USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 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 655 SER OG : rot -10:sc= -3.1! USER MOD Set 1.2: A 677 THR OG1 : rot 69:sc= 1.6 USER MOD Single : A 654 TYR OH : rot 111:sc= 0.141 USER MOD Single : A 657 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.5) USER MOD Single : A 661 TYR OH : rot -15:sc= -1.43! USER MOD Single : A 662 TYR OH : rot -117:sc= 1.12 USER MOD Single : A 664 SER OG : rot -36:sc= 1.04 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.5) USER MOD Single : A 681 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.138) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : B 410 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.8) USER MOD Single : B 411 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Single : B 412 ASN : amide:sc= -0.967 K(o=-0.97,f=-1.8!) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 7.090 1.715 15.896 1.00 0.00 N ATOM 2 CA GLY A 651 6.541 2.717 14.941 1.00 0.00 C ATOM 3 C GLY A 651 6.838 2.364 13.496 1.00 0.00 C ATOM 4 O GLY A 651 7.856 2.783 12.945 1.00 0.00 O ATOM 0 HA2 GLY A 651 5.462 2.793 15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 651 6.961 3.697 15.166 1.00 0.00 H new ATOM 9 N ALA A 652 5.948 1.591 12.883 1.00 0.00 N ATOM 10 CA ALA A 652 6.119 1.182 11.494 1.00 0.00 C ATOM 11 C ALA A 652 6.066 2.384 10.557 1.00 0.00 C ATOM 12 O ALA A 652 7.093 2.842 10.058 1.00 0.00 O ATOM 13 CB ALA A 652 5.057 0.162 11.110 1.00 0.00 C ATOM 0 H ALA A 652 5.101 1.235 13.326 1.00 0.00 H new ATOM 0 HA ALA A 652 7.102 0.721 11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.196 -0.135 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.145 -0.714 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.068 0.603 11.232 1.00 0.00 H new ATOM 19 N ASP A 653 4.859 2.890 10.321 1.00 0.00 N ATOM 20 CA ASP A 653 4.666 4.038 9.443 1.00 0.00 C ATOM 21 C ASP A 653 5.245 3.767 8.059 1.00 0.00 C ATOM 22 O ASP A 653 6.278 4.320 7.683 1.00 0.00 O ATOM 23 CB ASP A 653 5.310 5.288 10.047 1.00 0.00 C ATOM 24 CG ASP A 653 4.760 6.568 9.451 1.00 0.00 C ATOM 25 OD1 ASP A 653 4.465 6.578 8.237 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.623 7.560 10.197 1.00 0.00 O ATOM 0 H ASP A 653 3.999 2.522 10.727 1.00 0.00 H new ATOM 0 HA ASP A 653 3.594 4.208 9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.146 5.293 11.125 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.388 5.251 9.888 1.00 0.00 H new ATOM 31 N TYR A 654 4.567 2.908 7.310 1.00 0.00 N ATOM 32 CA TYR A 654 5.003 2.547 5.962 1.00 0.00 C ATOM 33 C TYR A 654 3.857 2.632 4.957 1.00 0.00 C ATOM 34 O TYR A 654 4.085 2.599 3.748 1.00 0.00 O ATOM 35 CB TYR A 654 5.604 1.136 5.956 1.00 0.00 C ATOM 36 CG TYR A 654 4.617 0.026 6.275 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.471 0.267 7.030 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.838 -1.274 5.824 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.585 -0.737 7.325 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.946 -2.289 6.117 1.00 0.00 C ATOM 41 CZ TYR A 654 2.821 -2.016 6.867 1.00 0.00 C ATOM 42 OH TYR A 654 1.933 -3.024 7.162 1.00 0.00 O ATOM 0 H TYR A 654 3.710 2.445 7.612 1.00 0.00 H new ATOM 0 HA TYR A 654 5.766 3.264 5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.040 0.945 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.418 1.099 6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.276 1.266 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.718 -1.492 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.705 -0.527 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.129 -3.292 5.760 1.00 0.00 H new ATOM 0 HH TYR A 654 1.473 -3.304 6.344 1.00 0.00 H new ATOM 52 N SER A 655 2.628 2.745 5.457 1.00 0.00 N ATOM 53 CA SER A 655 1.447 2.830 4.602 1.00 0.00 C ATOM 54 C SER A 655 1.649 3.799 3.441 1.00 0.00 C ATOM 55 O SER A 655 1.019 3.660 2.398 1.00 0.00 O ATOM 56 CB SER A 655 0.233 3.253 5.426 1.00 0.00 C ATOM 57 OG SER A 655 -0.062 2.291 6.420 1.00 0.00 O ATOM 0 H SER A 655 2.424 2.780 6.456 1.00 0.00 H new ATOM 0 HA SER A 655 1.278 1.840 4.180 