USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 795 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 609 CYS SG : rot -141:sc= -7.3! USER MOD Set 1.2: A 658 SER OG : rot 120:sc= -0.0415 USER MOD Set 2.1: A 615 THR OG1 : rot 180:sc= -1.36 USER MOD Set 2.2: A 631 GLN : amide:sc= -2.07! K(o=-3.4!,f=-2.8) USER MOD Single : A 594 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= 0.155 X(o=0.16,f=-0.082) USER MOD Single : A 599 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.9!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.23) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 613 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 LYS NZ :NH3+ -173:sc= -0.366 (180deg=-0.533) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 GLN : amide:sc= -2.06! K(o=-2.1!,f=-1) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 CYS SG : rot -110:sc= 0.0562 USER MOD Single : A 632 SER OG : rot 65:sc= -0.0766 USER MOD Single : A 635 LYS NZ :NH3+ 143:sc= -0.207 (180deg=-0.63) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 653 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 654 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.5!) USER MOD Single : A 656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 CYS SG : rot 16:sc= -0.323 USER MOD Single : A 664 TYR OH : rot 180:sc= 0 USER MOD Single : A 665 THR OG1 : rot 122:sc= 0.266 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 670 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 672 ASN : amide:sc= -0.99 X(o=-0.99,f=-0.66) USER MOD Single : A 673 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 SER OG : rot -135:sc= 0.174 USER MOD Single : A 681 THR OG1 : rot -70:sc= 0.744 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00321) USER MOD Single : A 686 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 594 16.588 -11.051 6.021 1.00 4.95 N ATOM 2 CA MET A 594 15.117 -11.246 5.951 1.00 4.53 C ATOM 3 C MET A 594 14.401 -9.931 5.658 1.00 3.54 C ATOM 4 O MET A 594 15.003 -8.989 5.141 1.00 3.72 O ATOM 5 CB MET A 594 14.637 -11.827 7.283 1.00 4.98 C ATOM 6 CG MET A 594 15.062 -11.009 8.492 1.00 5.57 C ATOM 7 SD MET A 594 14.278 -11.568 10.016 1.00 6.15 S ATOM 8 CE MET A 594 14.815 -10.297 11.158 1.00 6.74 C ATOM 0 HA MET A 594 14.885 -11.934 5.138 1.00 4.53 H new ATOM 0 HB2 MET A 594 13.549 -11.899 7.268 1.00 4.98 H new ATOM 0 HB3 MET A 594 15.022 -12.841 7.387 1.00 4.98 H new ATOM 0 HG2 MET A 594 16.145 -11.066 8.602 1.00 5.57 H new ATOM 0 HG3 MET A 594 14.814 -9.961 8.323 1.00 5.57 H new ATOM 0 HE1 MET A 594 14.410 -10.503 12.149 1.00 6.74 H new ATOM 0 HE2 MET A 594 15.904 -10.287 11.206 1.00 6.74 H new ATOM 0 HE3 MET A 594 14.458 -9.326 10.815 1.00 6.74 H new ATOM 20 N ASP A 595 13.113 -9.872 5.990 1.00 2.89 N ATOM 21 CA ASP A 595 12.315 -8.670 5.763 1.00 1.92 C ATOM 22 C ASP A 595 12.735 -7.553 6.714 1.00 1.31 C ATOM 23 O ASP A 595 13.785 -7.632 7.352 1.00 1.55 O ATOM 24 CB ASP A 595 10.825 -8.976 5.940 1.00 2.03 C ATOM 25 CG ASP A 595 10.528 -10.464 5.909 1.00 3.00 C ATOM 26 OD1 ASP A 595 10.780 -11.099 4.865 1.00 3.29 O ATOM 27 OD2 ASP A 595 10.040 -10.991 6.931 1.00 3.81 O ATOM 0 H ASP A 595 12.600 -10.643 6.417 1.00 2.89 H new ATOM 0 HA ASP A 595 12.488 -8.337 4.740 1.00 1.92 H new ATOM 0 HB2 ASP A 595 10.482 -8.560 6.888 1.00 2.03 H new ATOM 0 HB3 ASP A 595 10.260 -8.480 5.151 1.00 2.03 H new ATOM 32 N GLU A 596 11.909 -6.514 6.809 1.00 0.89 N ATOM 33 CA GLU A 596 12.202 -5.386 7.686 1.00 1.23 C ATOM 34 C GLU A 596 11.135 -5.257 8.765 1.00 1.42 C ATOM 35 O GLU A 596 11.439 -5.015 9.932 1.00 2.06 O ATOM 36 CB GLU A 596 12.287 -4.091 6.876 1.00 1.81 C ATOM 37 CG GLU A 596 13.684 -3.495 6.826 1.00 2.33 C ATOM 38 CD GLU A 596 13.770 -2.153 7.527 1.00 2.97 C ATOM 39 OE1 GLU A 596 13.272 -2.046 8.667 1.00 3.33 O ATOM 40 OE2 GLU A 596 14.335 -1.210 6.935 1.00 3.52 O ATOM 0 H GLU A 596 11.034 -6.431 6.291 1.00 0.89 H new ATOM 0 HA GLU A 596 13.164 -5.565 8.166 1.00 1.23 H new ATOM 0 HB2 GLU A 596 11.948 -4.286 5.859 1.00 1.81 H new ATOM 0 HB3 GLU A 596 11.604 -3.358 7.305 1.00 1.81 H new ATOM 0 HG2 GLU A 596 14.387 -4.188 7.288 1.00 2.33 H new ATOM 0 HG3 GLU A 596 13.988 -3.378 5.786 1.00 2.33 H new ATOM 47 N ASN A 597 9.885 -5.427 8.358 1.00 1.22 N ATOM 48 CA ASN A 597 8.758 -5.341 9.274 1.00 1.36 C ATOM 49 C ASN A 597 7.544 -6.049 8.688 1.00 1.09 C ATOM 50 O ASN A 597 6.933 -6.898 9.337 1.00 1.22 O ATOM 51 CB ASN A 597 8.420 -3.879 9.569 1.00 1.69 C ATOM 52 CG ASN A 597 8.314 -3.598 11.055 1.00 2.08 C ATOM 53 OD1 ASN A 597 7.339 -3.005 11.520 1.00 2.35 O ATOM 54 ND2 ASN A 597 9.319 -4.025 11.811 1.00 2.79 N ATOM 0 H ASN A 597 9.625 -5.627 7.392 1.00 1.22 H new ATOM 0 HA ASN A 597 9.035 -5.832 10.207 1.00 1.36 H new ATOM 0 HB2 ASN A 597 9.186 -3.237 9.135 1.00 1.69 H new ATOM 0 HB3 ASN A 597 7.477 -3.622 9.085 1.00 1.69 H new ATOM 0 HD21 ASN A 597 9.303 -3.866 12.818 1.00 2.79 H new ATOM 0 HD22 ASN A 597 10.107 -4.512 11.384 1.00 2.79 H new ATOM 61 N ILE A 598 7.209 -5.700 7.450 1.00 0.87 N ATOM 62 CA ILE A 598 6.074 -6.303 6.764 1.00 0.64 C ATOM 63 C ILE A 598 6.515 -6.985 5.474 1.00 0.66 C ATOM 64 O ILE A 598 6.874 -6.323 4.500 1.00 0.79 O ATOM 65 CB ILE A 598 4.989 -5.255 6.434 1.00 0.49 C ATOM 66 CG1 ILE A 598 4.610 -4.456 7.686 1.00 0.69 C ATOM 67 CG2 ILE A 598 3.763 -5.931 5.838 1.00 0.35 C ATOM 68 CD1 ILE A 598 4.321 -5.317 8.898 1.00 0.83 C ATOM 0 H ILE A 598 7.709 -5.001 6.901 1.00 0.87 H new ATOM 0 HA ILE A 598 5.653 -7.046 7.442 1.00 0.64 H new ATOM 0 HB ILE A 598 5.393 -4.561 5.697 1.00 0.49 H new ATOM 0 HG12 ILE A 598 5.421 -3.768 7.926 1.00 0.69 H new ATOM 0 HG13 ILE A 598 3.732 -3.849 7.466 1.00 0.69 H new ATOM 0 HG21 ILE A 598 3.007 -5.179 5.611 1.00 0.35 H new ATOM 0 HG22 ILE A 598 4.044 -6.452 4.922 1.00 0.35 H new ATOM 0 HG23 ILE A 598 3.359 -6.647 6.553 1.00 0.35 H new ATOM 0 HD11 ILE A 598 4.061 -4.680 9.743 1.00 0.83 H new ATOM 0 HD12 ILE A 598 3.489 -5.987 8.679 1.00 0.83 H new ATOM 0 HD13 ILE A 598 5.205 -5.905 9.146 1.00 0.83 H new ATOM 80 N ASN A 599 6.486 -8.315 5.476 1.00 0.73 N ATOM 81 CA ASN A 599 6.883 -9.089 4.305 1.00 0.83 C ATOM 82 C ASN A 599 5.939 -8.823 3.136 1.00 0.95 C ATOM 83 O ASN A 599 5.012 -8.022 3.245 1.00 1.52 O ATOM 84 CB ASN A 599 6.894 -10.584 4.636 1.00 0.98 C ATOM 85 CG ASN A 599 5.675 -11.010 5.431 1.00 1.45 C ATOM 86 OD1 ASN A 599 4.590 -10.451 5.273 1.00 2.10 O ATOM 87 ND2 ASN A 599 5.849 -12.005 6.294 1.00 2.19 N ATOM 0 H ASN A 599 6.192 -8.878 6.274 1.00 0.73 H new ATOM 0 HA ASN A 599 7.888 -8.780 4.017 1.00 0.83 H new ATOM 0 HB2 ASN A 599 6.939 -11.158 3.710 1.00 0.98 H new ATOM 0 HB3 ASN A 599 7.795 -10.821 5.202 1.00 0.98 H new ATOM 0 HD21 ASN A 599 5.065 -12.334 6.858 1.00 2.19 H new ATOM 0 HD22 ASN A 599 6.766 -12.440 6.393 1.00 2.19 H new ATOM 94 N PHE A 600 6.182 -9.499 2.018 1.00 0.69 N ATOM 95 CA PHE A 600 5.352 -9.335 0.831 1.00 0.82 C ATOM 96 C PHE A 600 5.159 -10.670 0.121 1.00 0.89 C ATOM 97 O PHE A 600 4.471 -10.752 -0.897 1.00 1.04 O ATOM 98 CB PHE A 600 5.972 -8.310 -0.121 1.00 0.93 C ATOM 99 CG PHE A 600 7.209 -8.797 -0.826 1.00 1.05 C ATOM 100 CD1 PHE A 600 8.422 -8.857 -0.161 1.00 1.38 C ATOM 101 CD2 PHE A 600 7.154 -9.201 -2.151 1.00 1.21 C ATOM 102 CE1 PHE A 600 9.559 -9.310 -0.803 1.00 1.92 C ATOM 103 CE2 PHE A 600 8.287 -9.656 -2.798 1.00 1.63 C ATOM 104 CZ PHE A 600 9.496 -9.682 -2.135 1.00 2.02 C ATOM 0 H PHE A 600 6.947 -10.165 1.909 1.00 0.69 H new ATOM 0 HA PHE A 600 4.375 -8.968 1.146 1.00 0.82 H new ATOM 0 HB2 PHE A 600 5.229 -8.027 -0.867 1.00 0.93 H new ATOM 0 HB3 PHE A 600 6.218 -7.410 0.442 1.00 0.93 H new ATOM 0 HD1 PHE A 600 8.480 -8.546 0.872 1.00 1.38 H new ATOM 0 HD2 PHE A 600 6.215 -9.160 -2.683 1.00 1.21 H new ATOM 0 HE1 PHE A 600 10.494 -9.374 -0.267 1.00 1.92 H new ATOM 0 HE2 PHE A 600 8.226 -9.991 -3.823 1.00 1.63 H new ATOM 0 HZ PHE A 600 10.391 -9.992 -2.654 1.00 2.02 H new ATOM 114 N LYS A 601 5.775 -11.713 0.668 1.00 0.87 N ATOM 115 CA LYS A 601 5.680 -13.050 0.092 1.00 1.02 C ATOM 116 C LYS A 601 4.324 -13.683 0.393 1.00 0.99 C ATOM 117 O LYS A 601 4.053 -14.813 -0.013 1.00 1.13 O ATOM 118 CB LYS A 601 6.800 -13.940 0.629 1.00 1.16 C ATOM 119 CG LYS A 601 8.203 -13.438 0.309 1.00 1.16 C ATOM 120 CD LYS A 601 8.286 -12.762 -1.055 1.00 1.78 C ATOM 121 CE LYS A 601 8.232 -13.776 -2.187 1.00 2.40 C ATOM 122 NZ LYS A 601 9.030 -13.334 -3.362 1.00 3.20 N ATOM 0 H LYS A 601 6.346 -11.658 1.511 1.00 0.87 H new ATOM 0 HA LYS A 601 5.783 -12.958 -0.989 1.00 1.02 H new ATOM 0 HB2 LYS A 601 6.694 -14.025 1.711 1.00 1.16 H new ATOM 0 HB3 LYS A 601 6.682 -14.942 0.217 1.00 1.16 H new ATOM 0 HG2 LYS A 601 8.518 -12.734 1.079 1.00 1.16 H new ATOM 0 HG3 LYS A 601 8.900 -14.275 0.339 1.00 1.16 H new ATOM 0 HD2 LYS A 601 7.465 -12.053 -1.161 1.00 1.78 H new ATOM 0 HD3 LYS A 601 9.211 -12.190 -1.122 1.00 1.78 H new ATOM 0 HE2 LYS A 601 8.607 -14.736 -1.833 1.00 2.40 H new ATOM 0 HE3 LYS A 601 7.196 -13.930 -2.488 1.00 2.40 H new ATOM 0 HZ1 LYS A 601 8.969 -14.051 -4.113 1.00 3.20 H new ATOM 0 HZ2 LYS A 601 8.656 -12.430 -3.715 1.00 3.20 H new ATOM 0 HZ3 LYS A 601 10.024 -13.211 -3.081 1.00 3.20 H new ATOM 136 N GLN A 602 3.477 -12.947 1.104 1.00 0.85 N ATOM 137 CA GLN A 602 2.151 -13.437 1.457 1.00 0.89 C ATOM 138 C GLN A 602 1.142 -13.109 0.362 1.00 0.98 C ATOM 139 O GLN A 602 1.444 -12.362 -0.569 1.00 1.98 O ATOM 140 CB GLN A 602 1.691 -12.830 2.785 1.00 0.87 C ATOM 141 CG GLN A 602 2.820 -12.596 3.777 1.00 0.78 C ATOM 142 CD GLN A 602 3.681 -13.827 3.985 1.00 0.99 C ATOM 143 OE1 GLN A 602 3.221 -14.840 4.514 1.00 1.25 O ATOM 144 NE2 GLN A 602 4.939 -13.746 3.568 1.00 1.15 N ATOM 0 H GLN A 602 3.686 -12.009 1.447 1.00 0.85 H new ATOM 0 HA GLN A 602 2.211 -14.520 1.563 1.00 0.89 H new ATOM 0 HB2 GLN A 602 1.192 -11.882 2.587 1.00 0.87 H new ATOM 0 HB3 GLN A 602 0.952 -13.490 3.239 1.00 0.87 H new ATOM 0 HG2 GLN A 602 3.445 -11.776 3.423 1.00 0.78 H new ATOM 0 HG3 GLN A 602 2.399 -12.286 4.734 1.00 0.78 H new ATOM 0 HE21 GLN A 602 5.278 -12.887 3.135 1.00 1.15 H new ATOM 0 HE22 GLN A 602 5.566 -14.543 3.681 1.00 1.15 H new ATOM 153 N SER A 603 -0.055 -13.671 0.481 1.00 0.46 N ATOM 154 CA SER A 603 -1.108 -13.436 -0.499 1.00 0.46 C ATOM 155 C SER A 603 -1.959 -12.233 -0.104 1.00 0.42 C ATOM 156 O SER A 603 -2.670 -11.665 -0.933 1.00 0.55 O ATOM 157 CB SER A 603 -1.990 -14.678 -0.637 1.00 0.52 C ATOM 158 OG SER A 603 -1.250 -15.773 -1.149 1.00 1.06 O ATOM 0 H SER A 603 -0.320 -14.292 1.246 1.00 0.46 H new ATOM 0 HA SER A 603 -0.638 -13.225 -1.459 1.00 0.46 H new ATOM 0 HB2 SER A 603 -2.409 -14.940 0.334 1.00 0.52 H new ATOM 0 HB3 SER A 603 -2.829 -14.461 -1.298 1.00 0.52 H new ATOM 0 HG SER A 603 -1.835 -16.555 -1.227 1.00 1.06 H new ATOM 164 N GLU A 604 -1.878 -11.849 1.168 1.00 0.31 N ATOM 165 CA GLU A 604 -2.640 -10.713 1.674 1.00 0.30 C ATOM 166 C GLU A 604 -1.763 -9.806 2.533 1.00 0.27 C ATOM 167 O GLU A 604 -1.087 -10.268 3.452 1.00 0.38 O ATOM 168 CB GLU A 604 -3.842 -11.198 2.486 1.00 0.35 C ATOM 169 CG GLU A 604 -4.861 -11.969 1.662 1.00 0.51 C ATOM 170 CD GLU A 604 -4.759 -13.469 1.861 1.00 0.82 C ATOM 171 OE1 GLU A 604 -3.679 -13.941 2.273 1.00 1.48 O ATOM 172 OE2 GLU A 604 -5.759 -14.171 1.604 1.00 1.26 