12.231 -7.047 1.00 43.31 S ATOM 0 H CYS A 674 -1.738 11.863 -5.952 1.00 63.52 H new ATOM 0 HA CYS A 674 -0.071 14.072 -6.773 1.00 31.22 H new ATOM 0 HB2 CYS A 674 0.796 12.398 -5.248 1.00 11.11 H new ATOM 0 HB3 CYS A 674 0.378 11.098 -6.345 1.00 11.11 H new ATOM 0 HG CYS A 674 2.628 11.120 -7.668 1.00 43.31 H new ATOM 1221 N LEU A 675 -0.810 11.647 -8.900 1.00 35.12 N ATOM 1222 CA LEU A 675 -0.860 11.308 -10.318 1.00 1.43 C ATOM 1223 C LEU A 675 -1.974 12.077 -11.022 1.00 5.21 C ATOM 1224 O LEU A 675 -1.890 12.353 -12.219 1.00 62.04 O ATOM 1225 CB LEU A 675 -1.071 9.804 -10.496 1.00 11.33 C ATOM 1226 CG LEU A 675 -0.141 9.108 -11.490 1.00 50.40 C ATOM 1227 CD1 LEU A 675 -0.390 9.619 -12.901 1.00 55.32 C ATOM 1228 CD2 LEU A 675 1.313 9.317 -11.095 1.00 43.03 C ATOM 0 H LEU A 675 -1.183 10.927 -8.281 1.00 35.12 H new ATOM 0 HA LEU A 675 0.092 11.590 -10.768 1.00 1.43 H new ATOM 0 HB2 LEU A 675 -0.956 9.324 -9.524 1.00 11.33 H new ATOM 0 HB3 LEU A 675 -2.100 9.637 -10.814 1.00 11.33 H new ATOM 0 HG LEU A 675 -0.353 8.039 -11.470 1.00 50.40 H new ATOM 0 HD11 LEU A 675 0.281 9.113 -13.595 1.00 55.32 H new ATOM 0 HD12 LEU A 675 -1.423 9.418 -13.184 1.00 55.32 H new ATOM 0 HD13 LEU A 675 -0.206 10.693 -12.937 1.00 55.32 H new ATOM 0 HD21 LEU A 675 1.961 8.815 -11.813 1.00 43.03 H new ATOM 0 HD22 LEU A 675 1.538 10.383 -11.087 1.00 43.03 H new ATOM 0 HD23 LEU A 675 1.483 8.903 -10.101 1.00 43.03 H new ATOM 1240 N ARG A 676 -3.014 12.423 -10.270 1.00 43.33 N ATOM 1241 CA ARG A 676 -4.143 13.161 -10.823 1.00 60.33 C ATOM 1242 C ARG A 676 -4.860 12.338 -11.890 1.00 52.33 C ATOM 1243 O ARG A 676 -5.057 12.798 -13.015 1.00 13.04 O ATOM 1244 CB ARG A 676 -3.670 14.488 -11.419 1.00 0.00 C ATOM 1245 CG ARG A 676 -2.737 15.267 -10.507 1.00 42.11 C ATOM 1246 CD ARG A 676 -2.809 16.761 -10.780 1.00 53.32 C ATOM 1247 NE ARG A 676 -1.801 17.505 -10.028 1.00 73.44 N ATOM 1248 CZ ARG A 676 -0.518 17.553 -10.369 1.00 71.33 C ATOM 1249 NH1 ARG A 676 -0.089 16.906 -11.444 1.00 31.33 N ATOM 1250 NH2 ARG A 676 0.338 18.252 -9.634 1.00 32.10 N ATOM 0 H ARG A 676 -3.098 12.204 -9.277 1.00 43.33 H new ATOM 0 HA ARG A 676 -4.844 13.364 -10.013 1.00 60.33 H new ATOM 0 HB2 ARG A 676 -3.161 14.292 -12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 676 -4.539 15.104 -11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 676 -2.998 15.073 -9.467 1.00 42.11 H new ATOM 0 HG3 ARG A 676 -1.714 14.919 -10.649 1.00 42.11 H new ATOM 0 HD2 ARG A 676 -2.672 16.942 -11.846 1.00 53.32 H new ATOM 0 HD3 ARG A 676 -3.801 17.130 -10.519 1.00 53.32 H new ATOM 0 HE ARG A 676 -2.099 18.015 -9.196 1.00 73.44 H new ATOM 0 HH11 ARG A 676 -0.745 16.369 -12.012 1.00 31.33 H new ATOM 0 HH12 ARG A 676 0.897 16.945 -11.703 1.00 31.33 H new ATOM 0 HH21 ARG A 676 0.011 18.752 -8.808 1.00 32.10 H new ATOM 0 HH22 ARG A 676 1.323 18.289 -9.896 1.00 32.10 H new ATOM 1264 N LYS A 677 -5.248 11.121 -11.529 1.00 73.52 N ATOM 1265 CA LYS A 677 -5.944 10.233 -12.453 1.00 72.21 C ATOM 1266 C LYS A 677 -6.806 9.227 -11.697 1.00 51.30 C ATOM 1267 O LYS A 677 -6.357 8.611 -10.731 1.00 64.04 O ATOM 1268 CB LYS A 677 -4.938 9.494 -13.338 1.00 51.34 C ATOM 1269 CG LYS A 677 -5.497 9.095 -14.694 1.00 11.22 C ATOM 1270 CD LYS A 677 -5.157 10.122 -15.761 1.00 60.05 C ATOM 1271 CE LYS A 677 -6.413 10.721 -16.378 1.00 4.11 C ATOM 1272 NZ LYS A 677 -6.093 11.629 -17.514 1.00 64.34 N ATOM 0 H LYS A 677 -5.092 10.726 -10.602 1.00 73.52 H new ATOM 0 HA LYS A 677 -6.594 10.842 -13.082 1.00 72.21 H new ATOM 0 HB2 LYS A 677 -4.064 10.128 -13.487 1.00 51.34 H new ATOM 0 HB3 LYS A 677 -4.598 8.599 -12.817 1.00 51.34 H new ATOM 0 HG2 LYS A 677 -5.096 8.123 -14.982 1.00 11.22 H new ATOM 0 HG3 LYS A 677 -6.579 8.986 -14.625 1.00 11.22 H new ATOM 0 HD2 LYS A 677 -4.551 10.916 -15.324 1.00 60.05 H new ATOM 0 HD3 LYS A 677 -4.555 9.654 -16.540 1.00 60.05 H new ATOM 0 HE2 LYS A 677 -7.065 9.919 -16.726 1.00 4.11 H new ATOM 0 HE3 LYS A 677 -6.965 11.272 -15.616 1.00 4.11 H new ATOM 0 HZ1 LYS A 677 -6.974 12.017 -17.907 1.00 64.34 H new ATOM 0 HZ2 LYS A 677 -5.492 12.408 -17.177 1.00 64.34 H new ATOM 0 HZ3 LYS A 677 -5.589 11.097 -18.252 1.00 64.34 H new ATOM 1286 N LYS A 678 -8.047 9.064 -12.144 1.00 10.43 N ATOM 1287 CA LYS A 678 -8.972 8.132 -11.512 1.00 61.33 C ATOM 1288 C LYS A 678 -8.739 6.711 -12.014 1.00 64.43 C ATOM 1289 O LYS A 678 -8.313 6.537 -13.155 1.00 12.24 O ATOM 1290 CB LYS A 678 -10.418 8.550 -11.787 1.00 61.10 C ATOM 1291 CG LYS A 678 -11.356 8.304 -10.618 1.00 64.20 C ATOM 1292 CD LYS A 678 -12.749 7.922 -11.091 1.00 62.40 C ATOM 1293 CE LYS A 678 -13.708 9.099 -11.006 1.00 73.41 C ATOM 1294 NZ LYS A 678 -13.375 10.158 -11.997 1.00 45.41 N ATOM 0 H LYS A 678 -8.435 9.566 -12.943 1.00 10.43 H new ATOM 0 HA LYS A 678 -8.792 8.154 -10.437 1.00 61.33 H new ATOM 0 HB2 LYS A 678 -10.439 9.610 -12.042 1.00 61.10 H new ATOM 0 HB3 LYS A 678 -10.785 8.006 -12.657 1.00 61.10 H new ATOM 0 HG2 LYS A 678 -10.954 7.510 -9.989 1.00 64.20 H new ATOM 0 HG3 LYS A 678 -11.413 9.201 -10.001 1.00 64.20 H new ATOM 0 HD2 LYS A 678 -12.700 7.565 -12.120 1.00 62.40 H new ATOM 0 HD3 LYS A 678 -13.127 7.099 -10.485 1.00 62.40 H new ATOM 0 HE2 LYS A 678 -14.727 8.750 -11.176 1.00 73.41 H new ATOM 0 HE3 LYS A 678 -13.678 9.520 -10.001 1.00 73.41 H new ATOM 0 HZ1 LYS A 678 -14.052 10.943 -11.907 1.00 45.41 H new ATOM 0 HZ2 LYS A 678 -12.412 10.509 -11.820 1.00 45.41 H new ATOM 0 HZ3 LYS A 678 -13.428 9.763 -12.958 1.00 45.41 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.484 3.998 -4.134 1.00 11.32 N ATOM 1310 CA THR B 389 15.135 4.393 -3.747 1.00 54.34 C ATOM 1311 C THR B 389 14.360 3.212 -3.174 1.00 53.32 C ATOM 1312 O THR B 389 14.901 2.116 -3.024 1.00 64.03 O ATOM 1313 CB THR B 389 14.355 4.973 -4.942 1.00 35.30 C ATOM 1314 OG1 THR B 389 15.125 4.839 -6.142 1.00 23.10 O ATOM 1315 CG2 THR B 389 14.019 6.439 -4.710 1.00 31.45 C ATOM 0 HA THR B 389 