1.00 0.00 H new ATOM 0 HB2 SER A 655 0.425 4.219 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.629 3.382 4.771 1.00 0.00 H new ATOM 0 HG SER A 655 0.474 1.486 6.265 1.00 0.00 H new ATOM 63 N ALA A 656 2.527 4.777 3.620 1.00 0.00 N ATOM 64 CA ALA A 656 2.788 5.747 2.569 1.00 0.00 C ATOM 65 C ALA A 656 3.490 5.094 1.400 1.00 0.00 C ATOM 66 O ALA A 656 2.941 4.991 0.304 1.00 0.00 O ATOM 67 CB ALA A 656 3.624 6.901 3.091 1.00 0.00 C ATOM 0 H ALA A 656 3.065 4.918 4.475 1.00 0.00 H new ATOM 0 HA ALA A 656 1.827 6.136 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.805 7.613 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.092 7.398 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.576 6.522 3.461 1.00 0.00 H new ATOM 73 N GLN A 657 4.711 4.651 1.643 1.00 0.00 N ATOM 74 CA GLN A 657 5.489 4.003 0.607 1.00 0.00 C ATOM 75 C GLN A 657 4.947 2.606 0.325 1.00 0.00 C ATOM 76 O GLN A 657 5.369 1.947 -0.625 1.00 0.00 O ATOM 77 CB GLN A 657 6.965 3.935 1.006 1.00 0.00 C ATOM 78 CG GLN A 657 7.844 3.227 -0.014 1.00 0.00 C ATOM 79 CD GLN A 657 9.085 4.023 -0.369 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.033 5.245 -0.514 1.00 0.00 O ATOM 81 NE2 GLN A 657 10.211 3.333 -0.510 1.00 0.00 N ATOM 0 H GLN A 657 5.182 4.728 2.545 1.00 0.00 H new ATOM 0 HA GLN A 657 5.406 4.595 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.339 4.948 1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.050 3.421 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.141 2.255 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.266 3.040 -0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 657 10.209 2.321 -0.381 1.00 0.00 H new ATOM 0 HE22 GLN A 657 11.078 3.815 -0.748 1.00 0.00 H new ATOM 90 N TRP A 658 3.995 2.160 1.142 1.00 0.00 N ATOM 91 CA TRP A 658 3.388 0.856 0.946 1.00 0.00 C ATOM 92 C TRP A 658 2.118 1.016 0.136 1.00 0.00 C ATOM 93 O TRP A 658 1.809 0.188 -0.717 1.00 0.00 O ATOM 94 CB TRP A 658 3.087 0.171 2.282 1.00 0.00 C ATOM 95 CG TRP A 658 4.025 -0.955 2.590 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.703 -2.164 3.135 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.439 -0.977 2.367 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.832 -2.937 3.265 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.909 -2.230 2.801 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.355 -0.061 1.844 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.251 -2.586 2.725 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.687 -0.416 1.770 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.125 -1.670 2.208 1.00 0.00 C ATOM 0 H TRP A 658 3.633 2.682 1.940 1.00 0.00 H new ATOM 0 HA TRP A 658 4.091 0.221 0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.140 0.909 3.082 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.066 -0.209 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.707 -2.469 3.422 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.863 -3.883 3.645 1.00 0.00 H new ATOM 0 HE3 TRP A 658 6.026 0.910 1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.592 -3.554 3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.402 0.286 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.173 -1.920 2.137 1.00 0.00 H new ATOM 114 N ALA A 659 1.399 2.107 0.381 1.00 0.00 N ATOM 115 CA ALA A 659 0.186 2.373 -0.365 1.00 0.00 C ATOM 116 C ALA A 659 0.553 2.790 -1.779 1.00 0.00 C ATOM 117 O ALA A 659 -0.168 2.491 -2.731 1.00 0.00 O ATOM 118 CB ALA A 659 -0.653 3.448 0.312 1.00 0.00 C ATOM 0 H ALA A 659 1.635 2.809 1.082 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.416 1.465 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.557 3.625 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.927 3.118 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.077 4.371 0.379 1.00 0.00 H new ATOM 124 N GLU A 660 1.701 3.463 -1.917 1.00 0.00 N ATOM 125 CA GLU A 660 2.174 3.893 -3.226 1.00 0.00 C ATOM 126 C GLU A 660 2.218 2.700 -4.167 1.00 0.00 C ATOM 127 O GLU A 660 2.005 2.828 -5.372 1.00 0.00 O ATOM 128 CB GLU A 660 3.562 4.536 -3.138 1.00 0.00 C ATOM 129 CG GLU A 660 4.690 3.539 -2.940 1.00 0.00 C ATOM 130 CD GLU A 660 6.034 4.211 -2.743 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.058 5.365 -2.266 1.00 0.00 O ATOM 132 OE2 GLU A 660 7.065 3.583 -3.068 1.00 0.00 O ATOM 0 H GLU A 660 2.312 3.717 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 660 1.481 4.643 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.747 5.103 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.570 5.248 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.470 2.914 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.742 2.878 -3.805 1.00 0.00 H new ATOM 139 N TYR A 661 2.488 1.532 -3.590 1.00 0.00 N ATOM 140 CA TYR A 661 2.553 0.301 -4.355 1.00 0.00 C ATOM 141 C TYR A 661 1.170 -0.079 -4.841 1.00 0.00 C ATOM 142 O TYR A 661 0.905 -0.124 -6.040 1.00 0.00 O ATOM 143 CB TYR A 661 3.134 -0.815 -3.493 1.00 0.00 C ATOM 144 CG TYR A 661 4.631 -0.743 -3.391 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.398 -0.658 -4.537 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.278 -0.751 -2.161 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.767 -0.582 -4.475 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.656 -0.677 -2.084 1.00 0.00 C ATOM 149 CZ TYR A 661 7.398 -0.591 -3.247 1.00 0.00 C ATOM 150 OH TYR A 661 8.770 -0.510 -3.180 1.00 0.00 O ATOM 0 H TYR A 661 2.665 1.418 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 661 3.200 0.451 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.702 -0.760 -2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.848 -1.780 -3.912 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.911 -0.651 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.696 -0.816 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.348 -0.515 -5.383 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.149 -0.686 -1.123 1.00 0.00 H new ATOM 0 HH TYR A 661 9.152 -0.689 -4.065 1.00 0.00 H new ATOM 160 N TYR A 662 0.287 -0.331 -3.890 1.00 0.00 N ATOM 161 CA TYR A 662 -1.085 -0.693 -4.195 1.00 0.00 C ATOM 162 C TYR A 662 -1.769 0.412 -4.984 1.00 0.00 C ATOM 163 O TYR A 662 -2.779 0.178 -5.643 1.00 0.00 O ATOM 164 CB TYR A 662 -1.829 -0.992 -2.901 1.00 0.00 C ATOM 165 CG TYR A 662 -1.029 -1.886 -1.993 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.926 -3.247 -2.235 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.350 -1.357 -0.912 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.165 -4.057 -1.416 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.408 -2.151 -0.086 1.00 0.00 C ATOM 170 CZ TYR A 662 0.501 -3.506 -0.340 1.00 0.00 C ATOM 171 OH TYR A 662 1.261 -4.307 0.481 1.00 0.00 O ATOM 0 H TYR A 662 0.499 -0.291 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.093 -1.588 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.054 -0.058 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.783 -1.467 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.448 -3.680 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.417 -0.298 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.091 -5.116 -1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.928 -1.719 0.756 1.00 0.00 H new ATOM 0 HH TYR A 662 0.885 -4.298 1.386 1.00 0.00 H new ATOM 181 N ARG A 663 -1.197 1.613 -4.939 1.00 0.00 N ATOM 182 CA ARG A 663 -1.750 2.732 -5.678 1.00 0.00 C ATOM 183 C ARG A 663 -1.356 2.647 -7.150 1.00 0.00 C ATOM 184 O ARG A 663 -1.771 3.475 -7.961 1.00 0.00 O ATOM 185 CB ARG A 663 -1.281 4.064 -5.084 1.00 0.00 C ATOM 186 CG ARG A 663 -2.381 4.828 -4.365 1.00 0.00 C ATOM 187 CD ARG A 663 -2.094 4.952 -2.877 1.00 0.00 C ATOM 188 NE ARG A 663 -0.996 5.877 -2.607 1.00 0.00 N ATOM 189 CZ ARG A 663 -0.775 6.441 -1.421 1.00 0.00 C ATOM 190 NH1 ARG A 663 -1.573 6.177 -0.394 1.00 0.00 N ATOM 191 NH2 ARG A 663 0.247 7.271 -1.263 1.00 0.00 N ATOM 0 H ARG A 663 -0.358 1.830 -4.402 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.836 2.683 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.465 3.874 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.879 4.687 -5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.480 5.822 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.334 