O ATOM 0 H GLU A 604 -1.292 -12.308 1.866 1.00 0.31 H new ATOM 0 HA GLU A 604 -2.996 -10.138 0.819 1.00 0.30 H new ATOM 0 HB2 GLU A 604 -3.489 -11.833 3.299 1.00 0.35 H new ATOM 0 HB3 GLU A 604 -4.332 -10.338 2.943 1.00 0.35 H new ATOM 0 HG2 GLU A 604 -5.864 -11.638 1.930 1.00 0.51 H new ATOM 0 HG3 GLU A 604 -4.720 -11.736 0.607 1.00 0.51 H new ATOM 179 N LEU A 605 -1.781 -8.511 2.226 1.00 0.20 N ATOM 180 CA LEU A 605 -0.991 -7.534 2.967 1.00 0.22 C ATOM 181 C LEU A 605 -1.897 -6.559 3.717 1.00 0.19 C ATOM 182 O LEU A 605 -2.678 -5.833 3.105 1.00 0.24 O ATOM 183 CB LEU A 605 -0.072 -6.766 2.014 1.00 0.27 C ATOM 184 CG LEU A 605 1.330 -6.470 2.554 1.00 0.38 C ATOM 185 CD1 LEU A 605 2.045 -7.762 2.922 1.00 1.26 C ATOM 186 CD2 LEU A 605 2.138 -5.685 1.531 1.00 1.04 C ATOM 0 H LEU A 605 -2.336 -8.114 1.467 1.00 0.20 H new ATOM 0 HA LEU A 605 -0.383 -8.070 3.696 1.00 0.22 H new ATOM 0 HB2 LEU A 605 0.025 -7.337 1.091 1.00 0.27 H new ATOM 0 HB3 LEU A 605 -0.551 -5.822 1.756 1.00 0.27 H new ATOM 0 HG LEU A 605 1.232 -5.864 3.455 1.00 0.38 H new ATOM 0 HD11 LEU A 605 3.040 -7.531 3.304 1.00 1.26 H new ATOM 0 HD12 LEU A 605 1.475 -8.288 3.688 1.00 1.26 H new ATOM 0 HD13 LEU A 605 2.133 -8.394 2.038 1.00 1.26 H new ATOM 0 HD21 LEU A 605 3.132 -5.483 1.930 1.00 1.04 H new ATOM 0 HD22 LEU A 605 2.227 -6.267 0.614 1.00 1.04 H new ATOM 0 HD23 LEU A 605 1.635 -4.742 1.316 1.00 1.04 H new ATOM 198 N PRO A 606 -1.809 -6.531 5.059 1.00 0.21 N ATOM 199 CA PRO A 606 -2.633 -5.637 5.882 1.00 0.21 C ATOM 200 C PRO A 606 -2.366 -4.164 5.584 1.00 0.20 C ATOM 201 O PRO A 606 -1.235 -3.691 5.703 1.00 0.34 O ATOM 202 CB PRO A 606 -2.215 -5.975 7.319 1.00 0.28 C ATOM 203 CG PRO A 606 -0.882 -6.628 7.191 1.00 0.44 C ATOM 204 CD PRO A 606 -0.909 -7.359 5.880 1.00 0.33 C ATOM 0 HA PRO A 606 -3.697 -5.780 5.691 1.00 0.21 H new ATOM 0 HB2 PRO A 606 -2.157 -5.077 7.934 1.00 0.28 H new ATOM 0 HB3 PRO A 606 -2.936 -6.640 7.793 1.00 0.28 H new ATOM 0 HG2 PRO A 606 -0.081 -5.889 7.210 1.00 0.44 H new ATOM 0 HG3 PRO A 606 -0.702 -7.315 8.018 1.00 0.44 H new ATOM 0 HD2 PRO A 606 0.085 -7.434 5.439 1.00 0.33 H new ATOM 0 HD3 PRO A 606 -1.286 -8.376 5.992 1.00 0.33 H new ATOM 212 N VAL A 607 -3.418 -3.443 5.207 1.00 0.14 N ATOM 213 CA VAL A 607 -3.305 -2.022 4.904 1.00 0.13 C ATOM 214 C VAL A 607 -4.193 -1.210 5.834 1.00 0.10 C ATOM 215 O VAL A 607 -5.216 -1.702 6.311 1.00 0.11 O ATOM 216 CB VAL A 607 -3.689 -1.715 3.442 1.00 0.18 C ATOM 217 CG1 VAL A 607 -2.451 -1.682 2.560 1.00 0.37 C ATOM 218 CG2 VAL A 607 -4.696 -2.730 2.922 1.00 0.31 C ATOM 0 H VAL A 607 -4.360 -3.821 5.104 1.00 0.14 H new ATOM 0 HA VAL A 607 -2.261 -1.744 5.051 1.00 0.13 H new ATOM 0 HB VAL A 607 -4.157 -0.731 3.412 1.00 0.18 H new ATOM 0 HG11 VAL A 607 -2.742 -1.464 1.532 1.00 0.37 H new ATOM 0 HG12 VAL A 607 -1.771 -0.908 2.916 1.00 0.37 H new ATOM 0 HG13 VAL A 607 -1.951 -2.650 2.598 1.00 0.37 H new ATOM 0 HG21 VAL A 607 -4.952 -2.493 1.889 1.00 0.31 H new ATOM 0 HG22 VAL A 607 -4.263 -3.729 2.968 1.00 0.31 H new ATOM 0 HG23 VAL A 607 -5.596 -2.696 3.535 1.00 0.31 H new ATOM 228 N THR A 608 -3.799 0.030 6.097 1.00 0.11 N ATOM 229 CA THR A 608 -4.567 0.897 6.981 1.00 0.12 C ATOM 230 C THR A 608 -4.514 2.348 6.530 1.00 0.11 C ATOM 231 O THR A 608 -3.517 3.037 6.739 1.00 0.16 O ATOM 232 CB THR A 608 -4.054 0.825 8.427 1.00 0.16 C ATOM 233 OG1 THR A 608 -2.632 1.000 8.452 1.00 0.30 O ATOM 234 CG2 THR A 608 -4.419 -0.502 9.075 1.00 0.34 C ATOM 0 H THR A 608 -2.956 0.456 5.713 1.00 0.11 H new ATOM 0 HA THR A 608 -5.595 0.538 6.937 1.00 0.12 H new ATOM 0 HB THR A 608 -4.530 1.625 8.994 1.00 0.16 H new ATOM 0 HG1 THR A 608 -2.313 0.955 9.378 1.00 0.30 H new ATOM 0 HG21 THR A 608 -4.043 -0.523 10.098 1.00 0.34 H new ATOM 0 HG22 THR A 608 -5.503 -0.616 9.085 1.00 0.34 H new ATOM 0 HG23 THR A 608 -3.973 -1.319 8.507 1.00 0.34 H new ATOM 242 N CYS A 609 -5.595 2.813 5.921 1.00 0.15 N ATOM 243 CA CYS A 609 -5.671 4.190 5.454 1.00 0.17 C ATOM 244 C CYS A 609 -6.605 5.010 6.337 1.00 0.17 C ATOM 245 O CYS A 609 -7.824 4.909 6.227 1.00 0.18 O ATOM 246 CB CYS A 609 -6.162 4.227 4.012 1.00 0.20 C ATOM 247 SG CYS A 609 -6.399 5.895 3.356 1.00 0.67 S ATOM 0 H CYS A 609 -6.431 2.258 5.739 1.00 0.15 H new ATOM 0 HA CYS A 609 -4.672 4.624 5.507 1.00 0.17 H new ATOM 0 HB2 CYS A 609 -5.446 3.699 3.382 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -7.105 3.685 3.947 1.00 0.20 H new ATOM 0 HG CYS A 609 -7.460 5.919 2.605 1.00 0.67 H new ATOM 253 N GLY A 610 -6.025 5.828 7.207 1.00 0.21 N ATOM 254 CA GLY A 610 -6.822 6.656 8.094 1.00 0.23 C ATOM 255 C GLY A 610 -7.769 5.840 8.953 1.00 0.22 C ATOM 256 O GLY A 610 -8.985 6.033 8.898 1.00 0.23 O ATOM 0 H GLY A 610 -5.016 5.933 7.315 1.00 0.21 H new ATOM 0 HA2 GLY A 610 -6.160 7.235 8.738 1.00 0.23 H new ATOM 0 HA3 GLY A 610 -7.396 7.369 7.502 1.00 0.23 H new ATOM 260 N GLU A 611 -7.209 4.919 9.741 1.00 0.25 N ATOM 261 CA GLU A 611 -8.004 4.056 10.618 1.00 0.31 C ATOM 262 C GLU A 611 -8.860 3.086 9.810 1.00 0.28 C ATOM 263 O GLU A 611 -9.573 2.254 10.372 1.00 0.35 O ATOM 264 CB GLU A 611 -8.895 4.891 11.541 1.00 0.37 C ATOM 265 CG GLU A 611 -8.166 6.037 12.223 1.00 1.46 C ATOM 266 CD GLU A 611 -8.870 7.367 12.037 1.00 2.00 C ATOM 267 OE1 GLU A 611 -9.908 7.586 12.694 1.00 2.48 O ATOM 268 OE2 GLU A 611 -8.383 8.189 11.231 1.00 2.54 O ATOM 0 H GLU A 611 -6.204 4.751 9.790 1.00 0.25 H new ATOM 0 HA GLU A 611 -7.308 3.478 11.227 1.00 0.31 H new ATOM 0 HB2 GLU A 611 -9.726 5.294 10.962 1.00 0.37 H new ATOM 0 HB3 GLU A 611 -9.324 4.240 12.303 1.00 0.37 H new ATOM 0 HG2 GLU A 611 -8.076 5.823 13.288 1.00 1.46 H new ATOM 0 HG3 GLU A 611 -7.154 6.107 11.825 1.00 1.46 H new ATOM 275 N VAL A 612 -8.787 3.202 8.488 1.00 0.20 N ATOM 276 CA VAL A 612 -9.554 2.343 7.595 1.00 0.22 C ATOM 277 C VAL A 612 -8.712 1.162 7.119 1.00 0.21 C ATOM 278 O VAL A 612 -7.984 1.262 6.132 1.00 0.30 O ATOM 279 CB VAL A 612 -10.064 3.134 6.376 1.00 0.22 C ATOM 280 CG1 VAL A 612 -10.843 2.234 5.428 1.00 0.27 C ATOM 281 CG2 VAL A 612 -10.920 4.308 6.827 1.00 0.25 C ATOM 0 H VAL A 612 -8.201 3.887 8.010 1.00 0.20 H new ATOM 0 HA VAL A 612 -10.409 1.966 8.157 1.00 0.22 H new ATOM 0 HB VAL A 612 -9.200 3.521 5.836 1.00 0.22 H new ATOM 0 HG11 VAL A 612 -11.192 2.818 4.576 1.00 0.27 H new ATOM 0 HG12 VAL A 612 -10.197 1.430 5.077 1.00 0.27 H new ATOM 0 HG13 VAL A 612 -11.699 1.809 5.951 1.00 0.27 H new ATOM 0 HG21 VAL A 612 -11.273 4.857 5.954 1.00 0.25 H new ATOM 0 HG22 VAL A 612 -11.775 3.939 7.393 1.00 0.25 H new ATOM 0 HG23 VAL A 612 -10.326 4.970 7.457 1.00 0.25 H new ATOM 291 N LYS A 613 -8.812 0.045 7.833 1.00 0.15 N ATOM 292 CA LYS A 613 -8.055 -1.155 7.493 1.00 0.14 C ATOM 293 C LYS A 613 -8.603 -1.825 6.237 1.00 0.15 C ATOM 294 O LYS A 613 -9.685 -1.485 5.758 1.00 0.25 O ATOM 295 CB LYS A 613 -8.085 -2.143 8.660 1.00 0.16 C ATOM 296 CG LYS A 613 -6.824 -2.983 8.784 1.00 0.35 C ATOM 297 CD LYS A 613 -6.990 -4.080 9.821 1.00 0.69 C ATOM 298 CE LYS A 613 -5.703 -4.316 10.594 1.00 1.45 C ATOM 299 NZ LYS A 613 -5.800 -5.507 11.484 1.00 1.76 N ATOM 0 H LYS A 613 -9.411 -0.054 8.652 1.00 0.15 H new ATOM 0 HA LYS A 613 -7.026 -0.854 7.295 1.00 0.14 H new ATOM 0 HB2 LYS A 613 -8.236 -1.591 9.588 1.00 0.16 H new ATOM 0 HB3 LYS A 613 -8.942 -2.806 8.541 1.00 0.16 H new ATOM 0 HG2 LYS A 613 -6.584 -3.427 7.818 1.00 0.35 H new ATOM 0 HG3 LYS A 613 -5.985 -2.344 9.059 1.00 0.35 H new ATOM 0 HD2 LYS A 613 -7.787 -3.810 10.514 1.00 0.69 H new ATOM 0 HD3 LYS A 613 -7.295 -5.004 9.329 1.00 0.69 H new ATOM 0 HE2 LYS A 613 -4.879 -4.452 9.894 1.00 1.45 H new ATOM 0 HE3 LYS A 613 -5.471 -3.434 11.191 1.00 1.45 H new ATOM 0 HZ1 LYS A 613 -4.902 -5.634 11.993 1.00 1.76 H new ATOM 0 HZ2 LYS A 613 -6.570 -5.367 12.169 1.00 1.76 H new ATOM 0 HZ3 LYS A 613 -5.996 -6.353 10.912 1.00 1.76 H new ATOM 313 N GLY A 614 -7.843 -2.783 5.713 1.00 0.13 N ATOM 314 CA GLY A 614 -8.250 -3.502 4.523 1.00 0.14 C ATOM 315 C GLY A 614 -7.270 -4.603 4.168 1.00 0.15 C ATOM 316 O GLY A 614 -6.179 -4.675 4.734 1.00 0.24 O ATOM 0 H GLY A 614 -6.944 -3.074 6.098 1.00 0.13 H new ATOM 0 HA2 GLY A 614 -9.239 -3.932 4.679 1.00 0.14 H new ATOM 0 HA3 GLY A 614 -8.333 -2.806 3.688 1.00 0.14 H new ATOM 320 N THR A 615 -7.658 -5.466 3.236 1.00 0.15 N ATOM 321 CA THR A 615 -6.803 -6.571 2.813 1.00 0.16 C ATOM 322 C THR A 615 -6.259 -6.341 1.407 1.00 0.14 C ATOM 323 O THR A 615 -7.021 -6.206 0.451 1.00 0.17 O ATOM 324 CB THR A 615 -7.561 -7.911 2.845 1.00 0.20 C ATOM 325 OG1 THR A 615 -8.927 -7.693 3.218 1.00 0.44 O ATOM 326 CG2 THR A 615 -6.913 -8.877 3.826 1.00 0.42 C ATOM 0 H THR A 615 -8.558 -5.423 2.759 1.00 0.15 H new ATOM 0 HA THR A 615 -5.972 -6.614 3.517 1.00 0.16 H new ATOM 0 HB THR A 615 -7.521 -8.348 1.847 1.00 0.20 H new ATOM 0 HG1 THR A 615 -9.402 -8.550 3.234 1.00 0.44 H new ATOM 0 HG21 THR A 615 -7.466 -9.816 3.831 1.00 0.42 H new ATOM 0 HG22 THR A 615 -5.882 -9.064 3.525 1.00 0.42 H new ATOM 0 HG23 THR A 615 -6.926 -8.443 4.826 1.00 0.42 H new ATOM 334 N LEU A 616 -4.938 -6.299 1.289 1.00 0.14 N ATOM 335 CA LEU A 616 -4.289 -6.080 0.000 1.00 0.16 C ATOM 336 C LEU A 616 -4.025 -7.402 -0.718 1.00 0.15 C ATOM 337 O LEU A 616 -3.465 -8.333 -0.141 1.00 0.18 O ATOM 338 CB LEU A 616 -2.978 -5.318 0.194 1.00 0.21 C ATOM 339 CG LEU A 616 -2.243 -4.955 -1.094 1.00 0.22 C ATOM 340 CD1 LEU A 616 -1.799 -3.500 -1.061 1.00 0.38 C ATOM 341 CD2 LEU A 616 -1.050 -5.874 -1.297 1.00 0.40 C ATOM 0 H LEU A 616 -4.293 -6.414 2.071 1.00 0.14 H new ATOM 0 HA LEU A 616 -4.961 -5.487 -0.620 1.00 0.16 H new ATOM 0 HB2 LEU A 616 -3.187 -4.401 0.745 1.00 0.21 H new ATOM 0 HB3 LEU A 616 -2.315 -5.920 0.815 1.00 0.21 H new ATOM 0 HG LEU A 616 -2.926 -5.085 -1.933 1.00 0.22 H new ATOM 0 HD11 LEU A 616 -1.277 -3.258 -1.987 1.00 0.38 H new ATOM 0 HD12 LEU A 616 -2.672 -2.855 -0.958 1.00 0.38 H new ATOM 0 HD13 LEU A 616 -1.130 -3.343 -0.215 1.00 0.38 H new ATOM 0 HD21 LEU A 616 -0.535 -5.604 -2.219 1.00 0.40 H new ATOM 0 HD22 LEU A 616 -0.365 -5.772 -0.456 1.00 0.40 H new ATOM 0 HD23 LEU A 616 -1.393 -6.907 -1.362 1.00 0.40 H new ATOM 353 N TYR A 617 -4.437 -7.473 -1.981 1.00 0.14 N ATOM 354 CA TYR A 617 -4.251 -8.676 -2.786 1.00 0.16 C ATOM 355 C TYR A 617 -3.017 -8.550 -3.673 1.00 0.21 C ATOM 356 O TYR A 617 -2.875 -7.586 -4.422 1.00 0.22 O ATOM 357 CB TYR A 617 -5.493 -8.935 -3.645 1.00 0.16 C ATOM 358 CG TYR A 617 -6.582 -9.695 -2.919 1.00 0.20 C ATOM 359 CD1 TYR A 617 -7.150 -9.193 -1.755 1.00 0.29 C ATOM 360 CD2 TYR A 617 -7.041 -10.915 -3.401 1.00 0.31 C ATOM 361 CE1 TYR A 617 -8.146 -9.885 -1.090 1.00 0.34 C ATOM 362 CE2 TYR A 617 -8.036 -11.612 -2.743 1.00 0.37 C ATOM 363 CZ TYR A 617 -8.582 -11.090 -1.580 1.00 0.34 C ATOM 364 OH TYR A 617 -9.576 -11.786 -0.933 1.00 0.43 O ATOM 0 H TYR A 617 -4.903 -6.709 -2.470 1.00 0.14 H new ATOM 0 HA TYR A 617 -4.104 -9.519 -2.111 1.00 0.16 H new ATOM 0 HB2 TYR A 617 -5.893 -7.981 -3.988 1.00 0.16 H new ATOM 0 HB3 TYR A 617 -5.200 -9.495 -4.533 1.00 0.16 H new ATOM 0 HD1 TYR A 617 -6.808 -8.247 -1.363 1.00 0.29 H new ATOM 0 HD2 TYR A 617 -6.613 -11.325 -4.304 1.00 0.31 H new ATOM 0 HE1 TYR A 617 -8.579 -9.478 -0.188 1.00 0.34 H new ATOM 0 HE2 TYR A 617 -8.386 -12.557 -3.132 1.00 0.37 H new ATOM 0 