15.238 5.162 -2.982 1.00 54.34 H new ATOM 0 HB THR B 389 13.424 4.415 -5.044 1.00 35.30 H new ATOM 0 HG1 THR B 389 15.931 4.314 -5.956 1.00 23.10 H new ATOM 0 HG21 THR B 389 13.468 6.826 -5.567 1.00 31.45 H new ATOM 0 HG22 THR B 389 13.408 6.535 -3.813 1.00 31.45 H new ATOM 0 HG23 THR B 389 14.940 7.008 -4.584 1.00 31.45 H new ATOM 1323 N TRP B 390 13.092 3.441 -2.856 1.00 74.11 N ATOM 1324 CA TRP B 390 12.241 2.394 -2.299 1.00 51.55 C ATOM 1325 C TRP B 390 11.855 1.381 -3.370 1.00 64.10 C ATOM 1326 O TRP B 390 11.856 1.691 -4.562 1.00 22.13 O ATOM 1327 CB TRP B 390 10.983 3.005 -1.681 1.00 40.40 C ATOM 1328 CG TRP B 390 11.123 3.297 -0.217 1.00 71.25 C ATOM 1329 CD1 TRP B 390 11.805 4.335 0.351 1.00 72.13 C ATOM 1330 CD2 TRP B 390 10.567 2.540 0.865 1.00 60.15 C ATOM 1331 NE1 TRP B 390 11.707 4.269 1.720 1.00 62.25 N ATOM 1332 CE2 TRP B 390 10.953 3.178 2.060 1.00 60.52 C ATOM 1333 CE3 TRP B 390 9.781 1.387 0.939 1.00 53.32 C ATOM 1334 CZ2 TRP B 390 10.579 2.698 3.312 1.00 35.51 C ATOM 1335 CZ3 TRP B 390 9.411 0.913 2.182 1.00 70.11 C ATOM 1336 CH2 TRP B 390 9.809 1.567 3.355 1.00 11.43 C ATOM 0 H TRP B 390 12.629 4.342 -2.974 1.00 74.11 H new ATOM 0 HA TRP B 390 12.804 1.877 -1.522 1.00 51.55 H new ATOM 0 HB2 TRP B 390 10.740 3.928 -2.207 1.00 40.40 H new ATOM 0 HB3 TRP B 390 10.146 2.323 -1.830 1.00 40.40 H new ATOM 0 HD1 TRP B 390 12.342 5.096 -0.196 1.00 72.13 H new ATOM 0 HE1 TRP B 390 12.128 4.926 2.377 1.00 62.25 H new ATOM 0 HE3 TRP B 390 9.469 0.876 0.040 1.00 53.32 H new ATOM 0 HZ2 TRP B 390 10.886 3.200 4.218 1.00 35.51 H new ATOM 0 HZ3 TRP B 390 8.804 0.022 2.251 1.00 70.11 H new ATOM 0 HH2 TRP B 390 9.502 1.171 4.312 1.00 11.43 H new ATOM 1347 N ARG B 391 11.525 0.168 -2.938 1.00 73.35 N ATOM 1348 CA ARG B 391 11.137 -0.893 -3.862 1.00 5.23 C ATOM 1349 C ARG B 391 9.893 -1.620 -3.362 1.00 52.15 C ATOM 1350 O ARG B 391 9.475 -1.443 -2.217 1.00 72.43 O ATOM 1351 CB ARG B 391 12.285 -1.887 -4.041 1.00 22.12 C ATOM 1352 CG ARG B 391 12.640 -2.643 -2.771 1.00 25.14 C ATOM 1353 CD ARG B 391 13.941 -3.415 -2.926 1.00 1.41 C ATOM 1354 NE ARG B 391 13.892 -4.350 -4.047 1.00 12.15 N ATOM 1355 CZ ARG B 391 14.913 -5.119 -4.407 1.00 2.11 C ATOM 1356 NH1 ARG B 391 16.056 -5.065 -3.737 1.00 62.24 N ATOM 1357 NH2 ARG B 391 14.791 -5.944 -5.439 1.00 45.00 N ATOM 0 H ARG B 391 11.518 -0.105 -1.955 1.00 73.35 H new ATOM 0 HA ARG B 391 10.908 -0.437 -4.825 1.00 5.23 H new ATOM 0 HB2 ARG B 391 12.016 -2.604 -4.817 1.00 22.12 H new ATOM 0 HB3 ARG B 391 13.167 -1.351 -4.393 1.00 22.12 H new ATOM 0 HG2 ARG B 391 12.729 -1.941 -1.942 1.00 25.14 H new ATOM 0 HG3 ARG B 391 11.834 -3.333 -2.520 1.00 25.14 H new ATOM 0 HD2 ARG B 391 14.763 -2.714 -3.074 1.00 1.41 H new ATOM 0 HD3 ARG B 391 14.150 -3.962 -2.007 1.00 1.41 H new ATOM 0 HE ARG B 391 13.026 -4.416 -4.583 1.00 12.15 H new ATOM 0 HH11 ARG B 391 16.152 -4.432 -2.943 1.00 62.24 H new ATOM 0 HH12 ARG B 391 16.839 -5.657 -4.015 1.00 