4.319 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.992 5.294 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.849 3.970 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.361 6.104 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.360 5.539 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -1.399 6.612 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.863 7.477 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 663 0.417 7.703 -0.355 1.00 0.00 H new ATOM 205 N SER A 664 -0.555 1.641 -7.490 1.00 0.00 N ATOM 206 CA SER A 664 -0.116 1.451 -8.862 1.00 0.00 C ATOM 207 C SER A 664 0.365 0.025 -9.102 1.00 0.00 C ATOM 208 O SER A 664 1.101 -0.241 -10.053 1.00 0.00 O ATOM 209 CB SER A 664 0.979 2.450 -9.200 1.00 0.00 C ATOM 210 OG SER A 664 1.570 2.162 -10.456 1.00 0.00 O ATOM 0 H SER A 664 -0.199 0.947 -6.832 1.00 0.00 H new ATOM 0 HA SER A 664 -0.969 1.623 -9.518 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.563 3.457 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.743 2.431 -8.423 1.00 0.00 H new ATOM 0 HG SER A 664 1.615 1.191 -10.581 1.00 0.00 H new ATOM 216 N VAL A 665 -0.078 -0.895 -8.251 1.00 0.00 N ATOM 217 CA VAL A 665 0.285 -2.298 -8.390 1.00 0.00 C ATOM 218 C VAL A 665 -0.950 -3.127 -8.736 1.00 0.00 C ATOM 219 O VAL A 665 -0.841 -4.294 -9.113 1.00 0.00 O ATOM 220 CB VAL A 665 0.970 -2.854 -7.115 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.049 -3.316 -6.078 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.916 -3.987 -7.475 1.00 0.00 C ATOM 0 H VAL A 665 -0.688 -0.693 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 665 1.009 -2.371 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 665 1.543 -2.042 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.473 -3.698 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.679 -2.476 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.669 -4.105 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.389 -4.367 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.356 -4.789 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.682 -3.619 -8.158 1.00 0.00 H new ATOM 232 N GLY A 666 -2.129 -2.508 -8.618 1.00 0.00 N ATOM 233 CA GLY A 666 -3.362 -3.203 -8.937 1.00 0.00 C ATOM 234 C GLY A 666 -4.360 -3.206 -7.796 1.00 0.00 C ATOM 235 O GLY A 666 -5.060 -4.196 -7.586 1.00 0.00 O ATOM 0 H GLY A 666 -2.247 -1.543 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.819 -2.736 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.131 -4.232 -9.211 1.00 0.00 H new ATOM 239 N LYS A 667 -4.438 -2.101 -7.060 1.00 0.00 N ATOM 240 CA LYS A 667 -5.373 -2.005 -5.944 1.00 0.00 C ATOM 241 C LYS A 667 -5.319 -0.633 -5.273 1.00 0.00 C ATOM 242 O LYS A 667 -5.168 -0.535 -4.055 1.00 0.00 O ATOM 243 CB LYS A 667 -5.088 -3.103 -4.915 1.00 0.00 C ATOM 244 CG LYS A 667 -3.609 -3.293 -4.615 1.00 0.00 C ATOM 245 CD LYS A 667 -3.100 -4.632 -5.128 1.00 0.00 C ATOM 246 CE LYS A 667 -3.459 -5.763 -4.179 1.00 0.00 C ATOM 247 NZ LYS A 667 -3.421 -7.089 -4.856 1.00 0.00 N ATOM 0 H LYS A 667 -3.871 -1.267 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.377 -2.139 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.610 -2.864 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.500 -4.045 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.038 -2.486 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.444 -3.229 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.525 -4.832 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.018 -4.588 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -2.766 -5.765 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -4.455 -5.592 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.672 -7.834 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -4.101 -7.096 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -2.464 -7.264 -5.223 1.00 0.00 H new ATOM 261 N ILE A 668 -5.461 0.428 -6.067 1.00 0.00 N ATOM 262 CA ILE A 668 -5.445 1.790 -5.533 1.00 0.00 C ATOM 263 C ILE A 668 -6.477 1.930 -4.432 1.00 0.00 C ATOM 264 O ILE A 668 -6.174 2.359 -3.319 1.00 0.00 O ATOM 265 CB ILE A 668 -5.744 