HH TYR A 617 -9.762 -12.617 -1.417 1.00 0.43 H new ATOM 374 N LYS A 618 -2.123 -9.531 -3.578 1.00 0.27 N ATOM 375 CA LYS A 618 -0.893 -9.532 -4.365 1.00 0.34 C ATOM 376 C LYS A 618 -1.179 -9.759 -5.848 1.00 0.33 C ATOM 377 O LYS A 618 -0.453 -9.262 -6.710 1.00 0.37 O ATOM 378 CB LYS A 618 0.060 -10.612 -3.849 1.00 0.44 C ATOM 379 CG LYS A 618 1.480 -10.114 -3.629 1.00 0.80 C ATOM 380 CD LYS A 618 1.692 -9.648 -2.199 1.00 1.13 C ATOM 381 CE LYS A 618 2.521 -8.375 -2.146 1.00 1.56 C ATOM 382 NZ LYS A 618 3.792 -8.505 -2.911 1.00 2.48 N ATOM 0 H LYS A 618 -2.228 -10.337 -2.962 1.00 0.27 H new ATOM 0 HA LYS A 618 -0.427 -8.553 -4.256 1.00 0.34 H new ATOM 0 HB2 LYS A 618 -0.327 -11.008 -2.910 1.00 0.44 H new ATOM 0 HB3 LYS A 618 0.079 -11.438 -4.560 1.00 0.44 H new ATOM 0 HG2 LYS A 618 2.186 -10.911 -3.861 1.00 0.80 H new ATOM 0 HG3 LYS A 618 1.689 -9.293 -4.315 1.00 0.80 H new ATOM 0 HD2 LYS A 618 0.726 -9.475 -1.725 1.00 1.13 H new ATOM 0 HD3 LYS A 618 2.191 -10.432 -1.630 1.00 1.13 H new ATOM 0 HE2 LYS A 618 1.939 -7.546 -2.549 1.00 1.56 H new ATOM 0 HE3 LYS A 618 2.746 -8.132 -1.108 1.00 1.56 H new ATOM 0 HZ1 LYS A 618 4.380 -7.662 -2.753 1.00 2.48 H new ATOM 0 HZ2 LYS A 618 4.305 -9.351 -2.590 1.00 2.48 H new ATOM 0 HZ3 LYS A 618 3.579 -8.593 -3.925 1.00 2.48 H new ATOM 396 N GLU A 619 -2.233 -10.515 -6.138 1.00 0.31 N ATOM 397 CA GLU A 619 -2.607 -10.812 -7.518 1.00 0.34 C ATOM 398 C GLU A 619 -2.871 -9.533 -8.311 1.00 0.30 C ATOM 399 O GLU A 619 -2.848 -9.542 -9.542 1.00 0.34 O ATOM 400 CB GLU A 619 -3.843 -11.714 -7.553 1.00 0.35 C ATOM 401 CG GLU A 619 -5.091 -11.062 -6.984 1.00 1.04 C ATOM 402 CD GLU A 619 -6.258 -12.026 -6.881 1.00 1.45 C ATOM 403 OE1 GLU A 619 -6.016 -13.230 -6.647 1.00 2.07 O ATOM 404 OE2 GLU A 619 -7.414 -11.579 -7.034 1.00 1.68 O ATOM 0 H GLU A 619 -2.844 -10.934 -5.437 1.00 0.31 H new ATOM 0 HA GLU A 619 -1.770 -11.333 -7.984 1.00 0.34 H new ATOM 0 HB2 GLU A 619 -4.036 -12.010 -8.584 1.00 0.35 H new ATOM 0 HB3 GLU A 619 -3.633 -12.625 -6.993 1.00 0.35 H new ATOM 0 HG2 GLU A 619 -4.868 -10.660 -5.996 1.00 1.04 H new ATOM 0 HG3 GLU A 619 -5.375 -10.219 -7.614 1.00 1.04 H new ATOM 411 N ARG A 620 -3.121 -8.438 -7.600 1.00 0.25 N ATOM 412 CA ARG A 620 -3.391 -7.156 -8.244 1.00 0.25 C ATOM 413 C ARG A 620 -2.378 -6.099 -7.806 1.00 0.27 C ATOM 414 O ARG A 620 -2.122 -5.137 -8.529 1.00 0.29 O ATOM 415 CB ARG A 620 -4.811 -6.687 -7.923 1.00 0.25 C ATOM 416 CG ARG A 620 -5.778 -6.840 -9.086 1.00 0.38 C ATOM 417 CD ARG A 620 -7.130 -7.359 -8.623 1.00 0.55 C ATOM 418 NE ARG A 620 -8.165 -7.169 -9.637 1.00 0.88 N ATOM 419 CZ ARG A 620 -8.600 -8.137 -10.439 1.00 0.95 C ATOM 420 NH1 ARG A 620 -8.101 -9.362 -10.337 1.00 1.77 N ATOM 421 NH2 ARG A 620 -9.538 -7.882 -11.340 1.00 1.17 N ATOM 0 H ARG A 620 -3.142 -8.412 -6.581 1.00 0.25 H new ATOM 0 HA ARG A 620 -3.298 -7.294 -9.321 1.00 0.25 H new ATOM 0 HB2 ARG A 620 -5.188 -7.252 -7.071 1.00 0.25 H new ATOM 0 HB3 ARG A 620 -4.780 -5.640 -7.622 1.00 0.25 H new ATOM 0 HG2 ARG A 620 -5.907 -5.878 -9.582 1.00 0.38 H new ATOM 0 HG3 ARG A 620 -5.357 -7.525 -9.823 1.00 0.38 H new ATOM 0 HD2 ARG A 620 -7.048 -8.419 -8.382 1.00 0.55 H new ATOM 0 HD3 ARG A 620 -7.421 -6.845 -7.707 1.00 0.55 H new ATOM 0 HE ARG A 620 -8.577 -6.241 -9.735 1.00 0.88 H new ATOM 0 HH11 ARG A 620 -7.382 -9.564 -9.642 1.00 1.77 H new ATOM 0 HH12 ARG A 620 -8.436 -10.102 -10.953 1.00 1.77 H new ATOM 0 HH21 ARG A 620 -9.927 -6.943 -11.419 1.00 1.17 H new ATOM 0 HH22 ARG A 620 -9.871 -8.625 -11.954 1.00 1.17 H new ATOM 435 N PHE A 621 -1.810 -6.286 -6.618 1.00 0.31 N ATOM 436 CA PHE A 621 -0.826 -5.349 -6.080 1.00 0.38 C ATOM 437 C PHE A 621 0.379 -5.228 -7.007 1.00 0.33 C ATOM 438 O PHE A 621 1.115 -4.241 -6.957 1.00 0.34 O ATOM 439 CB PHE A 621 -0.369 -5.787 -4.689 1.00 0.53 C ATOM 440 CG PHE A 621 0.582 -4.823 -4.038 1.00 0.75 C ATOM 441 CD1 PHE A 621 0.240 -3.488 -3.881 1.00 0.87 C ATOM 442 CD2 PHE A 621 1.818 -5.251 -3.583 1.00 0.96 C ATOM 443 CE1 PHE A 621 1.112 -2.601 -3.283 1.00 1.13 C ATOM 444 CE2 PHE A 621 2.696 -4.368 -2.982 1.00 1.21 C ATOM 445 CZ PHE A 621 2.342 -3.041 -2.833 1.00 1.27 C ATOM 0 H PHE A 621 -2.014 -7.078 -6.008 1.00 0.31 H new ATOM 0 HA PHE A 621 -1.305 -4.373 -6.004 1.00 0.38 H new ATOM 0 HB2 PHE A 621 -1.244 -5.909 -4.050 1.00 0.53 H new ATOM 0 HB3 PHE A 621 0.110 -6.763 -4.764 1.00 0.53 H new ATOM 0 HD1 PHE A 621 -0.720 -3.138 -4.231 1.00 0.87 H new ATOM 0 HD2 PHE A 621 2.100 -6.287 -3.699 1.00 0.96 H new ATOM 0 HE1 PHE A 621 0.833 -1.564 -3.167 1.00 1.13 H new ATOM 0 HE2 PHE A 621 3.656 -4.715 -2.630 1.00 1.21 H new ATOM 0 HZ PHE A 621 3.026 -2.348 -2.365 1.00 1.27 H new ATOM 455 N LYS A 622 0.573 -6.237 -7.851 1.00 0.33 N ATOM 456 CA LYS A 622 1.685 -6.247 -8.796 1.00 0.39 C ATOM 457 C LYS A 622 1.693 -4.971 -9.636 1.00 0.38 C ATOM 458 O LYS A 622 2.692 -4.638 -10.272 1.00 0.48 O ATOM 459 CB LYS A 622 1.584 -7.471 -9.707 1.00 0.48 C ATOM 460 CG LYS A 622 1.896 -8.783 -9.005 1.00 1.26 C ATOM 461 CD LYS A 622 3.367 -8.879 -8.639 1.00 2.09 C ATOM 462 CE LYS A 622 4.067 -9.971 -9.431 1.00 2.24 C ATOM 463 NZ LYS A 622 5.307 -9.472 -10.089 1.00 2.99 N ATOM 0 H LYS A 622 -0.027 -7.060 -7.900 1.00 0.33 H new ATOM 0 HA LYS A 622 2.617 -6.294 -8.232 1.00 0.39 H new ATOM 0 HB2 LYS A 622 0.577 -7.522 -10.122 1.00 0.48 H new ATOM 0 HB3 LYS A 622 2.269 -7.346 -10.546 1.00 0.48 H new ATOM 0 HG2 LYS A 622 1.289 -8.869 -8.104 1.00 1.26 H new ATOM 0 HG3 LYS A 622 1.625 -9.617 -9.652 1.00 1.26 H new ATOM 0 HD2 LYS A 622 3.853 -7.922 -8.828 1.00 2.09 H new ATOM 0 HD3 LYS A 622 3.465 -9.081 -7.572 1.00 2.09 H new ATOM 0 HE2 LYS A 622 4.316 -10.798 -8.767 1.00 2.24 H new ATOM 0 HE3 LYS A 622 3.387 -10.363 -10.187 1.00 2.24 H new ATOM 0 HZ1 LYS A 622 5.755 -10.247 -10.619 1.00 2.99 H new ATOM 0 HZ2 LYS A 622 5.066 -8.699 -10.742 1.00 2.99 H new ATOM 0 HZ3 LYS A 622 5.967 -9.121 -9.366 1.00 2.99 H new ATOM 477 N GLN A 623 0.568 -4.265 -9.624 1.00 0.35 N ATOM 478 CA GLN A 623 0.427 -3.024 -10.372 1.00 0.46 C ATOM 479 C GLN A 623 0.171 -1.848 -9.430 1.00 0.49 C ATOM 480 O GLN A 623 0.290 -0.687 -9.821 1.00 0.63 O ATOM 481 CB GLN A 623 -0.711 -3.153 -11.378 1.00 0.55 C ATOM 482 CG GLN A 623 -0.675 -4.460 -12.150 1.00 0.68 C ATOM 483 CD GLN A 623 -1.829 -4.595 -13.118 1.00 0.92 C ATOM 484 OE1 GLN A 623 -1.778 -4.090 -14.240 1.00 1.48 O ATOM 485 NE2 GLN A 623 -2.876 -5.282 -12.688 1.00 1.27 N ATOM 0 H GLN A 623 -0.265 -4.535 -9.100 1.00 0.35 H new ATOM 0 HA GLN A 623 1.357 -2.833 -10.907 1.00 0.46 H new ATOM 0 HB2 GLN A 623 -1.663 -3.073 -10.853 1.00 0.55 H new ATOM 0 HB3 GLN A 623 -0.664 -2.321 -12.081 1.00 0.55 H new ATOM 0 HG2 GLN A 623 0.264 -4.528 -12.699 1.00 0.68 H new ATOM 0 HG3 GLN A 623 -0.695 -5.293 -11.448 1.00 0.68 H new ATOM 0 HE21 GLN A 623 -2.873 -5.682 -11.750 1.00 1.27 H new ATOM 0 HE22 GLN A 623 -3.686 -5.411 -13.295 1.00 1.27 H new ATOM 494 N GLY A 624 -0.176 -2.165 -8.184 1.00 0.42 N ATOM 495 CA GLY A 624 -0.440 -1.136 -7.192 1.00 0.47 C ATOM 496 C GLY A 624 -1.650 -0.285 -7.529 1.00 0.66 C ATOM 497 O GLY A 624 -2.754 -0.801 -7.702 1.00 1.40 O ATOM 0 H GLY A 624 -0.279 -3.121 -7.843 1.00 0.42 H new ATOM 0 HA2 GLY A 624 -0.592 -1.606 -6.220 1.00 0.47 H new ATOM 0 HA3 GLY A 624 0.436 -0.493 -7.101 1.00 0.47 H new ATOM 501 N THR A 625 -1.439 1.027 -7.607 1.00 0.31 N ATOM 502 CA THR A 625 -2.514 1.972 -7.909 1.00 0.32 C ATOM 503 C THR A 625 -3.162 1.718 -9.270 1.00 0.34 C ATOM 504 O THR A 625 -4.096 2.423 -9.654 1.00 0.61 O ATOM 505 CB THR A 625 -2.008 3.425 -7.871 1.00 0.34 C ATOM 506 OG1 THR A 625 -1.222 3.700 -9.037 1.00 0.91 O ATOM 507 CG2 THR A 625 -1.177 3.675 -6.622 1.00 0.76 C ATOM 0 H THR A 625 -0.528 1.463 -7.464 1.00 0.31 H new ATOM 0 HA THR A 625 -3.265 1.817 -7.135 1.00 0.32 H new ATOM 0 HB THR A 625 -2.873 4.088 -7.852 1.00 0.34 H new ATOM 0 HG1 THR A 625 -0.905 4.627 -9.007 1.00 0.91 H new ATOM 0 HG21 THR A 625 -0.830 4.708 -6.617 1.00 0.76 H new ATOM 0 HG22 THR A 625 -1.786 3.492 -5.737 1.00 0.76 H new ATOM 0 HG23 THR A 625 -0.318 3.004 -6.616 1.00 0.76 H new ATOM 515 N SER A 626 -2.673 0.722 -10.002 1.00 0.37 N ATOM 516 CA SER A 626 -3.229 0.412 -11.315 1.00 0.37 C ATOM 517 C SER A 626 -4.345 -0.626 -11.212 1.00 0.31 C ATOM 518 O SER A 626 -4.929 -1.019 -12.222 1.00 0.31 O ATOM 519 CB SER A 626 -2.129 -0.094 -12.251 1.00 0.43 C ATOM 520 OG SER A 626 -1.443 0.985 -12.862 1.00 0.92 O ATOM 0 H SER A 626 -1.901 0.121 -9.713 1.00 0.37 H new ATOM 0 HA SER A 626 -3.653 1.329 -11.724 1.00 0.37 H new ATOM 0 HB2 SER A 626 -1.423 -0.707 -11.690 1.00 0.43 H new ATOM 0 HB3 SER A 626 -2.566 -0.733 -13.019 1.00 0.43 H new ATOM 0 HG SER A 626 -0.744 0.635 -13.454 1.00 0.92 H new ATOM 526 N LYS A 627 -4.642 -1.056 -9.987 1.00 0.30 N ATOM 527 CA LYS A 627 -5.694 -2.040 -9.751 1.00 0.31 C ATOM 528 C LYS A 627 -6.192 -1.978 -8.308 1.00 0.32 C ATOM 529 O LYS A 627 -5.501 -1.472 -7.424 1.00 0.47 O ATOM 530 CB LYS A 627 -5.187 -3.449 -10.063 1.00 0.36 C ATOM 531 CG LYS A 627 -5.361 -3.847 -11.518 1.00 0.41 C ATOM 532 CD LYS A 627 -6.826 -4.041 -11.875 1.00 0.86 C ATOM 533 CE LYS A 627 -7.329 -2.937 -12.792 1.00 1.24 C ATOM 534 NZ LYS A 627 -8.048 -3.482 -13.976 1.00 1.87 N ATOM 0 H LYS A 627 -4.168 -0.737 -9.142 1.00 0.30 H new ATOM 0 HA LYS A 627 -6.526 -1.803 -10.414 1.00 0.31 H new ATOM 0 HB2 LYS A 627 -4.131 -3.513 -9.801 1.00 0.36 H new ATOM 0 HB3 LYS A 627 -5.716 -4.165 -9.433 1.00 0.36 H new ATOM 0 HG2 LYS A 627 -4.928 -3.080 -12.160 1.00 0.41 H new ATOM 0 HG3 LYS A 627 -4.814 -4.770 -11.711 1.00 0.41 H new ATOM 0 HD2 LYS A 627 -6.958 -5.007 -12.362 1.00 0.86 H new ATOM 0 HD3 LYS A 627 -7.424 -4.059 -10.964 1.00 0.86 H new ATOM 0 HE2 LYS A 627 -7.995 -2.278 -12.235 1.00 1.24 H new ATOM 0 HE3 LYS A 627 -6.487 -2.331 -13.126 1.00 1.24 H new ATOM 0 HZ1 LYS A 627 -8.375 -2.697 -14.575 1.00 1.87 H new ATOM 0 HZ2 LYS A 627 -7.406 -4.091 -14.522 1.00 1.87 H new ATOM 0 HZ3 LYS A 627 -8.867 -4.039 -13.659 1.00 1.87 H new ATOM 548 N LYS A 628 -7.395 -2.497 -8.081 1.00 0.28 N ATOM 549 CA LYS A 628 -7.993 -2.502 -6.750 1.00 0.29 C ATOM 550 C LYS A 628 -7.780 -3.846 -6.059 1.00 0.28 C ATOM 551 O LYS A 628 -8.458 -4.825 -6.370 1.00 0.45 O ATOM 552 CB LYS A 628 -9.490 -2.199 -6.839 1.00 0.32 C ATOM 553 CG LYS A 628 -9.828 -1.082 -7.812 1.00 1.00 C ATOM 554 CD LYS A 628 -11.302 -0.716 -7.747 1.00 1.24 C ATOM 555 CE LYS A 628 -12.097 -1.421 -8.834 1.00 1.55 C ATOM 556 NZ LYS A 628 -13.561 -1.370 -8.573 1.00 2.32 N ATOM 0 H LYS A 628 -7.976 -2.921 -8.804 1.00 0.28 H new ATOM 0 HA LYS A 628 -7.504 -1.727 -6.160 1.00 0.29 H new ATOM 0 HB2 LYS A 628 -10.018 -3.104 -7.140 1.00 0.32 H new ATOM 0 HB3 LYS A 628 -9.857 -1.930 -5.849 1.00 0.32 H new ATOM 0 HG2 LYS A 628 -9.223 -0.204 -7.585 1.00 1.00 H new ATOM 0 HG3 LYS A 628 -9.573 -1.391 -8.826 1.00 1.00 H new ATOM 0 HD2 LYS A 628 -11.702 -0.984 -6.769 1.00 1.24 H new ATOM 0 HD3 LYS A 628 -11.416 0.363 -7.853 1.00 1.24 H new ATOM 0 HE2 LYS A 628 -11.884 -0.958 -9.798 1.00 1.55 H new ATOM 0 HE3 LYS A 628 -11.776 -2.461 -8.902 1.00 1.55 H new ATOM 0 HZ1 LYS A 628 -14.067 -1.862 -9.337 1.00 2.32 H new ATOM 0 HZ2 LYS A 628 -13.768 -1.834 -7.666 1.00 2.32 H new ATOM 0 HZ3 LYS A 628 -13.872 -0.378 -8.534 1.00 2.32 H new ATOM 570 