62.24 H new ATOM 0 HH21 ARG B 391 13.913 -5.988 -5.956 1.00 45.00 H new ATOM 0 HH22 ARG B 391 15.575 -6.535 -5.715 1.00 45.00 H new ATOM 1371 N VAL B 392 9.304 -2.439 -4.229 1.00 31.24 N ATOM 1372 CA VAL B 392 8.108 -3.194 -3.875 1.00 51.11 C ATOM 1373 C VAL B 392 8.035 -4.503 -4.654 1.00 42.41 C ATOM 1374 O VAL B 392 8.468 -4.577 -5.803 1.00 4.02 O ATOM 1375 CB VAL B 392 6.830 -2.378 -4.144 1.00 12.22 C ATOM 1376 CG1 VAL B 392 5.593 -3.203 -3.826 1.00 54.02 C ATOM 1377 CG2 VAL B 392 6.843 -1.089 -3.336 1.00 54.42 C ATOM 0 H VAL B 392 9.636 -2.596 -5.181 1.00 31.24 H new ATOM 0 HA VAL B 392 8.174 -3.411 -2.809 1.00 51.11 H new ATOM 0 HB VAL B 392 6.801 -2.118 -5.202 1.00 12.22 H new ATOM 0 HG11 VAL B 392 4.700 -2.610 -4.022 1.00 54.02 H new ATOM 0 HG12 VAL B 392 5.580 -4.096 -4.451 1.00 54.02 H new ATOM 0 HG13 VAL B 392 5.611 -3.496 -2.776 1.00 54.02 H new ATOM 0 HG21 VAL B 392 5.933 -0.524 -3.538 1.00 54.42 H new ATOM 0 HG22 VAL B 392 6.895 -1.326 -2.273 1.00 54.42 H new ATOM 0 HG23 VAL B 392 7.710 -0.492 -3.617 1.00 54.42 H new ATOM 1387 N GLN B 393 7.483 -5.532 -4.019 1.00 14.42 N ATOM 1388 CA GLN B 393 7.353 -6.838 -4.653 1.00 31.40 C ATOM 1389 C GLN B 393 6.278 -7.673 -3.964 1.00 72.12 C ATOM 1390 O GLN B 393 6.382 -7.980 -2.777 1.00 15.01 O ATOM 1391 CB GLN B 393 8.690 -7.581 -4.619 1.00 1.01 C ATOM 1392 CG GLN B 393 9.343 -7.595 -3.246 1.00 1.50 C ATOM 1393 CD GLN B 393 10.484 -6.602 -3.132 1.00 52.01 C ATOM 1394 OE1 GLN B 393 11.244 -6.401 -4.079 1.00 10.22 O ATOM 1395 NE2 GLN B 393 10.607 -5.975 -1.968 1.00 44.41 N ATOM 0 H GLN B 393 7.119 -5.486 -3.067 1.00 14.42 H new ATOM 0 HA GLN B 393 7.058 -6.682 -5.691 1.00 31.40 H new ATOM 0 HB2 GLN B 393 8.534 -8.608 -4.949 1.00 1.01 H new ATOM 0 HB3 GLN B 393 9.372 -7.118 -5.332 1.00 1.01 H new ATOM 0 HG2 GLN B 393 8.592 -7.369 -2.489 1.00 1.50 H new ATOM 0 HG3 GLN B 393 9.716 -8.597 -3.036 1.00 1.50 H new ATOM 0 HE21 GLN B 393 9.954 -6.173 -1.210 1.00 44.41 H new ATOM 0 HE22 GLN B 393 11.355 -5.295 -1.832 1.00 44.41 H new ATOM 1404 N ARG B 394 5.245 -8.037 -4.719 1.00 0.42 N ATOM 1405 CA ARG B 394 4.150 -8.833 -4.181 1.00 31.43 C ATOM 1406 C ARG B 394 4.255 -10.284 -4.642 1.00 23.31 C ATOM 1407 O ARG B 394 4.770 -10.566 -5.723 1.00 62.21 O ATOM 1408 CB ARG B 394 2.804 -8.247 -4.612 1.00 21.15 C ATOM 1409 CG ARG B 394 2.632 -8.161 -6.119 1.00 44.41 C ATOM 1410 CD ARG B 394 2.471 -6.720 -6.580 1.00 42.13 C ATOM 1411 NE ARG B 394 2.181 -6.631 -8.008 1.00 62.03 N ATOM 1412 CZ ARG B 394 3.105 -6.754 -8.955 1.00 20.13 C ATOM 1413 NH1 ARG B 394 4.372 -6.970 -8.626 1.00 31.21 N ATOM 1414 NH2 ARG B 394 2.763 -6.661 -10.233 1.00 63.35 N ATOM 0 H ARG B 394 5.145 -7.793 -5.704 1.00 0.42 H new ATOM 0 HA ARG B 394 4.218 -8.809 -3.093 1.00 31.43 H new ATOM 0 HB2 ARG B 394 2.002 -8.858 -4.198 1.00 21.15 H new ATOM 0 HB3 ARG B 394 2.698 -7.250 -4.185 1.00 21.15 H new ATOM 0 HG2 ARG B 394 3.496 -8.607 -6.611 1.00 44.41 H new ATOM 0 HG3 ARG B 394 