2.836 -6.630 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.514 3.047 -7.501 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.191 4.162 -6.021 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.016 1.780 -8.152 1.00 0.00 C ATOM 0 H ILE A 668 -5.588 0.372 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.445 1.972 -5.139 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.559 2.456 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.748 3.777 -8.276 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.716 3.472 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.394 4.878 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.096 4.006 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.403 4.550 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.138 2.003 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.751 1.055 -7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.799 1.365 -8.787 1.00 0.00 H new ATOM 280 N GLU A 669 -7.700 1.550 -4.758 1.00 0.00 N ATOM 281 CA GLU A 669 -8.799 1.607 -3.817 1.00 0.00 C ATOM 282 C GLU A 669 -8.414 0.916 -2.518 1.00 0.00 C ATOM 283 O GLU A 669 -8.782 1.357 -1.430 1.00 0.00 O ATOM 284 CB GLU A 669 -10.022 0.950 -4.445 1.00 0.00 C ATOM 285 CG GLU A 669 -11.322 1.692 -4.180 1.00 0.00 C ATOM 286 CD GLU A 669 -11.530 2.859 -5.126 1.00 0.00 C ATOM 287 OE1 GLU A 669 -10.833 3.883 -4.966 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.390 2.748 -6.024 1.00 0.00 O ATOM 0 H GLU A 669 -7.956 1.195 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.034 2.645 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.870 0.876 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.111 -0.068 -4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.158 0.999 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.325 2.057 -3.153 1.00 0.00 H new ATOM 295 N GLU A 670 -7.637 -0.151 -2.644 1.00 0.00 N ATOM 296 CA GLU A 670 -7.161 -0.882 -1.482 1.00 0.00 C ATOM 297 C GLU A 670 -5.970 -0.151 -0.886 1.00 0.00 C ATOM 298 O GLU A 670 -5.730 -0.220 0.319 1.00 0.00 O ATOM 299 CB GLU A 670 -6.775 -2.312 -1.860 1.00 0.00 C ATOM 300 CG GLU A 670 -7.089 -3.333 -0.778 1.00 0.00 C ATOM 301 CD GLU A 670 -5.891 -3.641 0.098 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.867 -4.113 -0.440 1.00 0.00 O ATOM 303 OE2 GLU A 670 -5.975 -3.409 1.323 1.00 0.00 O ATOM 0 H GLU A 670 -7.324 -0.528 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.961 -0.937 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.299 -2.591 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.708 -2.345 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.903 -2.959 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.440 -4.254 -1.243 1.00 0.00 H new ATOM 310 N ALA A 671 -5.238 0.582 -1.730 1.00 0.00 N ATOM 311 CA ALA A 671 -4.102 1.343 -1.251 1.00 0.00 C ATOM 312 C ALA A 671 -4.577 2.372 -0.240 1.00 0.00 C ATOM 313 O ALA A 671 -3.883 2.670 0.732 1.00 0.00 O ATOM 314 CB ALA A 671 -3.362 2.003 -2.398 1.00 0.00 C ATOM 0 H ALA A 671 -5.415 0.659 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.400 0.665 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.515 2.567 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.003 1.239 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.036 2.679 -2.925 1.00 0.00 H new ATOM 320 N GLU A 672 -5.789 2.887 -0.454 1.00 0.00 N ATOM 321 CA GLU A 672 -6.367 3.849 0.471 1.00 0.00 C ATOM 322 C GLU A 672 -6.533 3.191 1.836 1.00 0.00 C ATOM 323 O GLU A 672 -6.537 3.862 2.868 1.00 0.00 O ATOM 324 CB GLU A 672 -7.716 4.351 -0.046 1.00 0.00 C ATOM 325 CG GLU A 672 -7.683 4.791 -1.502 1.00 0.00 C ATOM 326 CD GLU A 672 -7.663 6.299 -1.655 1.00 0.00 C ATOM 327 OE1 GLU A 672 -8.714 6.934 -1.431 1.00 0.00 O ATOM 328 OE2 GLU A 672 -6.593 6.846 -2.000 1.00 0.00 O ATOM 0 H GLU A 672 -6.380 2.654 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.701 4.707 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.457 3.560 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.044 5.188 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.802 4.369 