N CYS A 629 -6.837 -3.888 -5.123 1.00 0.18 N ATOM 571 CA CYS A 629 -6.544 -5.117 -4.395 1.00 0.17 C ATOM 572 C CYS A 629 -6.833 -4.959 -2.905 1.00 0.16 C ATOM 573 O CYS A 629 -6.603 -5.878 -2.120 1.00 0.17 O ATOM 574 CB CYS A 629 -5.083 -5.516 -4.602 1.00 0.20 C ATOM 575 SG CYS A 629 -3.928 -4.126 -4.581 1.00 0.33 S ATOM 0 H CYS A 629 -6.265 -3.088 -4.852 1.00 0.18 H new ATOM 0 HA CYS A 629 -7.191 -5.902 -4.786 1.00 0.17 H new ATOM 0 HB2 CYS A 629 -4.797 -6.224 -3.824 1.00 0.20 H new ATOM 0 HB3 CYS A 629 -4.991 -6.036 -5.555 1.00 0.20 H new ATOM 0 HG CYS A 629 -3.457 -3.935 -5.778 1.00 0.33 H new ATOM 581 N ILE A 630 -7.339 -3.792 -2.520 1.00 0.16 N ATOM 582 CA ILE A 630 -7.656 -3.524 -1.121 1.00 0.18 C ATOM 583 C ILE A 630 -9.120 -3.824 -0.825 1.00 0.18 C ATOM 584 O ILE A 630 -10.017 -3.252 -1.439 1.00 0.21 O ATOM 585 CB ILE A 630 -7.348 -2.060 -0.748 1.00 0.21 C ATOM 586 CG1 ILE A 630 -5.839 -1.846 -0.653 1.00 0.22 C ATOM 587 CG2 ILE A 630 -8.024 -1.682 0.562 1.00 0.29 C ATOM 588 CD1 ILE A 630 -5.398 -0.454 -1.051 1.00 0.31 C ATOM 0 H ILE A 630 -7.538 -3.019 -3.155 1.00 0.16 H new ATOM 0 HA ILE A 630 -7.028 -4.180 -0.518 1.00 0.18 H new ATOM 0 HB ILE A 630 -7.744 -1.414 -1.532 1.00 0.21 H new ATOM 0 HG12 ILE A 630 -5.516 -2.042 0.370 1.00 0.22 H new ATOM 0 HG13 ILE A 630 -5.336 -2.573 -1.291 1.00 0.22 H new ATOM 0 HG21 ILE A 630 -7.793 -0.645 0.805 1.00 0.29 H new ATOM 0 HG22 ILE A 630 -9.103 -1.799 0.462 1.00 0.29 H new ATOM 0 HG23 ILE A 630 -7.661 -2.331 1.359 1.00 0.29 H new ATOM 0 HD11 ILE A 630 -4.315 -0.375 -0.959 1.00 0.31 H new ATOM 0 HD12 ILE A 630 -5.689 -0.261 -2.084 1.00 0.31 H new ATOM 0 HD13 ILE A 630 -5.872 0.279 -0.398 1.00 0.31 H new ATOM 600 N GLN A 631 -9.356 -4.718 0.128 1.00 0.23 N ATOM 601 CA GLN A 631 -10.712 -5.084 0.508 1.00 0.27 C ATOM 602 C GLN A 631 -11.161 -4.285 1.721 1.00 0.29 C ATOM 603 O GLN A 631 -10.606 -4.424 2.810 1.00 0.34 O ATOM 604 CB GLN A 631 -10.801 -6.579 0.808 1.00 0.35 C ATOM 605 CG GLN A 631 -12.197 -7.034 1.197 1.00 0.41 C ATOM 606 CD GLN A 631 -12.284 -8.532 1.410 1.00 0.60 C ATOM 607 OE1 GLN A 631 -11.743 -9.067 2.377 1.00 1.15 O ATOM 608 NE2 GLN A 631 -12.966 -9.217 0.500 1.00 0.77 N ATOM 0 H GLN A 631 -8.626 -5.202 0.650 1.00 0.23 H new ATOM 0 HA GLN A 631 -11.372 -4.854 -0.328 1.00 0.27 H new ATOM 0 HB2 GLN A 631 -10.476 -7.138 -0.069 1.00 0.35 H new ATOM 0 HB3 GLN A 631 -10.110 -6.822 1.615 1.00 0.35 H new ATOM 0 HG2 GLN A 631 -12.500 -6.523 2.111 1.00 0.41 H new ATOM 0 HG3 GLN A 631 -12.901 -6.740 0.418 1.00 0.41 H new ATOM 0 HE21 GLN A 631 -13.398 -8.731 -0.286 1.00 0.77 H new ATOM 0 HE22 GLN A 631 -13.058 -10.229 0.587 1.00 0.77 H new ATOM 617 N SER A 632 -12.171 -3.447 1.526 1.00 0.28 N ATOM 618 CA SER A 632 -12.696 -2.623 2.603 1.00 0.32 C ATOM 619 C SER A 632 -14.217 -2.680 2.640 1.00 0.56 C ATOM 620 O SER A 632 -14.850 -3.232 1.740 1.00 0.83 O ATOM 621 CB SER A 632 -12.233 -1.175 2.438 1.00 0.70 C ATOM 622 OG SER A 632 -12.046 -0.553 3.697 1.00 1.80 O ATOM 0 H SER A 632 -12.642 -3.321 0.630 1.00 0.28 H new ATOM 0 HA SER A 632 -12.313 -3.015 3.545 1.00 0.32 H new ATOM 0 HB2 SER A 632 -11.300 -1.150 1.874 1.00 0.70 H new ATOM 0 HB3 SER A 632 -12.970 -0.618 1.859 1.00 0.70 H new ATOM 0 HG SER A 632 -11.314 -0.996 4.175 1.00 1.80 H new ATOM 628 N GLU A 633 -14.783 -2.097 3.694 1.00 0.64 N ATOM 629 CA GLU A 633 -16.233 -2.049 3.896 1.00 1.06 C ATOM 630 C GLU A 633 -16.783 -3.397 4.361 1.00 0.49 C ATOM 631 O GLU A 633 -17.417 -3.475 5.415 1.00 0.75 O ATOM 632 CB GLU A 633 -16.948 -1.598 2.619 1.00 1.98 C ATOM 633 CG GLU A 633 -17.678 -0.273 2.767 1.00 3.00 C ATOM 634 CD GLU A 633 -18.834 -0.351 3.746 1.00 3.80 C ATOM 635 OE1 GLU A 633 -19.784 -1.120 3.481 1.00 4.41 O ATOM 636 OE2 GLU A 633 -18.790 0.354 4.775 1.00 4.19 O ATOM 0 H GLU A 633 -14.250 -1.643 4.435 1.00 0.64 H new ATOM 0 HA GLU A 633 -16.425 -1.319 4.682 1.00 1.06 H new ATOM 0 HB2 GLU A 633 -16.218 -1.513 1.814 1.00 1.98 H new ATOM 0 HB3 GLU A 633 -17.662 -2.366 2.322 1.00 1.98 H new ATOM 0 HG2 GLU A 633 -16.975 0.490 3.101 1.00 3.00 H new ATOM 0 HG3 GLU A 633 -18.052 0.042 1.793 1.00 3.00 H new ATOM 643 N ASP A 634 -16.529 -4.458 3.589 1.00 0.88 N ATOM 644 CA ASP A 634 -17.001 -5.796 3.953 1.00 1.65 C ATOM 645 C ASP A 634 -16.667 -6.833 2.881 1.00 1.62 C ATOM 646 O ASP A 634 -16.559 -8.023 3.181 1.00 2.47 O ATOM 647 CB ASP A 634 -18.515 -5.785 4.185 1.00 2.32 C ATOM 648 CG ASP A 634 -19.292 -5.496 2.917 1.00 2.83 C ATOM 649 OD1 ASP A 634 -19.526 -4.305 2.622 1.00 3.41 O ATOM 650 OD2 ASP A 634 -19.668 -6.460 2.218 1.00 3.09 O ATOM 0 H ASP A 634 -16.004 -4.417 2.716 1.00 0.88 H new ATOM 0 HA ASP A 634 -16.486 -6.075 4.872 1.00 1.65 H new ATOM 0 HB2 ASP A 634 -18.825 -6.750 4.586 1.00 2.32 H new ATOM 0 HB3 ASP A 634 -18.759 -5.034 4.936 1.00 2.32 H new ATOM 655 N LYS A 635 -16.512 -6.384 1.637 1.00 0.79 N ATOM 656 CA LYS A 635 -16.200 -7.293 0.533 1.00 0.77 C ATOM 657 C LYS A 635 -16.002 -6.536 -0.779 1.00 0.64 C ATOM 658 O LYS A 635 -16.071 -7.124 -1.858 1.00 0.91 O ATOM 659 CB LYS A 635 -17.319 -8.325 0.363 1.00 0.91 C ATOM 660 CG LYS A 635 -16.851 -9.647 -0.228 1.00 1.12 C ATOM 661 CD LYS A 635 -15.880 -10.367 0.696 1.00 1.39 C ATOM 662 CE LYS A 635 -16.577 -10.907 1.935 1.00 2.02 C ATOM 663 NZ LYS A 635 -17.769 -11.729 1.590 1.00 2.55 N ATOM 0 H LYS A 635 -16.596 -5.404 1.368 1.00 0.79 H new ATOM 0 HA LYS A 635 -15.267 -7.800 0.780 1.00 0.77 H new ATOM 0 HB2 LYS A 635 -17.777 -8.514 1.334 1.00 0.91 H new ATOM 0 HB3 LYS A 635 -18.094 -7.905 -0.279 1.00 0.91 H new ATOM 0 HG2 LYS A 635 -17.714 -10.286 -0.418 1.00 1.12 H new ATOM 0 HG3 LYS A 635 -16.371 -9.466 -1.190 1.00 1.12 H new ATOM 0 HD2 LYS A 635 -15.407 -11.188 0.158 1.00 1.39 H new ATOM 0 HD3 LYS A 635 -15.086 -9.682 0.994 1.00 1.39 H new ATOM 0 HE2 LYS A 635 -15.876 -11.510 2.512 1.00 2.02 H new ATOM 0 HE3 LYS A 635 -16.881 -10.076 2.571 1.00 2.02 H new ATOM 0 HZ1 LYS A 635 -17.842 -12.529 2.251 1.00 2.55 H new ATOM 0 HZ2 LYS A 635 -18.626 -11.144 1.658 1.00 2.55 H new ATOM 0 HZ3 LYS A 635 -17.673 -12.090 0.619 1.00 2.55 H new ATOM 677 N LYS A 636 -15.758 -5.234 -0.683 1.00 0.37 N ATOM 678 CA LYS A 636 -15.553 -4.408 -1.866 1.00 0.37 C ATOM 679 C LYS A 636 -14.079 -4.041 -2.018 1.00 0.31 C ATOM 680 O LYS A 636 -13.388 -3.798 -1.031 1.00 0.36 O ATOM 681 CB LYS A 636 -16.418 -3.145 -1.780 1.00 0.51 C ATOM 682 CG LYS A 636 -16.005 -2.050 -2.747 1.00 0.90 C ATOM 683 CD LYS A 636 -16.316 -2.427 -4.187 1.00 0.81 C ATOM 684 CE LYS A 636 -17.416 -1.553 -4.766 1.00 1.13 C ATOM 685 NZ LYS A 636 -16.866 -0.424 -5.565 1.00 1.60 N ATOM 0 H LYS A 636 -15.697 -4.729 0.201 1.00 0.37 H new ATOM 0 HA LYS A 636 -15.852 -4.978 -2.746 1.00 0.37 H new ATOM 0 HB2 LYS A 636 -17.457 -3.414 -1.973 1.00 0.51 H new ATOM 0 HB3 LYS A 636 -16.373 -2.754 -0.763 1.00 0.51 H new ATOM 0 HG2 LYS A 636 -16.523 -1.125 -2.493 1.00 0.90 H new ATOM 0 HG3 LYS A 636 -14.937 -1.856 -2.644 1.00 0.90 H new ATOM 0 HD2 LYS A 636 -15.415 -2.329 -4.793 1.00 0.81 H new ATOM 0 HD3 LYS A 636 -16.619 -3.473 -4.233 1.00 0.81 H new ATOM 0 HE2 LYS A 636 -18.068 -2.159 -5.395 1.00 1.13 H new ATOM 0 HE3 LYS A 636 -18.031 -1.159 -3.956 1.00 1.13 H new ATOM 0 HZ1 LYS A 636 -17.648 0.148 -5.942 1.00 1.60 H new ATOM 0 HZ2 LYS A 636 -16.264 0.169 -4.959 1.00 1.60 H new ATOM 0 HZ3 LYS A 636 -16.300 -0.799 -6.353 1.00 1.60 H new ATOM 699 N TRP A 637 -13.600 -4.013 -3.259 1.00 0.25 N ATOM 700 CA TRP A 637 -12.203 -3.689 -3.531 1.00 0.21 C ATOM 701 C TRP A 637 -12.041 -2.229 -3.951 1.00 0.22 C ATOM 702 O TRP A 637 -12.870 -1.684 -4.680 1.00 0.26 O ATOM 703 CB TRP A 637 -11.643 -4.613 -4.616 1.00 0.22 C ATOM 704 CG TRP A 637 -11.658 -6.067 -4.240 1.00 0.27 C ATOM 705 CD1 TRP A 637 -12.161 -6.620 -3.094 1.00 0.38 C ATOM 706 CD2 TRP A 637 -11.138 -7.155 -5.013 1.00 0.33 C ATOM 707 NE1 TRP A 637 -11.988 -7.982 -3.112 1.00 0.42 N ATOM 708 CE2 TRP A 637 -11.363 -8.335 -4.278 1.00 0.39 C ATOM 709 CE3 TRP A 637 -10.507 -7.247 -6.257 1.00 0.46 C ATOM 710 CZ2 TRP A 637 -10.978 -9.588 -4.746 1.00 0.49 C ATOM 711 CZ3 TRP A 637 -10.125 -8.491 -6.720 1.00 0.60 C ATOM 712 CH2 TRP A 637 -10.361 -9.648 -5.966 1.00 0.60 C ATOM 0 H TRP A 637 -14.157 -4.210 -4.090 1.00 0.25 H new ATOM 0 HA TRP A 637 -11.642 -3.840 -2.609 1.00 0.21 H new ATOM 0 HB2 TRP A 637 -12.222 -4.478 -5.530 1.00 0.22 H new ATOM 0 HB3 TRP A 637 -10.619 -4.316 -4.840 1.00 0.22 H new ATOM 0 HD1 TRP A 637 -12.626 -6.066 -2.292 1.00 0.38 H new ATOM 0 HE1 TRP A 637 -12.278 -8.626 -2.376 1.00 0.42 H new ATOM 0 HE3 TRP A 637 -10.321 -6.361 -6.846 1.00 0.46 H new ATOM 0 HZ2 TRP A 637 -11.160 -10.481 -4.167 1.00 0.49 H new ATOM 0 HZ3 TRP A 637 -9.636 -8.573 -7.679 1.00 0.60 H new ATOM 0 HH2 TRP A 637 -10.050 -10.606 -6.355 1.00 0.60 H new ATOM 723 N PHE A 638 -10.962 -1.608 -3.483 1.00 0.24 N ATOM 724 CA PHE A 638 -10.672 -0.214 -3.798 1.00 0.30 C ATOM 725 C PHE A 638 -9.238 -0.059 -4.293 1.00 0.27 C ATOM 726 O PHE A 638 -8.387 -0.911 -4.035 1.00 0.29 O ATOM 727 CB PHE A 638 -10.864 0.668 -2.562 1.00 0.41 C ATOM 728 CG PHE A 638 -12.294 0.848 -2.143 1.00 0.29 C ATOM 729 CD1 PHE A 638 -12.909 -0.079 -1.317 1.00 0.62 C ATOM 730 CD2 PHE A 638 -13.029 1.934 -2.589 1.00 0.76 C ATOM 731 CE1 PHE A 638 -14.229 0.076 -0.940 1.00 0.69 C ATOM 732 CE2 PHE A 638 -14.350 2.093 -2.217 1.00 0.87 C ATOM 733 CZ PHE A 638 -14.933 1.196 -1.347 1.00 0.59 C ATOM 0 H PHE A 638 -10.270 -2.053 -2.880 1.00 0.24 H new ATOM 0 HA PHE A 638 -11.363 0.098 -4.582 1.00 0.30 H new ATOM 0 HB2 PHE A 638 -10.307 0.234 -1.732 1.00 0.41 H new ATOM 0 HB3 PHE A 638 -10.430 1.648 -2.760 1.00 0.41 H new ATOM 0 HD1 PHE A 638 -12.350 -0.933 -0.964 1.00 0.62 H new ATOM 0 HD2 PHE A 638 -12.564 2.664 -3.235 1.00 0.76 H new ATOM 0 HE1 PHE A 638 -14.710 -0.674 -0.330 1.00 0.69 H new ATOM 0 HE2 PHE A 638 -14.926 2.919 -2.607 1.00 0.87 H new ATOM 0 HZ PHE A 638 -15.936 1.367 -0.984 1.00 0.59 H new ATOM 743 N THR A 639 -8.972 1.047 -4.978 1.00 0.25 N ATOM 744 CA THR A 639 -7.635 1.332 -5.480 1.00 0.25 C ATOM 745 C THR A 639 -6.897 2.226 -4.489 1.00 0.22 C ATOM 746 O THR A 639 -7.531 2.969 -3.746 1.00 0.21 O ATOM 747 CB THR A 639 -7.686 2.029 -6.854 1.00 0.30 C ATOM 748 OG1 THR A 639 -9.047 2.258 -7.236 1.00 0.37 O ATOM 749 CG2 THR A 639 -6.992 1.189 -7.915 1.00 0.39 C ATOM 0 H THR A 639 -9.666 1.761 -5.198 1.00 0.25 H new ATOM 0 HA THR A 639 -7.109 0.384 -5.596 1.00 0.25 H new ATOM 0 HB THR A 639 -7.165 2.983 -6.771 1.00 0.30 H new ATOM 0 HG1 THR A 639 -9.071 2.703 -8.109 1.00 0.37 H new ATOM 0 HG21 THR A 639 -7.042 1.702 -8.875 1.00 0.39 H new ATOM 0 HG22 THR A 639 -5.949 1.040 -7.636 1.00 0.39 H new ATOM 0 HG23 THR A 639 -7.488 0.221 -7.995 1.00 0.39 H new ATOM 757 N PRO A 640 -5.553 2.166 -4.446 1.00 0.23 N ATOM 758 CA PRO A 640 -4.759 2.982 -3.518 1.00 0.23 C ATOM 759 C PRO A 640 -5.201 4.446 -3.480 1.00 0.21 C ATOM 760 O PRO A 640 -4.941 5.155 -2.510 1.00 0.22 O ATOM 761 CB PRO A 640 -3.343 2.853 -4.071 1.00 0.27 C ATOM 762 CG PRO A 640 -3.323 1.504 -4.703 1.00 0.30 C ATOM 763 CD PRO A 640 -4.698 1.299 -5.280 1.00 0.27 C ATOM 0 HA PRO A 640 -4.864 2.645 -2.487 1.00 0.23 H new ATOM 0 HB2 PRO A 640 -3.125 3.637 -4.797 1.00 0.27 H new ATOM 0 HB3 PRO A 640 -2.597 2.934 -3.280 1.00 0.27 H new