1.759 -8.740 -6.420 1.00 44.41 H new ATOM 0 HD2 ARG B 394 1.667 -6.247 -6.017 1.00 42.13 H new ATOM 0 HD3 ARG B 394 3.383 -6.165 -6.360 1.00 42.13 H new ATOM 0 HE ARG B 394 1.216 -6.465 -8.295 1.00 62.03 H new ATOM 0 HH11 ARG B 394 4.639 -7.042 -7.644 1.00 31.21 H new ATOM 0 HH12 ARG B 394 5.079 -7.064 -9.355 1.00 31.21 H new ATOM 0 HH21 ARG B 394 1.790 -6.495 -10.490 1.00 63.35 H new ATOM 0 HH22 ARG B 394 3.473 -6.756 -10.959 1.00 63.35 H new ATOM 1428 N SER B 395 3.765 -11.200 -3.813 1.00 34.32 N ATOM 1429 CA SER B 395 3.807 -12.623 -4.134 1.00 0.33 C ATOM 1430 C SER B 395 3.012 -13.433 -3.115 1.00 65.20 C ATOM 1431 O SER B 395 2.669 -12.935 -2.043 1.00 71.14 O ATOM 1432 CB SER B 395 5.256 -13.114 -4.176 1.00 41.32 C ATOM 1433 OG SER B 395 5.861 -12.811 -5.420 1.00 43.15 O ATOM 0 H SER B 395 3.334 -10.983 -2.914 1.00 34.32 H new ATOM 0 HA SER B 395 3.354 -12.764 -5.116 1.00 0.33 H new ATOM 0 HB2 SER B 395 5.824 -12.650 -3.369 1.00 41.32 H new ATOM 0 HB3 SER B 395 5.284 -14.191 -4.007 1.00 41.32 H new ATOM 0 HG SER B 395 5.321 -12.144 -5.893 1.00 43.15 H new ATOM 1439 N GLN B 396 2.726 -14.684 -3.457 1.00 63.34 N ATOM 1440 CA GLN B 396 1.972 -15.566 -2.574 1.00 12.52 C ATOM 1441 C GLN B 396 0.540 -15.066 -2.401 1.00 24.22 C ATOM 1442 O GLN B 396 -0.391 -15.605 -2.998 1.00 43.33 O ATOM 1443 CB GLN B 396 2.658 -15.663 -1.210 1.00 64.20 C ATOM 1444 CG GLN B 396 3.313 -17.011 -0.955 1.00 65.00 C ATOM 1445 CD GLN B 396 4.800 -17.003 -1.254 1.00 62.31 C ATOM 1446 OE1 GLN B 396 5.232 -16.516 -2.299 1.00 40.02 O ATOM 1447 NE2 GLN B 396 5.592 -17.544 -0.335 1.00 12.40 N ATOM 0 H GLN B 396 3.005 -15.111 -4.340 1.00 63.34 H new ATOM 0 HA GLN B 396 1.941 -16.556 -3.029 1.00 12.52 H new ATOM 0 HB2 GLN B 396 3.414 -14.881 -1.136 1.00 64.20 H new ATOM 0 HB3 GLN B 396 1.923 -15.471 -0.428 1.00 64.20 H new ATOM 0 HG2 GLN B 396 3.157 -17.296 0.086 1.00 65.00 H new ATOM 0 HG3 GLN B 396 2.827 -17.769 -1.569 1.00 65.00 H new ATOM 0 HE21 GLN B 396 5.191 -17.936 0.517 1.00 12.40 H new ATOM 0 HE22 GLN B 396 6.601 -17.567 -0.481 1.00 12.40 H new ATOM 1456 N ASN B 397 0.374 -14.035 -1.580 1.00 21.24 N ATOM 1457 CA ASN B 397 -0.945 -13.465 -1.327 1.00 41.02 C ATOM 1458 C ASN B 397 -1.596 -13.006 -2.628 1.00 13.12 C ATOM 1459 O ASN B 397 -0.941 -12.849 -3.658 1.00 31.04 O ATOM 1460 CB ASN B 397 -0.837 -12.288 -0.355 1.00 43.12 C ATOM 1461 CG ASN B 397 -1.411 -12.611 1.011 1.00 63.51 C ATOM 1462 OD1 ASN B 397 -2.350 -11.961 1.471 1.00 34.41 O ATOM 1463 ND2 ASN B 397 -0.847 -13.619 1.665 1.00 32.15 N ATOM 0 H ASN B 397 1.135 -13.577 -1.079 1.00 21.24 H new ATOM 0 HA ASN B 397 -1.569 -14.239 -0.881 1.00 41.02 H new ATOM 0 HB2 ASN B 397 0.210 -12.004 -0.248 1.00 43.12 H new ATOM 0 HB3 ASN B 397 -1.360 -11.427 -0.772 1.00 43.12 H new ATOM 0 HD21 ASN B 397 -1.190 -13.883 2.589 1.00 32.15 H new ATOM 0 HD22 ASN B 397 -0.071 -14.129 1.244 1.00 32.15 H new ATOM 1470 N PRO B 398 -2.919 -12.784 -2.580 1.00 65.53 N