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.554 4.389 -2.019 1.00 0.00 H new ATOM 335 N ALA A 673 -6.645 1.862 1.828 1.00 0.00 N ATOM 336 CA ALA A 673 -6.781 1.098 3.054 1.00 0.00 C ATOM 337 C ALA A 673 -5.449 1.055 3.788 1.00 0.00 C ATOM 338 O ALA A 673 -5.400 1.089 5.017 1.00 0.00 O ATOM 339 CB ALA A 673 -7.274 -0.309 2.756 1.00 0.00 C ATOM 0 H ALA A 673 -6.643 1.297 0.979 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.518 1.586 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.370 -0.866 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.245 -0.258 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.562 -0.813 2.103 1.00 0.00 H new ATOM 345 N ILE A 674 -4.368 1.001 3.016 1.00 0.00 N ATOM 346 CA ILE A 674 -3.029 0.978 3.581 1.00 0.00 C ATOM 347 C ILE A 674 -2.781 2.249 4.375 1.00 0.00 C ATOM 348 O ILE A 674 -2.327 2.203 5.514 1.00 0.00 O ATOM 349 CB ILE A 674 -1.955 0.835 2.476 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.773 -0.628 2.111 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.621 1.422 2.909 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.557 -1.041 0.901 1.00 0.00 C ATOM 0 H ILE A 674 -4.396 0.972 1.997 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.956 0.113 4.241 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.303 1.391 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.715 -0.822 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.072 -1.246 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.107 1.302 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.745 2.482 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.267 0.903 3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.381 -2.097 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.619 -0.879 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.241 -0.448 0.043 1.00 0.00 H new ATOM 364 N GLU A 675 -3.096 3.387 3.765 1.00 0.00 N ATOM 365 CA GLU A 675 -2.914 4.674 4.422 1.00 0.00 C ATOM 366 C GLU A 675 -3.459 4.628 5.847 1.00 0.00 C ATOM 367 O GLU A 675 -2.968 5.327 6.732 1.00 0.00 O ATOM 368 CB GLU A 675 -3.600 5.780 3.618 1.00 0.00 C ATOM 369 CG GLU A 675 -2.635 6.828 3.086 1.00 0.00 C ATOM 370 CD GLU A 675 -3.343 7.961 2.370 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.044 7.689 1.373 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.197 9.122 2.808 1.00 0.00 O ATOM 0 H GLU A 675 -3.477 3.443 2.820 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.847 4.893 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.135 5.332 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.344 6.268 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.052 7.233 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -1.931 6.354 2.402 1.00 0.00 H new ATOM 379 N LYS A 676 -4.466 3.785 6.063 1.00 0.00 N ATOM 380 CA LYS A 676 -5.058 3.638 7.387 1.00 0.00 C ATOM 381 C LYS A 676 -4.012 3.177 8.397 1.00 0.00 C ATOM 382 O LYS A 676 -4.021 3.610 9.549 1.00 0.00 O ATOM 383 CB LYS A 676 -6.228 2.651 7.344 1.00 0.00 C ATOM 384 CG LYS A 676 -7.432 3.100 8.155 1.00 0.00 C ATOM 385 CD LYS A 676 -8.732 2.606 7.542 1.00 0.00 C ATOM 386 CE LYS A 676 -9.367 3.666 6.656 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.318 3.073 5.675 1.00 0.00 N ATOM 0 H LYS A 676 -4.886 3.198 5.342 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.435 4.611 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.532 2.506 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.890 1.684 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.345 2.726 9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.447 4.188 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.541 1.707 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -9.427 2.328 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.892 4.392 7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -8.586 4.209 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -10.729 3.828 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -9.812 2.399 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -11.077 2.577 6.184 1.00 0.00 H new ATOM 401 N THR A 677 -3.098 2.315 7.959 1.00 0.00 