ATOM 0 HG2 PRO A 640 -2.561 1.448 -5.480 1.00 0.30 H new ATOM 0 HG3 PRO A 640 -3.088 0.732 -3.970 1.00 0.30 H new ATOM 0 HD2 PRO A 640 -4.739 1.585 -6.331 1.00 0.27 H new ATOM 0 HD3 PRO A 640 -5.006 0.255 -5.222 1.00 0.27 H new ATOM 771 N ARG A 641 -5.880 4.891 -4.535 1.00 0.20 N ATOM 772 CA ARG A 641 -6.366 6.266 -4.606 1.00 0.21 C ATOM 773 C ARG A 641 -7.767 6.368 -4.007 1.00 0.19 C ATOM 774 O ARG A 641 -8.055 7.276 -3.225 1.00 0.23 O ATOM 775 CB ARG A 641 -6.368 6.754 -6.060 1.00 0.25 C ATOM 776 CG ARG A 641 -7.398 7.839 -6.347 1.00 0.27 C ATOM 777 CD ARG A 641 -7.046 9.146 -5.653 1.00 0.62 C ATOM 778 NE ARG A 641 -7.780 10.278 -6.213 1.00 1.36 N ATOM 779 CZ ARG A 641 -7.199 11.389 -6.655 1.00 1.81 C ATOM 780 NH1 ARG A 641 -5.880 11.518 -6.604 1.00 2.09 N ATOM 781 NH2 ARG A 641 -7.937 12.374 -7.151 1.00 2.60 N ATOM 0 H ARG A 641 -6.105 4.321 -5.350 1.00 0.20 H new ATOM 0 HA ARG A 641 -5.697 6.902 -4.027 1.00 0.21 H new ATOM 0 HB2 ARG A 641 -5.377 7.134 -6.306 1.00 0.25 H new ATOM 0 HB3 ARG A 641 -6.557 5.905 -6.717 1.00 0.25 H new ATOM 0 HG2 ARG A 641 -7.463 8.004 -7.422 1.00 0.27 H new ATOM 0 HG3 ARG A 641 -8.381 7.504 -6.016 1.00 0.27 H new ATOM 0 HD2 ARG A 641 -7.266 9.062 -4.589 1.00 0.62 H new ATOM 0 HD3 ARG A 641 -5.975 9.328 -5.744 1.00 0.62 H new ATOM 0 HE ARG A 641 -8.796 10.212 -6.268 1.00 1.36 H new ATOM 0 HH11 ARG A 641 -5.308 10.763 -6.225 1.00 2.09 H new ATOM 0 HH12 ARG A 641 -5.438 12.372 -6.944 1.00 2.09 H new ATOM 0 HH21 ARG A 641 -8.952 12.279 -7.194 1.00 2.60 H new ATOM 0 HH22 ARG A 641 -7.490 13.226 -7.490 1.00 2.60 H new ATOM 795 N GLU A 642 -8.632 5.427 -4.374 1.00 0.20 N ATOM 796 CA GLU A 642 -10.001 5.404 -3.868 1.00 0.23 C ATOM 797 C GLU A 642 -10.010 5.108 -2.372 1.00 0.23 C ATOM 798 O GLU A 642 -10.949 5.459 -1.659 1.00 0.26 O ATOM 799 CB GLU A 642 -10.827 4.356 -4.616 1.00 0.26 C ATOM 800 CG GLU A 642 -11.346 4.840 -5.960 1.00 0.63 C ATOM 801 CD GLU A 642 -12.820 5.193 -5.925 1.00 0.89 C ATOM 802 OE1 GLU A 642 -13.245 5.876 -4.969 1.00 1.60 O ATOM 803 OE2 GLU A 642 -13.551 4.785 -6.852 1.00 1.33 O ATOM 0 H GLU A 642 -8.409 4.670 -5.020 1.00 0.20 H new ATOM 0 HA GLU A 642 -10.446 6.385 -4.033 1.00 0.23 H new ATOM 0 HB2 GLU A 642 -10.217 3.466 -4.770 1.00 0.26 H new ATOM 0 HB3 GLU A 642 -11.672 4.059 -3.995 1.00 0.26 H new ATOM 0 HG2 GLU A 642 -10.775 5.714 -6.272 1.00 0.63 H new ATOM 0 HG3 GLU A 642 -11.180 4.066 -6.709 1.00 0.63 H new ATOM 810 N PHE A 643 -8.944 4.464 -1.911 1.00 0.22 N ATOM 811 CA PHE A 643 -8.798 4.116 -0.505 1.00 0.23 C ATOM 812 C PHE A 643 -8.384 5.341 0.295 1.00 0.23 C ATOM 813 O PHE A 643 -8.837 5.542 1.421 1.00 0.25 O ATOM 814 CB PHE A 643 -7.759 3.005 -0.341 1.00 0.24 C ATOM 815 CG PHE A 643 -7.952 2.167 0.892 1.00 0.21 C ATOM 816 CD1 PHE A 643 -9.219 1.778 1.297 1.00 0.26 C ATOM 817 CD2 PHE A 643 -6.861 1.767 1.645 1.00 0.27 C ATOM 818 CE1 PHE A 643 -9.394 1.006 2.429 1.00 0.35 C ATOM 819 CE2 PHE A 643 -7.028 0.996 2.778 1.00 0.33 C ATOM 820 CZ PHE A 643 -8.296 0.614 3.171 1.00 0.37 C ATOM 0 H PHE A 643 -8.163 4.171 -2.497 1.00 0.22 H new ATOM 0 HA PHE A 643 -9.757 3.757 -0.130 1.00 0.23 H new ATOM 0 HB2 PHE A 643 -7.793 2.358 -1.217 1.00 0.24 H new ATOM 0 HB3 PHE A 643 -6.765 3.452 -0.313 1.00 0.24 H new ATOM 0 HD1 PHE A 643 -10.080 2.082 0.720 1.00 0.26 H new ATOM 0 HD2 PHE A 643 -5.867 2.062 1.342 1.00 0.27 H new ATOM 0 HE1 PHE A 643 -10.387 0.709 2.734 1.00 0.35 H new ATOM 0 HE2 PHE A 643 -6.168 0.692 3.356 1.00 0.33 H new ATOM 0 HZ PHE A 643 -8.429 0.010 4.056 1.00 0.37 H new ATOM 830 N GLU A 644 -7.532 6.165 -0.306 1.00 0.22 N ATOM 831 CA GLU A 644 -7.069 7.385 0.338 1.00 0.24 C ATOM 832 C GLU A 644 -8.246 8.329 0.541 1.00 0.26 C ATOM 833 O GLU A 644 -8.318 9.055 1.532 1.00 0.29 O ATOM 834 CB GLU A 644 -5.987 8.057 -0.512 1.00 0.25 C ATOM 835 CG GLU A 644 -5.706 9.500 -0.124 1.00 0.33 C ATOM 836 CD GLU A 644 -6.372 10.497 -1.053 1.00 0.65 C ATOM 837 OE1 GLU A 644 -7.198 10.072 -1.888 1.00 1.01 O ATOM 838 OE2 GLU A 644 -6.065 11.703 -0.948 1.00 1.39 O ATOM 0 H GLU A 644 -7.149 6.008 -1.238 1.00 0.22 H new ATOM 0 HA GLU A 644 -6.637 7.138 1.308 1.00 0.24 H new ATOM 0 HB2 GLU A 644 -5.064 7.482 -0.429 1.00 0.25 H new ATOM 0 HB3 GLU A 644 -6.289 8.025 -1.559 1.00 0.25 H new ATOM 0 HG2 GLU A 644 -6.052 9.672 0.895 1.00 0.33 H new ATOM 0 HG3 GLU A 644 -4.629 9.670 -0.127 1.00 0.33 H new ATOM 845 N ILE A 645 -9.174 8.296 -0.411 1.00 0.27 N ATOM 846 CA ILE A 645 -10.366 9.130 -0.357 1.00 0.31 C ATOM 847 C ILE A 645 -11.272 8.706 0.798 1.00 0.31 C ATOM 848 O ILE A 645 -11.817 9.547 1.514 1.00 0.35 O ATOM 849 CB ILE A 645 -11.149 9.052 -1.685 1.00 0.36 C ATOM 850 CG1 ILE A 645 -10.438 9.866 -2.767 1.00 0.44 C ATOM 851 CG2 ILE A 645 -12.579 9.539 -1.507 1.00 0.43 C ATOM 852 CD1 ILE A 645 -10.507 9.236 -4.141 1.00 0.51 C ATOM 0 H ILE A 645 -9.120 7.695 -1.234 1.00 0.27 H new ATOM 0 HA ILE A 645 -10.045 10.159 -0.195 1.00 0.31 H new ATOM 0 HB ILE A 645 -11.186 8.008 -1.997 1.00 0.36 H new ATOM 0 HG12 ILE A 645 -10.880 10.862 -2.810 1.00 0.44 H new ATOM 0 HG13 ILE A 645 -9.392 9.993 -2.487 1.00 0.44 H new ATOM 0 HG21 ILE A 645 -13.107 9.473 -2.458 1.00 0.43 H new ATOM 0 HG22 ILE A 645 -13.085 8.919 -0.767 1.00 0.43 H new ATOM 0 HG23 ILE A 645 -12.571 10.575 -1.168 1.00 0.43 H new ATOM 0 HD11 ILE A 645 -9.982 9.868 -4.858 1.00 0.51 H new ATOM 0 HD12 ILE A 645 -10.039 8.252 -4.114 1.00 0.51 H new ATOM 0 HD13 ILE A 645 -11.549 9.134 -4.443 1.00 0.51 H new ATOM 864 N GLU A 646 -11.424 7.396 0.976 1.00 0.30 N ATOM 865 CA GLU A 646 -12.261 6.858 2.044 1.00 0.33 C ATOM 866 C GLU A 646 -11.558 6.966 3.393 1.00 0.27 C ATOM 867 O GLU A 646 -12.204 7.102 4.432 1.00 0.29 O ATOM 868 CB GLU A 646 -12.613 5.399 1.757 1.00 0.41 C ATOM 869 CG GLU A 646 -13.950 4.974 2.342 1.00 0.70 C ATOM 870 CD GLU A 646 -15.125 5.654 1.668 1.00 1.38 C ATOM 871 OE1 GLU A 646 -15.013 5.983 0.467 1.00 1.99 O ATOM 872 OE2 GLU A 646 -16.159 5.859 2.338 1.00 1.90 O ATOM 0 H GLU A 646 -10.978 6.687 0.394 1.00 0.30 H new ATOM 0 HA GLU A 646 -13.178 7.446 2.084 1.00 0.33 H new ATOM 0 HB2 GLU A 646 -12.631 5.243 0.678 1.00 0.41 H new ATOM 0 HB3 GLU A 646 -11.829 4.758 2.159 1.00 0.41 H new ATOM 0 HG2 GLU A 646 -14.057 3.893 2.246 1.00 0.70 H new ATOM 0 HG3 GLU A 646 -13.965 5.203 3.408 1.00 0.70 H new ATOM 879 N GLY A 647 -10.231 6.911 3.367 1.00 0.23 N ATOM 880 CA GLY A 647 -9.456 7.009 4.588 1.00 0.25 C ATOM 881 C GLY A 647 -9.154 8.446 4.953 1.00 0.28 C ATOM 882 O GLY A 647 -8.510 8.719 5.967 1.00 0.65 O ATOM 0 H GLY A 647 -9.677 6.800 2.518 1.00 0.23 H new ATOM 0 HA2 GLY A 647 -10.002 6.535 5.403 1.00 0.25 H new ATOM 0 HA3 GLY A 647 -8.521 6.461 4.469 1.00 0.25 H new ATOM 886 N ASP A 648 -9.624 9.365 4.119 1.00 0.46 N ATOM 887 CA ASP A 648 -9.409 10.790 4.342 1.00 0.53 C ATOM 888 C ASP A 648 -10.485 11.614 3.643 1.00 0.61 C ATOM 889 O ASP A 648 -11.455 12.042 4.271 1.00 1.12 O ATOM 890 CB ASP A 648 -8.025 11.205 3.839 1.00 0.61 C ATOM 891 CG ASP A 648 -7.412 12.311 4.674 1.00 1.01 C ATOM 892 OD1 ASP A 648 -7.788 13.485 4.472 1.00 1.46 O ATOM 893 OD2 ASP A 648 -6.555 12.004 5.529 1.00 1.40 O ATOM 0 H ASP A 648 -10.159 9.148 3.278 1.00 0.46 H new ATOM 0 HA ASP A 648 -9.468 10.979 5.414 1.00 0.53 H new ATOM 0 HB2 ASP A 648 -7.364 10.338 3.848 1.00 0.61 H new ATOM 0 HB3 ASP A 648 -8.103 11.536 2.803 1.00 0.61 H new ATOM 898 N ARG A 649 -10.308 11.827 2.340 1.00 0.57 N ATOM 899 CA ARG A 649 -11.262 12.599 1.549 1.00 0.66 C ATOM 900 C ARG A 649 -10.832 12.670 0.089 1.00 0.72 C ATOM 901 O ARG A 649 -11.669 12.731 -0.813 1.00 0.89 O ATOM 902 CB ARG A 649 -11.405 14.014 2.112 1.00 0.76 C ATOM 903 CG ARG A 649 -12.700 14.699 1.712 1.00 0.97 C ATOM 904 CD ARG A 649 -13.875 14.185 2.527 1.00 1.41 C ATOM 905 NE ARG A 649 -14.544 15.257 3.257 1.00 1.88 N ATOM 906 CZ ARG A 649 -15.311 16.177 2.679 1.00 2.63 C ATOM 907 NH1 ARG A 649 -15.506 16.153 1.367 1.00 2.98 N ATOM 908 NH2 ARG A 649 -15.883 17.122 3.412 1.00 3.19 N ATOM 0 H ARG A 649 -9.511 11.475 1.810 1.00 0.57 H new ATOM 0 HA ARG A 649 -12.225 12.092 1.604 1.00 0.66 H new ATOM 0 HB2 ARG A 649 -11.347 13.971 3.200 1.00 0.76 H new ATOM 0 HB3 ARG A 649 -10.564 14.618 1.772 1.00 0.76 H new ATOM 0 HG2 ARG A 649 -12.602 15.776 1.852 1.00 0.97 H new ATOM 0 HG3 ARG A 649 -12.890 14.531 0.652 1.00 0.97 H new ATOM 0 HD2 ARG A 649 -14.590 13.696 1.865 1.00 1.41 H new ATOM 0 HD3 ARG A 649 -13.525 13.430 3.231 1.00 1.41 H new ATOM 0 HE ARG A 649 -14.416 15.303 4.268 1.00 1.88 H new ATOM 0 HH11 ARG A 649 -15.067 15.428 0.799 1.00 2.98 H new ATOM 0 HH12 ARG A 649 -16.095 16.860 0.926 1.00 2.98 H new ATOM 0 HH21 ARG A 649 -15.735 17.144 4.421 1.00 3.19 H new ATOM 0 HH22 ARG A 649 -16.471 17.827 2.967 1.00 3.19 H new ATOM 922 N GLY A 650 -9.524 12.675 -0.133 1.00 0.76 N ATOM 923 CA GLY A 650 -8.999 12.752 -1.482 1.00 0.89 C ATOM 924 C GLY A 650 -8.113 13.965 -1.671 1.00 0.90 C ATOM 925 O GLY A 650 -7.222 13.969 -2.522 1.00 1.02 O ATOM 0 H GLY A 650 -8.816 12.627 0.599 1.00 0.76 H new ATOM 0 HA2 GLY A 650 -8.431 11.849 -1.703 1.00 0.89 H new ATOM 0 HA3 GLY A 650 -9.825 12.791 -2.192 1.00 0.89 H new ATOM 929 N ALA A 651 -8.354 14.993 -0.864 1.00 0.85 N ATOM 930 CA ALA A 651 -7.571 16.218 -0.930 1.00 0.93 C ATOM 931 C ALA A 651 -6.137 15.966 -0.479 1.00 0.91 C ATOM 932 O ALA A 651 -5.242 16.770 -0.742 1.00 1.04 O ATOM 933 CB ALA A 651 -8.212 17.299 -0.075 1.00 0.99 C ATOM 0 H ALA A 651 -9.088 15.000 -0.155 1.00 0.85 H new ATOM 0 HA ALA A 651 -7.549 16.557 -1.966 1.00 0.93 H new ATOM 0 HB1 ALA A 651 -7.616 18.210 -0.133 1.00 0.99 H new ATOM 0 HB2 ALA A 651 -9.220 17.501 -0.438 1.00 0.99 H new ATOM 0 HB3 ALA A 651 -8.260 16.963 0.961 1.00 0.99 H new ATOM 939 N SER A 652 -5.928 14.842 0.201 1.00 0.82 N ATOM 940 CA SER A 652 -4.603 14.478 0.693 1.00 0.89 C ATOM 941 C SER A 652 -3.607 14.368 -0.459 1.00 1.07 C ATOM 942 O SER A 652 -2.403 14.537 -0.265 1.00 1.98 O ATOM 943 CB SER A 652 -4.662 13.153 1.457 1.00 0.80 C ATOM 944 OG SER A 652 -3.823 13.186 2.599 1.00 1.30 O ATOM 0 H SER A 652 -6.660 14.167 0.424 1.00 0.82 H new ATOM 0 HA SER A 652 -4.267 15.264 1.369 1.00 0.89 H new ATOM 0 HB2 SER A 652 -5.689 12.950 1.762 1.00 0.80 H new ATOM 0 HB3 SER A 652 -4.357 12.337 0.801 1.00 0.80 H new ATOM 0 HG SER A 652 -3.879 12.329 3.071 1.00 1.30 H new ATOM 950 N LYS A 653 -4.124 14.087 -1.653 1.00 0.61 N ATOM 951 CA LYS A 653 -3.295 13.954 -2.851 1.00 0.69 C ATOM 952 C LYS A 653 -2.341 12.764 -2.743 1.00 0.53 C ATOM 953 O LYS A 653 -2.597 11.704 -3.314 1.00 0.60 O ATOM 954 CB LYS A 653 -2.510 15.244 -3.108 1.00 0.94 C ATOM 955 CG LYS A 653 -2.169 15.466 -4.571 1.00 1.24 C ATOM 956 CD LYS A 653 -2.309 16.928 -4.961 1.00 1.67 C ATOM 957 CE LYS A 653 -0.979 17.518 -5.400 1.00 2.12 C ATOM 958 NZ LYS A 653 -0.883 17.628 -6.882 1.00 2.50 N ATOM 0 H LYS A 653 -5.121 13.946 -1.818 1.00 0.61 H new ATOM 0 HA LYS A 653 -3.961 13.773 -3.695 1.00 0.69 H new ATOM 0 HB2 LYS A 653 -3.092 16.092 -2.746 1.00 0.94 H new ATOM 0 HB3 LYS A 653 -1.587 15.220 -2.528 1.00 0.94 H new ATOM 0 HG2 LYS A 653 -1.149 15.134 -4.762 1.00 1.24 H new ATOM 0 HG3 LYS A 653 -2.824 14.858 -5.195 1.00 1.24 H new ATOM 0 HD2 LYS A 653 -3.034 17.022 -5.769 1.00 1.67 H new ATOM 0 HD3 LYS A 653 -2.698 17.495 -4.116 1.00 