ATOM 1471 CA PRO B 398 -3.689 -12.340 -3.746 1.00 43.32 C ATOM 1472 C PRO B 398 -3.364 -10.903 -4.142 1.00 23.11 C ATOM 1473 O PRO B 398 -3.617 -10.488 -5.273 1.00 65.54 O ATOM 1474 CB PRO B 398 -5.141 -12.449 -3.274 1.00 55.45 C ATOM 1475 CG PRO B 398 -5.069 -12.323 -1.791 1.00 44.42 C ATOM 1476 CD PRO B 398 -3.764 -12.952 -1.386 1.00 51.11 C ATOM 0 HA PRO B 398 -3.468 -12.936 -4.632 1.00 43.32 H new ATOM 0 HB2 PRO B 398 -5.758 -11.663 -3.708 1.00 55.45 H new ATOM 0 HB3 PRO B 398 -5.583 -13.401 -3.569 1.00 55.45 H new ATOM 0 HG2 PRO B 398 -5.110 -11.277 -1.486 1.00 44.42 H new ATOM 0 HG3 PRO B 398 -5.910 -12.827 -1.315 1.00 44.42 H new ATOM 0 HD2 PRO B 398 -3.333 -12.457 -0.516 1.00 51.11 H new ATOM 0 HD3 PRO B 398 -3.888 -14.003 -1.126 1.00 51.11 H new ATOM 1484 N LEU B 399 -2.802 -10.149 -3.203 1.00 42.23 N ATOM 1485 CA LEU B 399 -2.442 -8.758 -3.455 1.00 4.12 C ATOM 1486 C LEU B 399 -1.659 -8.178 -2.281 1.00 32.34 C ATOM 1487 O LEU B 399 -2.058 -7.174 -1.689 1.00 74.43 O ATOM 1488 CB LEU B 399 -3.698 -7.922 -3.708 1.00 33.43 C ATOM 1489 CG LEU B 399 -3.600 -6.885 -4.827 1.00 23.54 C ATOM 1490 CD1 LEU B 399 -2.340 -6.047 -4.669 1.00 15.43 C ATOM 1491 CD2 LEU B 399 -3.622 -7.565 -6.188 1.00 52.13 C ATOM 0 H LEU B 399 -2.586 -10.477 -2.262 1.00 42.23 H new ATOM 0 HA LEU B 399 -1.809 -8.727 -4.342 1.00 4.12 H new ATOM 0 HB2 LEU B 399 -4.520 -8.599 -3.939 1.00 33.43 H new ATOM 0 HB3 LEU B 399 -3.959 -7.406 -2.784 1.00 33.43 H new ATOM 0 HG LEU B 399 -4.464 -6.223 -4.759 1.00 23.54 H new ATOM 0 HD11 LEU B 399 -2.287 -5.314 -5.474 1.00 15.43 H new ATOM 0 HD12 LEU B 399 -2.365 -5.530 -3.709 1.00 15.43 H new ATOM 0 HD13 LEU B 399 -1.465 -6.695 -4.710 1.00 15.43 H new ATOM 0 HD21 LEU B 399 -3.551 -6.811 -6.972 1.00 52.13 H new ATOM 0 HD22 LEU B 399 -2.778 -8.250 -6.266 1.00 52.13 H new ATOM 0 HD23 LEU B 399 -4.553 -8.121 -6.302 1.00 52.13 H new ATOM 1503 N LYS B 400 -0.542 -8.815 -1.948 1.00 44.34 N ATOM 1504 CA LYS B 400 0.300 -8.362 -0.847 1.00 52.30 C ATOM 1505 C LYS B 400 1.613 -7.787 -1.367 1.00 71.23 C ATOM 1506 O LYS B 400 2.512 -8.530 -1.765 1.00 75.23 O ATOM 1507 CB LYS B 400 0.581 -9.517 0.117 1.00 44.25 C ATOM 1508 CG LYS B 400 1.444 -9.123 1.303 1.00 51.22 C ATOM 1509 CD LYS B 400 2.441 -10.214 1.655 1.00 75.22 C ATOM 1510 CE LYS B 400 1.750 -11.423 2.268 1.00 53.51 C ATOM 1511 NZ LYS B 400 2.724 -12.364 2.886 1.00 22.42 N ATOM 0 H LYS B 400 -0.198 -9.648 -2.426 1.00 44.34 H new ATOM 0 HA LYS B 400 -0.234 -7.575 -0.314 1.00 52.30 H new ATOM 0 HB2 LYS B 400 -0.367 -9.912 0.483 1.00 44.25 H new ATOM 0 HB3 LYS B 400 1.073 -10.323 -0.428 1.00 44.25 H new ATOM 0 HG2 LYS B 400 1.978 -8.201 1.075 1.00 51.22 H new ATOM 0 HG3 LYS B 400 0.808 -8.918 2.164 1.00 51.22 H new ATOM 0 HD2 LYS B 400 2.981 -10.518 0.758 1.00 75.22 H new ATOM 0 HD3 LYS B 400 3.179 -9.822 2.354 1.00 75.22 H new ATOM 0 HE2 LYS B 400 1.038 -11.090 3.023 1.00 53.51 H new ATOM 0 HE3 LYS B 400 1.180 -11.944 1.499 1.00 53.51 H new ATOM 0 HZ1 LYS B 400 2.214 -13.174 3.292 1.00 22.42 H new ATOM 0 HZ2 LYS B 400 3.389 -12.702 2.161 1.00 22.42 H new ATOM 0 HZ3 LYS B 400 3.251 -11.874 3.637 1.00 22.42 H new ATOM 1525 N ILE B 401 1.720 -6.462 -1.360 1.00 35.42 N ATOM 1526 CA ILE B 401 2.924 -5.790 -1.828 1.00 63.32 C ATOM 1527 C ILE B 401 3.875 -5.496 -0.673 1.00 13.13 C ATOM 1528 O ILE B 401 3.514 -4.804 0.280 1.00 70.13 O ATOM 1529 CB ILE B 401 2.589 -4.473 -2.552 1.00 21.14 C ATOM 1530 CG1 ILE B 401 1.444 -3.751 -1.837 1.00 61.15 C ATOM 1531 CG2 ILE B 401 2.228 -4.742 -4.005 1.00 22.44 C ATOM 1532 CD1 ILE B 401 1.563 -2.243 -1.876 1.00 30.13 C ATOM 0 H ILE B 401 0.986 -5.833 -1.035 1.00 35.42 H new ATOM 0 HA ILE B 401 3.410 -6.467 -2.531 1.00 63.32 H new ATOM 0 HB ILE B 401 3.469 -3.830 -2.531 1.00 21.14 H new ATOM 0 HG12 ILE B 401 0.499 -4.045 -2.293 1.00 61.15 H new ATOM 0 HG13 ILE B 401 1.412 -4.078 -0.798 1.00 61.15 H new ATOM 0 HG21 ILE B 401 1.994 -3.801 -4.502 1.00 22.44 H new ATOM 0 HG22 ILE B 401 3.070 -5.218 -4.507 1.00 22.44 H new ATOM 0 HG23 ILE B 401 1.361 -5.401 -4.048 1.00 22.44 H new ATOM 0 HD11 ILE B 401 0.718 -1.798 -1.350 1.00 30.13 H new ATOM 0 HD12 ILE B 401 2.492 -1.939 -1.394 1.00 30.13 H new ATOM 0 HD13 ILE B 401 1.565 -1.905 -2.912 1.00 30.13 H new ATOM 1544 N ARG B 402 5.091 -6.025 -0.763 1.00 51.55 N ATOM 1545 CA ARG B 402 6.093 -5.818 0.274 1.00 40.41 C ATOM 1546 C ARG B 402 6.958 -4.601 -0.040 1.00 40.42 C ATOM 1547 O ARG B 402 7.828 -4.652 -0.911 1.00 3.55 O ATOM 1548 CB ARG B 402 6.974 -7.060 0.416 1.00 24.14 C ATOM 1549 CG ARG B 402 6.312 -8.192 1.183 1.00 75.05 C ATOM 1550 CD ARG B 402 7.294 -8.887 2.112 1.00 5.34 C ATOM 1551 NE ARG B 402 8.556 -9.192 1.445 1.00 44.44 N ATOM 1552 CZ ARG B 402 8.737 -10.247 0.659 1.00 74.25 C ATOM 1553 NH1 ARG B 402 7.740 -11.094 0.443 1.00 50.12 N ATOM 1554 NH2 ARG B 402 9.916 -10.456 0.087 1.00 72.11 N ATOM 0 H ARG B 402 5.406 -6.600 -1.544 1.00 51.55 H new ATOM 0 HA ARG B 402 5.573 -5.639 1.215 1.00 40.41 H new ATOM 0 HB2 ARG B 402 7.247 -7.417 -0.577 1.00 24.14 H new ATOM 0 HB3 ARG B 402 7.899 -6.783 0.921 1.00 24.14 H new ATOM 0 HG2 ARG B 402 5.477 -7.800 1.763 1.00 75.05 H new ATOM 0 HG3 ARG B 402 5.900 -8.916 0.480 1.00 75.05 H new ATOM 0 HD2 ARG B 402 7.485 -8.252 2.977 1.00 5.34 H new ATOM 0 HD3 ARG B 402 6.849 -9.809 2.485 1.00 5.34 H new ATOM 0 HE ARG B 402 9.343 -8.559 1.591 1.00 44.44 H new ATOM 0 HH11 ARG B 402 6.832 -10.936 0.881 1.00 50.12 H new ATOM 0 HH12 ARG B 402 7.881 -11.904 -0.161 1.00 50.12 H new ATOM 0 HH21 ARG B 402 10.685 -9.806 0.251 1.00 72.11 H new ATOM 0 HH22 ARG B 402 10.054 -11.267 -0.516 1.00 72.11 H new ATOM 1568 N LEU B 403 6.713 -3.506 0.673 1.00 71.52 N ATOM 1569 CA LEU B 403 7.468 -2.276 0.470 1.00 45.02 C ATOM 1570 C LEU B 403 8.731 -2.264 1.325 1.00 24.41 C ATOM 1571 O LEU B 403 8.697 -2.604 2.509 1.00 63.53 O ATOM 1572 CB LEU B 403 6.602 -1.060 0.805 1.00 71.20 C ATOM 1573 CG LEU B 403 