1.67 H new ATOM 0 HE2 LYS A 653 -0.854 18.505 -4.954 1.00 2.12 H new ATOM 0 HE3 LYS A 653 -0.165 16.895 -5.029 1.00 2.12 H new ATOM 0 HZ1 LYS A 653 0.038 18.035 -7.141 1.00 2.50 H new ATOM 0 HZ2 LYS A 653 -0.976 16.683 -7.307 1.00 2.50 H new ATOM 0 HZ3 LYS A 653 -1.644 18.243 -7.234 1.00 2.50 H new ATOM 972 N ASN A 654 -1.241 12.946 -2.016 1.00 0.43 N ATOM 973 CA ASN A 654 -0.254 11.884 -1.846 1.00 0.36 C ATOM 974 C ASN A 654 -0.866 10.663 -1.168 1.00 0.31 C ATOM 975 O ASN A 654 -1.181 10.693 0.022 1.00 0.36 O ATOM 976 CB ASN A 654 0.937 12.392 -1.031 1.00 0.46 C ATOM 977 CG ASN A 654 2.075 12.877 -1.908 1.00 0.85 C ATOM 978 OD1 ASN A 654 2.110 12.604 -3.108 1.00 1.63 O ATOM 979 ND2 ASN A 654 3.013 13.603 -1.311 1.00 1.50 N ATOM 0 H ASN A 654 -1.012 13.817 -1.537 1.00 0.43 H new ATOM 0 HA ASN A 654 0.090 11.586 -2.836 1.00 0.36 H new ATOM 0 HB2 ASN A 654 0.610 13.205 -0.383 1.00 0.46 H new ATOM 0 HB3 ASN A 654 1.297 11.593 -0.383 1.00 0.46 H new ATOM 0 HD21 ASN A 654 3.803 13.959 -1.850 1.00 1.50 H new ATOM 0 HD22 ASN A 654 2.944 13.805 -0.314 1.00 1.50 H new ATOM 986 N TRP A 655 -1.030 9.590 -1.936 1.00 0.29 N ATOM 987 CA TRP A 655 -1.600 8.352 -1.417 1.00 0.30 C ATOM 988 C TRP A 655 -0.515 7.472 -0.801 1.00 0.29 C ATOM 989 O TRP A 655 -0.801 6.594 0.012 1.00 0.32 O ATOM 990 CB TRP A 655 -2.317 7.586 -2.533 1.00 0.33 C ATOM 991 CG TRP A 655 -1.529 7.509 -3.808 1.00 0.34 C ATOM 992 CD1 TRP A 655 -1.689 8.288 -4.917 1.00 0.36 C ATOM 993 CD2 TRP A 655 -0.460 6.601 -4.104 1.00 0.37 C ATOM 994 NE1 TRP A 655 -0.782 7.924 -5.883 1.00 0.39 N ATOM 995 CE2 TRP A 655 -0.016 6.891 -5.408 1.00 0.40 C ATOM 996 CE3 TRP A 655 0.165 5.574 -3.393 1.00 0.40 C ATOM 997 CZ2 TRP A 655 1.025 6.190 -6.014 1.00 0.46 C ATOM 998 CZ3 TRP A 655 1.198 4.879 -3.993 1.00 0.46 C ATOM 999 CH2 TRP A 655 1.619 5.189 -5.292 1.00 0.49 C ATOM 0 H TRP A 655 -0.775 9.554 -2.923 1.00 0.29 H new ATOM 0 HA TRP A 655 -2.321 8.611 -0.642 1.00 0.30 H new ATOM 0 HB2 TRP A 655 -2.534 6.575 -2.188 1.00 0.33 H new ATOM 0 HB3 TRP A 655 -3.274 8.066 -2.735 1.00 0.33 H new ATOM 0 HD1 TRP A 655 -2.421 9.075 -5.020 1.00 0.36 H new ATOM 0 HE1 TRP A 655 -0.693 8.353 -6.804 1.00 0.39 H new ATOM 0 HE3 TRP A 655 -0.154 5.327 -2.391 1.00 0.40 H new ATOM 0 HZ2 TRP A 655 1.351 6.427 -7.016 1.00 0.46 H new ATOM 0 HZ3 TRP A 655 1.688 4.084 -3.451 1.00 0.46 H new ATOM 0 HH2 TRP A 655 2.429 4.627 -5.734 1.00 0.49 H new ATOM 1010 N LYS A 656 0.730 7.711 -1.203 1.00 0.28 N ATOM 1011 CA LYS A 656 1.861 6.936 -0.699 1.00 0.31 C ATOM 1012 C LYS A 656 2.048 7.142 0.798 1.00 0.25 C ATOM 1013 O LYS A 656 2.691 6.338 1.467 1.00 0.26 O ATOM 1014 CB LYS A 656 3.144 7.329 -1.433 1.00 0.43 C ATOM 1015 CG LYS A 656 2.931 7.690 -2.894 1.00 0.42 C ATOM 1016 CD LYS A 656 3.387 9.108 -3.192 1.00 0.81 C ATOM 1017 CE LYS A 656 4.229 9.169 -4.454 1.00 0.81 C ATOM 1018 NZ LYS A 656 4.249 10.536 -5.043 1.00 1.34 N ATOM 0 H LYS A 656 0.982 8.435 -1.876 1.00 0.28 H new ATOM 0 HA LYS A 656 1.647 5.883 -0.880 1.00 0.31 H new ATOM 0 HB2 LYS A 656 3.598 8.178 -0.922 1.00 0.43 H new ATOM 0 HB3 LYS A 656 3.853 6.503 -1.372 1.00 0.43 H new ATOM 0 HG2 LYS A 656 3.479 6.991 -3.526 1.00 0.42 H new ATOM 0 HG3 LYS A 656 1.875 7.586 -3.145 1.00 0.42 H new ATOM 0 HD2 LYS A 656 2.517 9.755 -3.302 1.00 0.81 H new ATOM 0 HD3 LYS A 656 3.964 9.490 -2.350 1.00 0.81 H new ATOM 0 HE2 LYS A 656 5.248 8.857 -4.226 1.00 0.81 H new ATOM 0 HE3 LYS A 656 3.836 8.464 -5.187 1.00 0.81 H new ATOM 0 HZ1 LYS A 656 4.834 10.535 -5.903 1.00 1.34 H new ATOM 0 HZ2 LYS A 656 3.279 10.824 -5.285 1.00 1.34 H new ATOM 0 HZ3 LYS A 656 4.647 11.205 -4.354 1.00 1.34 H new ATOM 1032 N LEU A 657 1.488 8.228 1.317 1.00 0.24 N ATOM 1033 CA LEU A 657 1.605 8.540 2.738 1.00 0.27 C ATOM 1034 C LEU A 657 0.250 8.471 3.439 1.00 0.26 C ATOM 1035 O LEU A 657 0.179 8.228 4.644 1.00 0.33 O ATOM 1036 CB LEU A 657 2.216 9.931 2.922 1.00 0.36 C ATOM 1037 CG LEU A 657 3.555 10.147 2.215 1.00 0.39 C ATOM 1038 CD1 LEU A 657 3.650 11.565 1.676 1.00 0.52 C ATOM 1039 CD2 LEU A 657 4.711 9.857 3.162 1.00 0.50 C ATOM 0 H LEU A 657 0.950 8.906 0.778 1.00 0.24 H new ATOM 0 HA LEU A 657 2.258 7.794 3.191 1.00 0.27 H new ATOM 0 HB2 LEU A 657 1.506 10.674 2.559 1.00 0.36 H new ATOM 0 HB3 LEU A 657 2.351 10.114 3.988 1.00 0.36 H new ATOM 0 HG LEU A 657 3.617 9.455 1.375 1.00 0.39 H new ATOM 0 HD11 LEU A 657 4.609 11.701 1.176 1.00 0.52 H new ATOM 0 HD12 LEU A 657 2.842 11.739 0.965 1.00 0.52 H new ATOM 0 HD13 LEU A 657 3.567 12.274 2.500 1.00 0.52 H new ATOM 0 HD21 LEU A 657 5.656 10.016 2.642 1.00 0.50 H new ATOM 0 HD22 LEU A 657 4.653 10.524 4.022 1.00 0.50 H new ATOM 0 HD23 LEU A 657 4.653 8.823 3.501 1.00 0.50 H new ATOM 1051 N SER A 658 -0.820 8.691 2.682 1.00 0.24 N ATOM 1052 CA SER A 658 -2.168 8.658 3.240 1.00 0.29 C ATOM 1053 C SER A 658 -2.542 7.251 3.698 1.00 0.25 C ATOM 1054 O SER A 658 -3.354 7.082 4.610 1.00 0.30 O ATOM 1055 CB SER A 658 -3.180 9.158 2.211 1.00 0.34 C ATOM 1056 OG SER A 658 -4.462 9.319 2.794 1.00 1.18 O ATOM 0 H SER A 658 -0.781 8.894 1.683 1.00 0.24 H new ATOM 0 HA SER A 658 -2.187 9.316 4.109 1.00 0.29 H new ATOM 0 HB2 SER A 658 -2.843 10.108 1.797 1.00 0.34 H new ATOM 0 HB3 SER A 658 -3.240 8.453 1.382 1.00 0.34 H new ATOM 0 HG SER A 658 -4.743 10.254 2.713 1.00 1.18 H new ATOM 1062 N ILE A 659 -1.951 6.244 3.061 1.00 0.18 N ATOM 1063 CA ILE A 659 -2.232 4.853 3.408 1.00 0.15 C ATOM 1064 C ILE A 659 -1.005 4.174 4.006 1.00 0.13 C ATOM 1065 O ILE A 659 0.119 4.401 3.564 1.00 0.13 O ATOM 1066 CB ILE A 659 -2.696 4.047 2.180 1.00 0.17 C ATOM 1067 CG1 ILE A 659 -3.784 4.812 1.423 1.00 0.20 C ATOM 1068 CG2 ILE A 659 -3.199 2.675 2.610 1.00 0.18 C ATOM 1069 CD1 ILE A 659 -4.316 4.074 0.212 1.00 0.27 C ATOM 0 H ILE A 659 -1.277 6.364 2.305 1.00 0.18 H new ATOM 0 HA ILE A 659 -3.033 4.872 4.147 1.00 0.15 H new ATOM 0 HB ILE A 659 -1.848 3.907 1.510 1.00 0.17 H new ATOM 0 HG12 ILE A 659 -4.610 5.019 2.103 1.00 0.20 H new ATOM 0 HG13 ILE A 659 -3.384 5.775 1.104 1.00 0.20 H new ATOM 0 HG21 ILE A 659 -3.524 2.115 1.733 1.00 0.18 H new ATOM 0 HG22 ILE A 659 -2.396 2.133 3.109 1.00 0.18 H new ATOM 0 HG23 ILE A 659 -4.038 2.794 3.296 1.00 0.18 H new ATOM 0 HD11 ILE A 659 -5.083 4.677 -0.274 1.00 0.27 H new ATOM 0 HD12 ILE A 659 -3.502 3.890 -0.489 1.00 0.27 H new ATOM 0 HD13 ILE A 659 -4.747 3.123 0.526 1.00 0.27 H new ATOM 1081 N ARG A 660 -1.234 3.336 5.012 1.00 0.17 N ATOM 1082 CA ARG A 660 -0.154 2.613 5.677 1.00 0.17 C ATOM 1083 C ARG A 660 -0.266 1.116 5.410 1.00 0.20 C ATOM 1084 O ARG A 660 -1.292 0.640 4.925 1.00 0.20 O ATOM 1085 CB ARG A 660 -0.179 2.882 7.186 1.00 0.19 C ATOM 1086 CG ARG A 660 -0.864 4.186 7.563 1.00 0.18 C ATOM 1087 CD ARG A 660 -0.496 4.624 8.972 1.00 0.32 C ATOM 1088 NE ARG A 660 -1.631 5.218 9.673 1.00 0.66 N ATOM 1089 CZ ARG A 660 -1.948 6.509 9.609 1.00 1.09 C ATOM 1090 NH1 ARG A 660 -1.211 7.341 8.885 1.00 1.74 N ATOM 1091 NH2 ARG A 660 -3.003 6.967 10.270 1.00 1.43 N ATOM 0 H ARG A 660 -2.162 3.140 5.386 1.00 0.17 H new ATOM 0 HA ARG A 660 0.794 2.968 5.273 1.00 0.17 H new ATOM 0 HB2 ARG A 660 -0.688 2.057 7.685 1.00 0.19 H new ATOM 0 HB3 ARG A 660 0.845 2.898 7.560 1.00 0.19 H new ATOM 0 HG2 ARG A 660 -0.582 4.964 6.854 1.00 0.18 H new ATOM 0 HG3 ARG A 660 -1.945 4.065 7.490 1.00 0.18 H new ATOM 0 HD2 ARG A 660 -0.131 3.765 9.535 1.00 0.32 H new ATOM 0 HD3 ARG A 660 0.320 5.345 8.926 1.00 0.32 H new ATOM 0 HE ARG A 660 -2.215 4.608 10.245 1.00 0.66 H new ATOM 0 HH11 ARG A 660 -0.399 6.992 8.376 1.00 1.74 H new ATOM 0 HH12 ARG A 660 -1.456 8.330 8.838 1.00 1.74 H new ATOM 0 HH21 ARG A 660 -3.572 6.330 10.828 1.00 1.43 H new ATOM 0 HH22 ARG A 660 -3.246 7.957 10.221 1.00 1.43 H new ATOM 1105 N CYS A 661 0.793 0.376 5.722 1.00 0.25 N ATOM 1106 CA CYS A 661 0.803 -1.067 5.510 1.00 0.29 C ATOM 1107 C CYS A 661 1.531 -1.783 6.641 1.00 0.33 C ATOM 1108 O CYS A 661 2.761 -1.837 6.665 1.00 0.36 O ATOM 1109 CB CYS A 661 1.470 -1.401 4.177 1.00 0.33 C ATOM 1110 SG CYS A 661 1.248 -3.117 3.651 1.00 1.57 S ATOM 0 H CYS A 661 1.653 0.751 6.122 1.00 0.25 H new ATOM 0 HA CYS A 661 -0.232 -1.410 5.493 1.00 0.29 H new ATOM 0 HB2 CYS A 661 1.070 -0.741 3.407 1.00 0.33 H new ATOM 0 HB3 CYS A 661 2.537 -1.191 4.254 1.00 0.33 H new ATOM 0 HG CYS A 661 0.289 -3.661 4.339 1.00 1.57 H new ATOM 1116 N GLY A 662 0.763 -2.334 7.578 1.00 0.36 N ATOM 1117 CA GLY A 662 1.350 -3.043 8.701 1.00 0.42 C ATOM 1118 C GLY A 662 2.277 -2.170 9.526 1.00 0.38 C ATOM 1119 O GLY A 662 2.915 -2.646 10.466 1.00 0.54 O ATOM 0 H GLY A 662 -0.256 -2.302 7.579 1.00 0.36 H new ATOM 0 HA2 GLY A 662 0.554 -3.425 9.340 1.00 0.42 H new ATOM 0 HA3 GLY A 662 1.904 -3.906 8.331 1.00 0.42 H new ATOM 1123 N GLY A 663 2.354 -0.889 9.174 1.00 0.34 N ATOM 1124 CA GLY A 663 3.212 0.028 9.897 1.00 0.29 C ATOM 1125 C GLY A 663 3.723 1.158 9.024 1.00 0.23 C ATOM 1126 O GLY A 663 3.492 2.331 9.319 1.00 0.27 O ATOM 0 H GLY A 663 1.836 -0.472 8.400 1.00 0.34 H new ATOM 0 HA2 GLY A 663 2.663 0.445 10.741 1.00 0.29 H new ATOM 0 HA3 GLY A 663 4.059 -0.520 10.308 1.00 0.29 H new ATOM 1130 N TYR A 664 4.422 0.808 7.947 1.00 0.20 N ATOM 1131 CA TYR A 664 4.965 1.805 7.035 1.00 0.17 C ATOM 1132 C TYR A 664 4.052 2.003 5.830 1.00 0.15 C ATOM 1133 O TYR A 664 3.491 1.045 5.298 1.00 0.17 O ATOM 1134 CB TYR A 664 6.364 1.391 6.572 1.00 0.22 C ATOM 1135 CG TYR A 664 7.416 1.500 7.654 1.00 0.31 C ATOM 1136 CD1 TYR A 664 7.834 2.741 8.118 1.00 0.45 C ATOM 1137 CD2 TYR A 664 7.990 0.363 8.209 1.00 0.48 C ATOM 1138 CE1 TYR A 664 8.795 2.845 9.106 1.00 0.59 C ATOM 1139 CE2 TYR A 664 8.950 0.459 9.197 1.00 0.61 C ATOM 1140 CZ TYR A 664 9.348 1.698 9.645 1.00 0.62 C ATOM 1141 OH TYR A 664 10.307 1.802 10.625 1.00 0.78 O ATOM 0 H TYR A 664 4.624 -0.157 7.687 1.00 0.20 H new ATOM 0 HA TYR A 664 5.031 2.752 7.570 1.00 0.17 H new ATOM 0 HB2 TYR A 664 6.329 0.363 6.213 1.00 0.22 H new ATOM 0 HB3 TYR A 664 6.657 2.014 5.727 1.00 0.22 H new ATOM 0 HD1 TYR A 664 7.401 3.638 7.700 1.00 0.45 H new ATOM 0 HD2 TYR A 664 7.680 -0.612 7.862 1.00 0.48 H new ATOM 0 HE1 TYR A 664 9.112 3.817 9.455 1.00 0.59 H new ATOM 0 HE2 TYR A 664 9.387 -0.435 9.617 1.00 0.61 H new ATOM 0 HH TYR A 664 10.593 0.906 10.899 1.00 0.78 H new ATOM 1151 N THR A 665 3.912 3.255 5.407 1.00 0.14 N ATOM 1152 CA THR A 665 3.071 3.595 4.265 1.00 0.14 C ATOM 1153 C THR A 665 3.696 3.104 2.964 1.00 0.16 C ATOM 1154 O THR A 665 4.865 2.723 2.942 1.00 0.23 O ATOM 1155 CB THR A 665 2.856 5.116 4.173 1.00 0.16 C ATOM 1156 OG1 THR A 665 4.070 5.757 3.766 1.00 0.21 O ATOM 1157 CG2 THR A 665 2.403 5.680 5.511 1.00 0.26 C ATOM 0 H THR A 665 4.373 4.055 5.841 1.00 0.14 H new ATOM 0 HA THR A 665 2.110 3.103 4.413 1.00 0.14 H new ATOM 0 HB THR A 665 2.078 5.308 3.434 1.00 0.16 H new ATOM 0 HG1 THR A 665 3.914 6.258 2.938 1.00 0.21 H new ATOM 0 HG21 THR A 665 2.257 6.757 5.422 1.00 0.26 H new ATOM 0 HG22 THR A 665 1.464 5.210 5.805 1.00 0.26 H new ATOM 0 HG23 THR A 665 3.162 5.478 6.267 1.00 0.26 H new ATOM 1165 N LEU A 666 2.922 3.122 1.877 1.00 0.16 N ATOM 1166 CA LEU A 666 3.429 2.681 0.579 1.00 0.19 C ATOM 1167 C LEU A 666 4.682 3.463 0.214 1.00 0.21 C ATOM 1168 O LEU A 666 5.549 2.965 -0.500 1.00 0.24 O ATOM 1169 CB LEU A 666 2.377 2.854 -0.524 1.00 0.21 C ATOM 1170 CG LEU A 666 1.231 1.834 -0.524 1.00 0.20 C ATOM 1171 CD1 LEU A 666 1.725 0.444 -0.144 1.00 0.20 C ATOM 1172 CD2 LEU A 666 0.141 2.285 0.429 1.00 0.25 C ATOM 0 H LEU A 666 1.951 3.434 1.870 1.00 0.16 H new ATOM 0 HA LEU A 666 3.668 1.621 0.660 1.00 0.19 H new ATOM 0 HB2 LEU A 666 1.949 3.853 -0.437 1.00 0.21 H new ATOM 0 HB3 LEU A 666 2.880 2.806 -1.490 1.00 0.21 H new ATOM 0 HG LEU A 666 0.825 1.777 -1.534 1.00 0.20 H new ATOM 0 HD11 LEU A 666 0.888 -0.255 -0.154 1.00 0.20 H new ATOM 0 HD12 LEU A 666 2.479 0.117 -0.860 1.00 0.20 H new ATOM 0 HD13 LEU A 666 2.162 0.473 0.854 1.00 0.20 H new ATOM 0 HD21 LEU A 666 -0.670 1.557 0.425 1.00 0.25 H new ATOM 0 HD22 LEU A 666 0.549 2.367 1.436 1.00 0.25 H new ATOM 0 HD23 LEU A 666 -0.241 3.255 0.112 1.00 0.25 H new ATOM 1184 N LYS A 667 4.767 4.691 0.717 1.00 0.20 N ATOM 1185 CA LYS A 667 5.917 5.545 0.455 1.00 0.23 C ATOM 1186 C LYS A 667 7.193 4.875 0.957 1.00 0.24 C ATOM 1187 O LYS A 667 8.221 4.877 0.279 1.00 0.29 O ATOM 1188 CB LYS A 667 5.735 6.904 1.136 1.00 0.25 C ATOM 1189 CG LYS A 667 6.871 7.878 0.871 1.00 0.42 C ATOM 1190 CD LYS A 667 6.837 8.400 -0.555 1.00 1.05 C ATOM 1191 CE LYS A 667 7.927 7.767 -1.405 1.00 1.68 C ATOM 1192 NZ LYS A 667 8.638 8.775 -2.238 1.00 2.05 N ATOM 0 H LYS A 667 4.052 5.115 1.308 1.00 0.20 H new ATOM 0 HA LYS A 667 5.999 5.700 -0.621 1.00 0.23 H new ATOM 0 HB2 LYS A 667 4.800 7.349 0.795 1.00 0.25 H new ATOM 0 HB3 LYS A 667 5.642 6.752 2.211 1.00 0.25 H new ATOM 0 HG2 LYS A 667 6.804 8.714 1.567 1.00 0.42 H new ATOM 0 HG3 LYS A 667 7.825 7.385 1.056 1.00 0.42 H new ATOM 0 HD2 LYS A 667 5.862 8.192 -0.997 1.00 1.05 H new ATOM 0 HD3 LYS A 667 6.960 9.483 -0.550 1.00 1.05 H new ATOM 0 HE2 LYS A 667 8.643 7.260 -0.758 1.00 1.68 H new ATOM 0 HE3 LYS A 667 7.488 7.007 -2.051 1.00 1.68 H new ATOM 0 HZ1 LYS A 667 9.373 8.303 -2.802 1.00 2.05 H new ATOM 0 HZ2 LYS A 667 7.959 9.241 -2.874 1.00 2.05 H new ATOM 0 HZ3 LYS A 667 9.079 9.487 -1.621 1.00 2.05 H new ATOM 1206 N VAL A 668 7.109 4.293 2.149 1.00 0.25 N ATOM 1207 CA VAL A 668 8.245 3.606 2.749 1.00 0.30 C ATOM 1208 C VAL A 668 8.380 2.193 2.193 1.00 0.30 C ATOM 1209 O VAL A 668 9.489 1.713 1.961 1.00 0.38 O ATOM 1210 CB VAL A 668 8.117 3.535 4.283 1.00 0.34 C ATOM 1211 CG1 VAL A 668 9.441 3.124 4.909 1.00 0.44 C ATOM 1212 CG2 VAL A 668 7.648 4.870 4.841 1.00 0.47 C ATOM 0 H VAL A 668 6.263 4.284 2.719 1.00 0.25 H new ATOM 0 HA VAL A 668 9.135 4.182 2.497 1.00 0.30 H new ATOM 0 HB VAL A 668 7.372 2.780 4.534 1.00 0.34 H new ATOM 0 HG11 VAL A 668 9.333 3.079 5.993 1.00 0.44 H new ATOM 0 HG12 VAL A 668 9.733 2.144 4.532 1.00 0.44 H new ATOM 0 HG13 VAL A 668 10.208 3.855 4.651 1.00 0.44 H new ATOM 0 HG21 VAL A 668 7.563 4.801 5.926 1.00 0.47 H new ATOM 0 HG22 VAL A 668 8.368 5.646 4.582 1.00 0.47 H new ATOM 0 HG23 VAL A 668 6.676 5.121 4.416 1.00 0.47 H new ATOM 1222 N LEU A 669 7.244 1.532 1.977 1.00 0.26 N ATOM 1223 CA LEU A 669 7.244 0.175 1.442 1.00 0.32 C ATOM 1224 C LEU A 669 7.829 0.166 0.036 1.00 0.38 C ATOM 1225 O LEU A 669 8.439 -0.816 -0.387 1.00 0.47 O ATOM 1226 CB LEU A 669 5.824 -0.393 1.425 1.00 0.36 C ATOM 1227 CG LEU A 669 5.556 -1.500 2.447 1.00 0.34 C ATOM 1228 CD1 LEU A 669 5.623 -0.949 3.864 1.00 0.36 C ATOM 1229 CD2 LEU A 669 4.203 -2.143 2.186 1.00 0.38 C ATOM 0 H LEU A 669 6.317 1.913 2.164 1.00 0.26 H new ATOM 0 HA LEU A 669 7.861 -0.452 2.086 1.00 0.32 H new ATOM 0 HB2 LEU A 669 5.121 0.421 1.602 1.00 0.36 H new ATOM 0 HB3 LEU A 669 5.617 -0.782 0.428 1.00 0.36 H new ATOM 0 HG LEU A 669 6.328 -2.262 2.342 1.00 0.34 H new ATOM 0 HD11 LEU A 669 5.430 -1.751 4.576 1.00 0.36 H new ATOM 0 HD12 LEU A 669 6.614 -0.533 4.046 1.00 0.36 H new ATOM 0 HD13 LEU A 669 4.873 -0.167 3.986 1.00 0.36 H new ATOM 0 HD21 LEU A 669 4.026 -2.929 2.920 1.00 0.38 H new ATOM 0 HD22 LEU A 669 3.420 -1.389 2.265 1.00 0.38 H new ATOM 0 HD23 LEU A 669 4.192 -2.573 1.185 1.00 0.38 H new ATOM 1241 N MET A 670 7.660 1.279 -0.672 1.00 0.36 N ATOM 1242 CA MET A 670 8.196 1.410 -2.020 1.00 0.44 C ATOM 1243 C MET A 670 9.637 1.898 -1.949 1.00 0.47 C ATOM 1244 O MET A 670 10.363 1.883 -2.942 1.00 0.55 O ATOM 1245 CB MET A 670 7.341 2.370 -2.854 1.00 0.48 C ATOM 1246 CG MET A 670 7.606 3.841 -2.570 1.00 0.45 C ATOM 1247 SD MET A 670 7.485 4.866 -4.049 1.00 0.71 S ATOM 1248 CE MET A 670 5.712 4.894 -4.299 1.00 0.70 C ATOM 0 H MET A 670 7.157 2.100 -0.335 1.00 0.36 H new ATOM 0 HA MET A 670 8.173 0.435 -2.507 1.00 0.44 H new ATOM 0 HB2 MET A 670 7.522 2.176 -3.911 1.00 0.48 H new ATOM 0 HB3 MET A 670 6.288 2.158 -2.667 1.00 0.48 H new ATOM 0 HG2 MET A 670 6.894 4.198 -1.826 1.00 0.45 H new ATOM 0 HG3 MET A 670 8.600 3.950 -2.137 1.00 0.45 H new ATOM 0 HE1 MET A 670 5.478 5.491 -5.180 1.00 0.70 H new ATOM 0 HE2 MET A 670 5.349 3.876 -4.444 1.00 0.70 H new ATOM 0 HE3 MET A 670 5.228 5.331 -3.426 1.00 0.70 H new ATOM 1258 N GLU A 671 10.035 2.323 -0.755 1.00 0.42 N ATOM 1259 CA GLU A 671 11.385 2.813 -0.516 1.00 0.47 C ATOM 1260 C GLU A 671 12.287 1.700 0.010 1.00 0.51 C ATOM 1261 O GLU A 671 13.509 1.772 -0.116 1.00 0.59 O ATOM 1262 CB GLU A 671 11.358 3.976 0.480 1.00 0.45 C ATOM 1263 CG GLU A 671 12.672 4.737 0.562 1.00 0.88 C ATOM 1264 CD GLU A 671 12.689 5.750 1.691 1.00 1.56 C ATOM 1265 OE1 GLU A 671 12.555 5.335 2.863 1.00 1.90 O ATOM 1266 OE2 GLU A 671 12.836 6.956 1.406 1.00 2.39 O ATOM 0 H GLU A 671 9.434 2.337 0.069 1.00 0.42 H new ATOM 0 HA GLU A 671 11.789 3.163 -1.466 1.00 0.47 H new ATOM 0 HB2 GLU A 671 10.564 4.667 0.197 1.00 0.45 H new ATOM 0 HB3 GLU A 671 11.108 3.591 1.469 1.00 0.45 H new ATOM 0 HG2 GLU A 671 13.489 4.030 0.701 1.00 0.88 H new ATOM 0 HG3 GLU A 671 12.851 5.249 -0.384 1.00 0.88 H new ATOM 1273 N ASN A 672 11.681 0.675 0.611 1.00 0.47 N ATOM 1274 CA ASN A 672 12.440 -0.437 1.164 1.00 0.53 C ATOM 1275 C ASN A 672 12.804 -1.447 0.079 1.00 0.60 C ATOM 1276 O ASN A 672 13.947 -1.479 -0.381 1.00 0.72 O ATOM 1277 CB ASN A 672 11.647 -1.119 2.287 1.00 0.50 C ATOM 1278 CG ASN A 672 11.236 -0.152 3.382 1.00 0.82 C ATOM 1279 OD1 ASN A 672 11.978 0.769 3.726 1.00 1.54 O ATOM 1280 ND2 ASN A 672 10.044 -0.360 3.936 1.00 0.62 N ATOM 0 H ASN A 672 10.670 0.596 0.725 1.00 0.47 H new ATOM 0 HA ASN A 672 13.366 -0.041 1.580 1.00 0.53 H new ATOM 0 HB2 ASN A 672 10.756 -1.585 1.866 1.00 0.50 H new ATOM 0 HB3 ASN A 672 12.250 -1.917 2.720 1.00 0.50 H new ATOM 0 HD21 ASN A 672 9.712 0.257 4.677 1.00 0.62 H new ATOM 0 HD22 ASN A 672 9.463 -1.136 3.619 1.00 0.62 H new ATOM 1287 N LYS A 673 11.824 -2.260 -0.328 1.00 0.59 N ATOM 1288 CA LYS A 673 12.027 -3.279 -1.367 1.00 0.69 C ATOM 1289 C LYS A 673 10.861 -4.268 -1.418 1.00 0.68 C ATOM 1290 O LYS A 673 11.022 -5.400 -1.875 1.00 0.95 O ATOM 1291 CB LYS A 673 13.328 -4.055 -1.124 1.00 0.87 C ATOM 1292 CG LYS A 673 13.290 -4.944 0.111 1.00 0.94 C ATOM 1293 CD LYS A 673 14.670 -5.483 0.451 1.00 1.46 C ATOM 1294 CE LYS A 673 15.437 -4.521 1.343 1.00 1.87 C ATOM 1295 NZ LYS A 673 16.444 -5.225 2.185 1.00 2.62 N ATOM 0 H LYS A 673 10.876 -2.233 0.048 1.00 0.59 H new ATOM 0 HA LYS A 673 12.087 -2.754 -2.320 1.00 0.69 H new ATOM 0 HB2 LYS A 673 13.542 -4.671 -1.998 1.00 0.87 H new ATOM 0 HB3 LYS A 673 14.150 -3.346 -1.025 1.00 0.87 H new ATOM 0 HG2 LYS A 673 12.901 -4.377 0.957 1.00 0.94 H new ATOM 0 HG3 LYS A 673 12.605 -5.775 -0.058 1.00 0.94 H new ATOM 0 HD2 LYS A 673 14.573 -6.446 0.951 1.00 1.46 H new ATOM 0 HD3 LYS A 673 15.231 -5.656 -0.467 1.00 1.46 H new ATOM 0 HE2 LYS A 673 15.938 -3.775 0.726 1.00 1.87 H new ATOM 0 HE3 LYS A 673 14.738 -3.986 1.985 1.00 1.87 H new ATOM 0 HZ1 LYS A 673 16.945 -4.533 2.778 1.00 2.62 H new ATOM 0 HZ2 LYS A 673 15.964 -5.919 2.793 1.00 2.62 H new ATOM 0 HZ3 LYS A 673 17.127 -5.715 1.573 1.00 2.62 H new ATOM 1309 N PHE A 674 9.693 -3.847 -0.941 1.00 0.67 N ATOM 1310 CA PHE A 674 8.521 -4.718 -0.932 1.00 0.75 C ATOM 1311 C PHE A 674 7.571 -4.392 -2.079 1.00 0.99 C ATOM 1312 O PHE A 674 6.766 -5.230 -2.486 1.00 1.51 O ATOM 1313 CB PHE A 674 7.783 -4.591 0.401 1.00 0.64 C ATOM 1314 CG PHE A 674 8.686 -4.702 1.598 1.00 0.66 C ATOM 1315 CD1 PHE A 674 9.501 -5.810 1.767 1.00 0.91 C ATOM 1316 CD2 PHE A 674 8.718 -3.701 2.557 1.00 0.70 C ATOM 1317 CE1 PHE A 674 10.331 -5.917 2.867 1.00 1.04 C ATOM 1318 CE2 PHE A 674 9.546 -3.802 3.659 1.00 0.85 C ATOM 1319 CZ PHE A 674 10.361 -4.903 3.810 1.00 0.97 C ATOM 0 H PHE A 674 9.533 -2.915 -0.558 1.00 0.67 H new ATOM 0 HA PHE A 674 8.869 -5.743 -1.062 1.00 0.75 H new ATOM 0 HB2 PHE A 674 7.268 -3.631 0.432 1.00 0.64 H new ATOM 0 HB3 PHE A 674 7.018 -5.365 0.459 1.00 0.64 H new ATOM 0 HD1 PHE A 674 9.487 -6.600 1.030 1.00 0.91 H new ATOM 0 HD2 PHE A 674 8.088 -2.831 2.441 1.00 0.70 H new ATOM 0 HE1 PHE A 674 10.955 -6.790 2.991 1.00 1.04 H new ATOM 0 HE2 PHE A 674 9.554 -3.018 4.402 1.00 0.85 H new ATOM 0 HZ PHE A 674 11.021 -4.975 4.662 1.00 0.97 H new ATOM 1329 N LEU A 675 7.664 -3.172 -2.591 1.00 0.81 N ATOM 1330 CA LEU A 675 6.808 -2.735 -3.685 1.00 1.08 C ATOM 1331 C LEU A 675 7.425 -3.078 -5.041 1.00 1.12 C ATOM 1332 O LEU A 675 8.635 -2.955 -5.230 1.00 1.50 O ATOM 1333 CB LEU A 675 6.565 -1.232 -3.582 1.00 1.55 C ATOM 1334 CG LEU A 675 5.107 -0.798 -3.706 1.00 2.59 C ATOM 1335 CD1 LEU A 675 4.555 -0.395 -2.348 1.00 3.52 C ATOM 1336 CD2 LEU A 675 4.982 0.348 -4.694 1.00 3.12 C ATOM 0 H LEU A 675 8.325 -2.467 -2.265 1.00 0.81 H new ATOM 0 HA LEU A 675 5.857 -3.261 -3.607 1.00 1.08 H new ATOM 0 HB2 LEU A 675 6.951 -0.883 -2.624 1.00 1.55 H new ATOM 0 HB3 LEU A 675 7.143 -0.733 -4.360 1.00 1.55 H new ATOM 0 HG LEU A 675 4.523 -1.640 -4.077 1.00 2.59 H new ATOM 0 HD11 LEU A 675 3.514 -0.088 -2.455 1.00 3.52 H new ATOM 0 HD12 LEU A 675 4.615 -1.242 -1.665 1.00 3.52 H new ATOM 0 HD13 LEU A 675 5.139 0.435 -1.950 1.00 3.52 H new ATOM 0 HD21 LEU A 675 3.937 0.648 -4.773 1.00 3.12 H new ATOM 0 HD22 LEU A 675 5.577 1.193 -4.348 1.00 3.12 H new ATOM 0 HD23 LEU A 675 5.342 0.027 -5.671 1.00 3.12 H new ATOM 1348 N PRO A 676 6.595 -3.517 -6.008 1.00 1.82 N ATOM 1349 CA PRO A 676 7.063 -3.880 -7.351 1.00 2.51 C ATOM 1350 C PRO A 676 7.476 -2.663 -8.174 1.00 2.17 C ATOM 1351 O PRO A 676 8.100 -2.797 -9.226 1.00 2.84 O ATOM 1352 CB PRO A 676 5.846 -4.562 -7.977 1.00 3.39 C ATOM 1353 CG PRO A 676 4.678 -3.963 -7.274 1.00 3.37 C ATOM 1354 CD PRO A 676 5.135 -3.694 -5.868 1.00 2.53 C ATOM 0 HA PRO A 676 7.952 -4.510 -7.316 1.00 2.51 H new ATOM 0 HB2 PRO A 676 5.798 -4.381 -9.051 1.00 3.39 H new ATOM 0 HB3 PRO A 676 5.881 -5.642 -7.838 1.00 3.39 H new ATOM 0 HG2 PRO A 676 4.358 -3.043 -7.763 1.00 3.37 H new ATOM 0 HG3 PRO A 676 3.826 -4.643 -7.284 1.00 3.37 H new ATOM 0 HD2 PRO A 676 4.661 -2.804 -5.455 1.00 2.53 H new ATOM 0 HD3 PRO A 676 4.893 -4.522 -5.202 1.00 2.53 H new ATOM 1362 N GLU A 677 7.119 -1.478 -7.686 1.00 1.51 N ATOM 1363 CA GLU A 677 7.448 -0.232 -8.372 1.00 1.48 C ATOM 1364 C GLU A 677 8.957 -0.108 -8.597 1.00 2.02 C ATOM 1365 O GLU A 677 9.747 -0.751 -7.905 1.00 2.46 O ATOM 1366 CB GLU A 677 6.941 0.964 -7.562 1.00 1.69 C ATOM 1367 CG GLU A 677 5.664 1.576 -8.115 1.00 2.11 C ATOM 1368 CD GLU A 677 5.341 2.917 -7.488 1.00 2.56 C ATOM 1369 OE1 GLU A 677 6.198 3.825 -7.552 1.00 3.15 O ATOM 1370 OE2 GLU A 677 4.230 3.062 -6.936 1.00 