5.634 -0.604 -0.288 1.00 5.14 C ATOM 1574 CD1 LEU B 403 4.947 -1.802 -0.926 1.00 14.45 C ATOM 1575 CD2 LEU B 403 4.607 0.364 0.280 1.00 65.21 C ATOM 0 H LEU B 403 5.997 -3.446 1.397 1.00 71.52 H new ATOM 0 HA LEU B 403 7.760 -2.229 -0.579 1.00 45.02 H new ATOM 0 HB2 LEU B 403 6.025 -1.286 1.702 1.00 71.20 H new ATOM 0 HB3 LEU B 403 7.260 -0.227 1.050 1.00 71.20 H new ATOM 0 HG LEU B 403 6.204 -0.086 -1.059 1.00 5.14 H new ATOM 0 HD11 LEU B 403 4.262 -1.458 -1.701 1.00 14.45 H new ATOM 0 HD12 LEU B 403 5.696 -2.458 -1.369 1.00 14.45 H new ATOM 0 HD13 LEU B 403 4.389 -2.349 -0.166 1.00 14.45 H new ATOM 0 HD21 LEU B 403 3.926 0.678 -0.511 1.00 65.21 H new ATOM 0 HD22 LEU B 403 4.041 -0.129 1.071 1.00 65.21 H new ATOM 0 HD23 LEU B 403 5.116 1.237 0.688 1.00 65.21 H new ATOM 1587 N THR B 404 9.848 -1.870 0.719 1.00 14.24 N ATOM 1588 CA THR B 404 11.121 -1.813 1.425 1.00 70.52 C ATOM 1589 C THR B 404 12.012 -0.712 0.863 1.00 1.12 C ATOM 1590 O THR B 404 12.029 -0.468 -0.343 1.00 61.11 O ATOM 1591 CB THR B 404 11.870 -3.157 1.340 1.00 1.42 C ATOM 1592 OG1 THR B 404 12.353 -3.365 0.009 1.00 65.33 O ATOM 1593 CG2 THR B 404 10.962 -4.309 1.743 1.00 62.24 C ATOM 0 H THR B 404 9.895 -1.586 -0.259 1.00 14.24 H new ATOM 0 HA THR B 404 10.895 -1.596 2.469 1.00 70.52 H new ATOM 0 HB THR B 404 12.713 -3.123 2.030 1.00 1.42 H new ATOM 0 HG1 THR B 404 12.829 -4.220 -0.036 1.00 65.33 H new ATOM 0 HG21 THR B 404 11.513 -5.247 1.675 1.00 62.24 H new ATOM 0 HG22 THR B 404 10.621 -4.162 2.768 1.00 62.24 H new ATOM 0 HG23 THR B 404 10.101 -4.344 1.075 1.00 62.24 H new ATOM 1601 N ARG B 405 12.752 -0.048 1.746 1.00 4.41 N ATOM 1602 CA ARG B 405 13.646 1.030 1.338 1.00 62.45 C ATOM 1603 C ARG B 405 14.546 0.583 0.189 1.00 5.12 C ATOM 1604 O ARG B 405 14.696 -0.612 -0.066 1.00 11.22 O ATOM 1605 CB ARG B 405 14.500 1.488 2.521 1.00 53.23 C ATOM 1606 CG ARG B 405 13.737 2.323 3.535 1.00 14.54 C ATOM 1607 CD ARG B 405 14.618 2.718 4.709 1.00 21.20 C ATOM 1608 NE ARG B 405 16.014 2.888 4.313 1.00 51.22 N ATOM 1609 CZ ARG B 405 16.455 3.919 3.601 1.00 21.14 C ATOM 1610 NH1 ARG B 405 15.614 4.868 3.210 1.00 23.12 N ATOM 1611 NH2 ARG B 405 17.740 4.004 3.280 1.00 52.23 N ATOM 0 H ARG B 405 12.750 -0.238 2.748 1.00 4.41 H new ATOM 0 HA ARG B 405 13.036 1.865 0.995 1.00 62.45 H new ATOM 0 HB2 ARG B 405 14.913 0.612 3.021 1.00 53.23 H new ATOM 0 HB3 ARG B 405 15.344 2.068 2.146 1.00 53.23 H new ATOM 0 HG2 ARG B 405 13.350 3.220 3.051 1.00 14.54 H new ATOM 0 HG3 ARG B 405 12.877 1.760 3.898 1.00 14.54 H new ATOM 0 HD2 ARG B 405 14.249 3.647 5.143 1.00 21.20 H new ATOM 0 HD3 ARG B 405 14.552 1.955 5.485 1.00 21.20 H new ATOM 0 HE ARG B 405 16.686 2.176 4.599 1.00 51.22 H new ATOM 0 HH11 ARG B 405 14.626 4.807 3.456 1.00 23.12 H new ATOM 0 HH12 ARG B 405 15.956 5.659 2.663 1.00 23.12 H new ATOM 0 HH21 ARG B 405 18.390 3.277 3.580 1.00 52.23 H new ATOM 0 HH22 ARG B 405 18.078 4.796 2.733 1.00 52.23 H new TER 1625 ARG B 405