2.73 O ATOM 0 H GLU A 677 6.601 -1.354 -6.816 1.00 1.51 H new ATOM 0 HA GLU A 677 6.958 -0.242 -9.345 1.00 1.48 H new ATOM 0 HB2 GLU A 677 6.767 0.648 -6.533 1.00 1.69 H new ATOM 0 HB3 GLU A 677 7.718 1.728 -7.533 1.00 1.69 H new ATOM 0 HG2 GLU A 677 5.761 1.698 -9.194 1.00 2.11 H new ATOM 0 HG3 GLU A 677 4.834 0.890 -7.945 1.00 2.11 H new ATOM 1377 N PRO A 678 9.377 0.724 -9.573 1.00 2.63 N ATOM 1378 CA PRO A 678 10.798 0.930 -9.885 1.00 3.54 C ATOM 1379 C PRO A 678 11.633 1.238 -8.641 1.00 3.56 C ATOM 1380 O PRO A 678 11.085 1.552 -7.584 1.00 3.96 O ATOM 1381 CB PRO A 678 10.782 2.136 -10.826 1.00 4.28 C ATOM 1382 CG PRO A 678 9.444 2.089 -11.478 1.00 4.13 C ATOM 1383 CD PRO A 678 8.500 1.530 -10.450 1.00 3.01 C ATOM 0 HA PRO A 678 11.251 0.038 -10.316 1.00 3.54 H new ATOM 0 HB2 PRO A 678 10.923 3.068 -10.278 1.00 4.28 H new ATOM 0 HB3 PRO A 678 11.584 2.075 -11.562 1.00 4.28 H new ATOM 0 HG2 PRO A 678 9.130 3.083 -11.796 1.00 4.13 H new ATOM 0 HG3 PRO A 678 9.466 1.462 -12.369 1.00 4.13 H new ATOM 0 HD2 PRO A 678 7.997 2.322 -9.895 1.00 3.01 H new ATOM 0 HD3 PRO A 678 7.723 0.920 -10.910 1.00 3.01 H new ATOM 1391 N PRO A 679 12.976 1.151 -8.750 1.00 3.55 N ATOM 1392 CA PRO A 679 13.882 1.423 -7.628 1.00 3.99 C ATOM 1393 C PRO A 679 13.517 2.697 -6.873 1.00 3.99 C ATOM 1394 O PRO A 679 12.883 3.597 -7.423 1.00 4.37 O ATOM 1395 CB PRO A 679 15.240 1.574 -8.310 1.00 4.35 C ATOM 1396 CG PRO A 679 15.147 0.699 -9.511 1.00 4.18 C ATOM 1397 CD PRO A 679 13.717 0.782 -9.976 1.00 3.61 C ATOM 0 HA PRO A 679 13.848 0.636 -6.875 1.00 3.99 H new ATOM 0 HB2 PRO A 679 15.433 2.610 -8.587 1.00 4.35 H new ATOM 0 HB3 PRO A 679 16.052 1.263 -7.653 1.00 4.35 H new ATOM 0 HG2 PRO A 679 15.831 1.033 -10.291 1.00 4.18 H new ATOM 0 HG3 PRO A 679 15.419 -0.328 -9.267 1.00 4.18 H new ATOM 0 HD2 PRO A 679 13.593 1.529 -10.760 1.00 3.61 H new ATOM 0 HD3 PRO A 679 13.372 -0.168 -10.383 1.00 3.61 H new ATOM 1405 N SER A 680 13.915 2.760 -5.606 1.00 3.91 N ATOM 1406 CA SER A 680 13.623 3.918 -4.769 1.00 4.07 C ATOM 1407 C SER A 680 14.903 4.630 -4.343 1.00 4.49 C ATOM 1408 O SER A 680 15.647 4.125 -3.506 1.00 5.02 O ATOM 1409 CB SER A 680 12.835 3.484 -3.534 1.00 4.21 C ATOM 1410 OG SER A 680 13.240 2.198 -3.099 1.00 4.77 O ATOM 0 H SER A 680 14.441 2.022 -5.137 1.00 3.91 H new ATOM 0 HA SER A 680 13.025 4.616 -5.355 1.00 4.07 H new ATOM 0 HB2 SER A 680 12.983 4.207 -2.731 1.00 4.21 H new ATOM 0 HB3 SER A 680 11.769 3.475 -3.763 1.00 4.21 H new ATOM 0 HG SER A 680 12.448 1.656 -2.898 1.00 4.77 H new ATOM 1416 N THR A 681 15.132 5.811 -4.923 1.00 4.52 N ATOM 1417 CA THR A 681 16.310 6.636 -4.626 1.00 4.97 C ATOM 1418 C THR A 681 17.594 6.036 -5.196 1.00 4.98 C ATOM 1419 O THR A 681 18.319 6.707 -5.930 1.00 5.26 O ATOM 1420 CB THR A 681 16.495 6.887 -3.111 1.00 5.25 C ATOM 1421 OG1 THR A 681 17.188 5.789 -2.503 1.00 4.72 O ATOM 1422 CG2 THR A 681 15.155 7.096 -2.419 1.00 5.94 C ATOM 0 H THR A 681 14.505 6.225 -5.614 1.00 4.52 H new ATOM 0 HA THR A 681 16.119 7.592 -5.114 1.00 4.97 H new ATOM 0 HB THR A 681 17.088 7.795 -2.995 1.00 5.25 H new ATOM 0 HG1 THR A 681 16.606 5.001 -2.492 1.00 4.72 H new ATOM 0 HG21 THR A 681 15.318 7.270 -1.355 1.00 5.94 H new ATOM 0 HG22 THR A 681 14.651 7.959 -2.855 1.00 5.94 H new ATOM 0 HG23 THR A 681 14.535 6.209 -2.551 1.00 5.94 H new ATOM 1430 N ARG A 682 17.875 4.780 -4.854 1.00 5.05 N ATOM 1431 CA ARG A 682 19.077 4.100 -5.332 1.00 5.36 C ATOM 1432 C ARG A 682 20.338 4.770 -4.791 1.00 5.59 C ATOM 1433 O ARG A 682 20.277 5.860 -4.219 1.00 5.99 O ATOM 1434 CB ARG A 682 19.108 4.084 -6.864 1.00 5.82 C ATOM 1435 CG ARG A 682 19.493 2.738 -7.456 1.00 6.32 C ATOM 1436 CD ARG A 682 19.719 2.838 -8.957 1.00 7.07 C ATOM 1437 NE ARG A 682 20.872 2.055 -9.392 1.00 7.67 N ATOM 1438 CZ ARG A 682 20.967 1.481 -10.588 1.00 8.17 C ATOM 1439 NH1 ARG A 682 19.981 1.604 -11.468 1.00 8.15 N ATOM 1440 NH2 ARG A 682 22.050 0.786 -10.907 1.00 8.91 N ATOM 0 H ARG A 682 17.285 4.212 -4.246 1.00 5.05 H new ATOM 0 HA ARG A 682 19.050 3.074 -4.966 1.00 5.36 H new ATOM 0 HB2 ARG A 682 18.126 4.369 -7.241 1.00 5.82 H new ATOM 0 HB3 ARG A 682 19.814 4.839 -7.212 1.00 5.82 H new ATOM 0 HG2 ARG A 682 20.399 2.372 -6.973 1.00 6.32 H new ATOM 0 HG3 ARG A 682 18.707 2.011 -7.252 1.00 6.32 H new ATOM 0 HD2 ARG A 682 18.828 2.492 -9.481 1.00 7.07 H new ATOM 0 HD3 ARG A 682 19.866 3.882 -9.232 1.00 7.07 H new ATOM 0 HE ARG A 682 21.649 1.942 -8.741 1.00 7.67 H new ATOM 0 HH11 ARG A 682 19.147 2.140 -11.228 1.00 8.15 H new ATOM 0 HH12 ARG A 682 20.057 1.162 -12.384 1.00 8.15 H new ATOM 0 HH21 ARG A 682 22.811 0.691 -10.235 1.00 8.91 H new ATOM 0 HH22 ARG A 682 22.122 0.346 -11.824 1.00 8.91 H new ATOM 1454 N LYS A 683 21.481 4.110 -4.975 1.00 5.68 N ATOM 1455 CA LYS A 683 22.766 4.633 -4.509 1.00 6.16 C ATOM 1456 C LYS A 683 22.782 4.801 -2.991 1.00 6.08 C ATOM 1457 O LYS A 683 23.722 5.370 -2.432 1.00 6.38 O ATOM 1458 CB LYS A 683 23.071 5.973 -5.185 1.00 6.84 C ATOM 1459 CG LYS A 683 24.396 5.995 -5.929 1.00 7.51 C ATOM 1460 CD LYS A 683 25.569 6.170 -4.979 1.00 8.10 C ATOM 1461 CE LYS A 683 26.880 5.764 -5.632 1.00 8.80 C ATOM 1462 NZ LYS A 683 28.040 6.504 -5.060 1.00 9.15 N ATOM 0 H LYS A 683 21.544 3.207 -5.446 1.00 5.68 H new ATOM 0 HA LYS A 683 23.536 3.910 -4.779 1.00 6.16 H new ATOM 0 HB2 LYS A 683 22.268 6.208 -5.884 1.00 6.84 H new ATOM 0 HB3 LYS A 683 23.076 6.758 -4.429 1.00 6.84 H new ATOM 0 HG2 LYS A 683 24.515 5.067 -6.488 1.00 7.51 H new ATOM 0 HG3 LYS A 683 24.392 6.807 -6.656 1.00 7.51 H new ATOM 0 HD2 LYS A 683 25.627 7.210 -4.659 1.00 8.10 H new ATOM 0 HD3 LYS A 683 25.406 5.570 -4.084 1.00 8.10 H new ATOM 0 HE2 LYS A 683 27.033 4.693 -5.502 1.00 8.80 H new ATOM 0 HE3 LYS A 683 26.824 5.950 -6.705 1.00 8.80 H new ATOM 0 HZ1 LYS A 683 28.914 6.198 -5.533 1.00 9.15 H new ATOM 0 HZ2 LYS A 683 27.907 7.525 -5.206 1.00 9.15 H new ATOM 0 HZ3 LYS A 683 28.110 6.306 -4.041 1.00 9.15 H new ATOM 1476 N LYS A 684 21.739 4.303 -2.329 1.00 5.95 N ATOM 1477 CA LYS A 684 21.629 4.397 -0.876 1.00 6.06 C ATOM 1478 C LYS A 684 21.852 5.828 -0.397 1.00 5.78 C ATOM 1479 O LYS A 684 22.782 6.104 0.361 1.00 6.00 O ATOM 1480 CB LYS A 684 22.632 3.458 -0.200 1.00 6.68 C ATOM 1481 CG LYS A 684 22.271 3.119 1.237 1.00 7.27 C ATOM 1482 CD LYS A 684 21.528 1.795 1.329 1.00 8.09 C ATOM 1483 CE LYS A 684 20.816 1.646 2.665 1.00 8.81 C ATOM 1484 NZ LYS A 684 21.772 1.599 3.805 1.00 9.41 N ATOM 0 H LYS A 684 20.956 3.829 -2.779 1.00 5.95 H new ATOM 0 HA LYS A 684 20.618 4.097 -0.600 1.00 6.06 H new ATOM 0 HB2 LYS A 684 22.700 2.536 -0.777 1.00 6.68 H new ATOM 0 HB3 LYS A 684 23.619 3.919 -0.219 1.00 6.68 H new ATOM 0 HG2 LYS A 684 23.178 3.071 1.839 1.00 7.27 H new ATOM 0 HG3 LYS A 684 21.653 3.914 1.655 1.00 7.27 H new ATOM 0 HD2 LYS A 684 20.802 1.727 0.519 1.00 8.09 H new ATOM 0 HD3 LYS A 684 22.231 0.972 1.196 1.00 8.09 H new ATOM 0 HE2 LYS A 684 20.127 2.480 2.804 1.00 8.81 H new ATOM 0 HE3 LYS A 684 20.217 0.736 2.657 1.00 8.81 H new ATOM 0 HZ1 LYS A 684 21.247 1.463 4.693 1.00 9.41 H new ATOM 0 HZ2 LYS A 684 22.435 0.809 3.670 1.00 9.41 H new ATOM 0 HZ3 LYS A 684 22.303 2.492 3.850 1.00 9.41 H new ATOM 1498 N VAL A 685 20.991 6.737 -0.846 1.00 5.66 N ATOM 1499 CA VAL A 685 21.090 8.140 -0.462 1.00 5.70 C ATOM 1500 C VAL A 685 20.360 8.392 0.860 1.00 5.50 C ATOM 1501 O VAL A 685 19.705 9.419 1.045 1.00 5.70 O ATOM 1502 CB VAL A 685 20.526 9.058 -1.569 1.00 6.07 C ATOM 1503 CG1 VAL A 685 19.020 8.894 -1.699 1.00 6.54 C ATOM 1504 CG2 VAL A 685 20.896 10.513 -1.309 1.00 6.40 C ATOM 0 H VAL A 685 20.217 6.526 -1.476 1.00 5.66 H new ATOM 0 HA VAL A 685 22.146 8.376 -0.327 1.00 5.70 H new ATOM 0 HB VAL A 685 20.977 8.760 -2.515 1.00 6.07 H new ATOM 0 HG11 VAL A 685 18.649 9.552 -2.485 1.00 6.54 H new ATOM 0 HG12 VAL A 685 18.787 7.859 -1.951 1.00 6.54 H new ATOM 0 HG13 VAL A 685 18.543 9.153 -0.754 1.00 6.54 H new ATOM 0 HG21 VAL A 685 20.488 11.140 -2.102 1.00 6.40 H new ATOM 0 HG22 VAL A 685 20.484 10.827 -0.350 1.00 6.40 H new ATOM 0 HG23 VAL A 685 21.981 10.614 -1.289 1.00 6.40 H new ATOM 1514 N THR A 686 20.487 7.437 1.781 1.00 5.42 N ATOM 1515 CA THR A 686 19.851 7.531 3.094 1.00 5.41 C ATOM 1516 C THR A 686 18.330 7.514 2.981 1.00 4.84 C ATOM 1517 O THR A 686 17.769 7.825 1.930 1.00 4.79 O ATOM 1518 CB THR A 686 20.286 8.802 3.852 1.00 6.06 C ATOM 1519 OG1 THR A 686 21.541 9.272 3.347 1.00 6.59 O ATOM 1520 CG2 THR A 686 20.405 8.527 5.343 1.00 6.46 C ATOM 0 H THR A 686 21.028 6.584 1.640 1.00 5.42 H new ATOM 0 HA THR A 686 20.178 6.656 3.656 1.00 5.41 H new ATOM 0 HB THR A 686 19.525 9.567 3.698 1.00 6.06 H new ATOM 0 HG1 THR A 686 21.807 10.080 3.833 1.00 6.59 H new ATOM 0 HG21 THR A 686 20.713 9.437 5.857 1.00 6.46 H new ATOM 0 HG22 THR A 686 19.440 8.200 5.731 1.00 6.46 H new ATOM 0 HG23 THR A 686 21.147 7.747 5.511 1.00 6.46 H new ATOM 1528 N ILE A 687 17.669 7.148 4.075 1.00 4.77 N ATOM 1529 CA ILE A 687 16.213 7.088 4.107 1.00 4.48 C ATOM 1530 C ILE A 687 15.603 8.480 3.968 1.00 4.38 C ATOM 1531 O ILE A 687 16.167 9.464 4.446 1.00 4.98 O ATOM 1532 CB ILE A 687 15.706 6.441 5.412 1.00 5.05 C ATOM 1533 CG1 ILE A 687 16.393 5.093 5.637 1.00 5.50 C ATOM 1534 CG2 ILE A 687 14.195 6.269 5.371 1.00 5.32 C ATOM 1535 CD1 ILE A 687 17.496 5.139 6.671 1.00 6.37 C ATOM 0 H ILE A 687 18.120 6.888 4.952 1.00 4.77 H new ATOM 0 HA ILE A 687 15.901 6.473 3.263 1.00 4.48 H new ATOM 0 HB ILE A 687 15.953 7.100 6.244 1.00 5.05 H new ATOM 0 HG12 ILE A 687 15.646 4.362 5.947 1.00 5.50 H new ATOM 0 HG13 ILE A 687 16.808 4.744 4.691 1.00 5.50 H new ATOM 0 HG21 ILE A 687 13.856 5.811 6.300 1.00 5.32 H new ATOM 0 HG22 ILE A 687 13.721 7.243 5.252 1.00 5.32 H new ATOM 0 HG23 ILE A 687 13.924 5.629 4.531 1.00 5.32 H new ATOM 0 HD11 ILE A 687 17.937 4.148 6.777 1.00 6.37 H new ATOM 0 HD12 ILE A 687 18.263 5.845 6.354 1.00 6.37 H new ATOM 0 HD13 ILE A 687 17.084 5.457 7.629 1.00 6.37 H new ATOM 1547 N LYS A 688 14.448 8.550 3.312 1.00 4.05 N ATOM 1548 CA LYS A 688 13.754 9.818 3.106 1.00 4.44 C ATOM 1549 C LYS A 688 14.629 10.801 2.334 1.00 4.69 C ATOM 1550 O LYS A 688 15.600 10.349 1.691 1.00 4.85 O ATOM 1551 CB LYS A 688 13.341 10.426 4.449 1.00 4.76 C ATOM 1552 CG LYS A 688 11.976 11.093 4.423 1.00 4.91 C ATOM 1553 CD LYS A 688 11.109 10.629 5.582 1.00 5.48 C ATOM 1554 CE LYS A 688 10.097 9.584 5.139 1.00 5.80 C ATOM 1555 NZ LYS A 688 8.951 10.193 4.409 1.00 6.08 N ATOM 1556 OXT LYS A 688 14.336 12.015 2.376 1.00 5.16 O ATOM 0 H LYS A 688 13.972 7.741 2.913 1.00 4.05 H new ATOM 0 HA LYS A 688 12.859 9.619 2.517 1.00 4.44 H new ATOM 0 HB2 LYS A 688 13.339 9.643 5.207 1.00 4.76 H new ATOM 0 HB3 LYS A 688 14.088 11.160 4.751 1.00 4.76 H new ATOM 0 HG2 LYS A 688 12.097 12.175 4.468 1.00 4.91 H new ATOM 0 HG3 LYS A 688 11.477 10.867 3.481 1.00 4.91 H new ATOM 0 HD2 LYS A 688 11.741 10.214 6.367 1.00 5.48 H new ATOM 0 HD3 LYS A 688 10.586 11.484 6.011 1.00 5.48 H new ATOM 0 HE2 LYS A 688 10.588 8.852 4.497 1.00 5.80 H new ATOM 0 HE3 LYS A 688 9.726 9.045 6.011 1.00 5.80 H new ATOM 0 HZ1 LYS A 688 8.285 9.447 4.125 1.00 6.08 H new ATOM 0 HZ2 LYS A 688 8.466 10.872 5.029 1.00 6.08 H new ATOM 0 HZ3 LYS A 688 9.301 10.686 3.563 1.00 6.08 H new TER 1570 LYS A 688