N ATOM 402 CA THR A 677 -2.040 1.834 8.842 1.00 0.00 C ATOM 403 C THR A 677 -1.107 2.984 9.193 1.00 0.00 C ATOM 404 O THR A 677 -0.479 2.987 10.250 1.00 0.00 O ATOM 405 CB THR A 677 -1.249 0.681 8.204 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.674 0.443 6.875 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.382 -0.619 8.964 1.00 0.00 C ATOM 0 H THR A 677 -3.068 1.940 7.011 1.00 0.00 H new ATOM 0 HA THR A 677 -2.503 1.449 9.750 1.00 0.00 H new ATOM 0 HB THR A 677 -0.207 1.002 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.406 1.195 6.306 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.801 -1.394 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 677 -1.011 -0.486 9.980 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.430 -0.916 8.997 1.00 0.00 H new ATOM 415 N LEU A 678 -1.041 3.975 8.305 1.00 0.00 N ATOM 416 CA LEU A 678 -0.207 5.146 8.528 1.00 0.00 C ATOM 417 C LEU A 678 -0.562 5.785 9.863 1.00 0.00 C ATOM 418 O LEU A 678 0.302 6.324 10.557 1.00 0.00 O ATOM 419 CB LEU A 678 -0.391 6.160 7.396 1.00 0.00 C ATOM 420 CG LEU A 678 0.877 6.913 6.989 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.551 6.224 5.812 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.550 8.359 6.646 1.00 0.00 C ATOM 0 H LEU A 678 -1.557 3.987 7.425 1.00 0.00 H new ATOM 0 HA LEU A 678 0.837 4.834 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.782 5.639 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.145 6.886 7.698 1.00 0.00 H new ATOM 0 HG LEU A 678 1.568 6.907 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.451 6.773 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.819 5.205 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.866 6.199 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.463 8.880 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.159 8.385 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.111 8.849 7.515 1.00 0.00 H new ATOM 434 N LYS A 679 -1.842 5.704 10.226 1.00 0.00 N ATOM 435 CA LYS A 679 -2.311 6.257 11.491 1.00 0.00 C ATOM 436 C LYS A 679 -1.489 5.703 12.655 1.00 0.00 C ATOM 437 O LYS A 679 -1.390 6.328 13.710 1.00 0.00 O ATOM 438 CB LYS A 679 -3.792 5.931 11.695 1.00 0.00 C ATOM 439 CG LYS A 679 -4.365 6.489 12.987 1.00 0.00 C ATOM 440 CD LYS A 679 -4.427 8.007 12.958 1.00 0.00 C ATOM 441 CE LYS A 679 -4.641 8.583 14.349 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.060 8.468 14.786 1.00 0.00 N ATOM 0 H LYS A 679 -2.568 5.262 9.663 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.188 7.340 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.362 6.326 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.922 4.849 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.365 6.086 13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.752 6.165 13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -3.502 8.402 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.237 8.327 12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -3.999 8.063 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -4.342 9.631 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -6.164 8.872 15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.671 8.986 14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -6.338 7.466 14.803 1.00 0.00 H new ATOM 456 N ASN A 680 -0.900 4.525 12.448 1.00 0.00 N ATOM 457 CA ASN A 680 -0.081 3.880 13.471 1.00 0.00 C ATOM 458 C ASN A 680 0.925 4.858 14.071 1.00 0.00 C ATOM 459 O ASN A 680 2.011 5.059 13.526 1.00 0.00 O ATOM 460 CB ASN A 680 0.655 2.679 12.873 1.00 0.00 C ATOM 461 CG ASN A 680 -0.209 1.434 12.827 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.299 1.441 12.254 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.273 0.356 13.435 1.00 0.00 N ATOM 0 H ASN A 680 -0.976 3.998 11.578 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.743 3.540 14.268 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.986 2.925 11.864 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.550 2.475 13.461 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.265 -0.511 13.439 1.00 0.00 H new ATOM 0 HD22 ASN A 680 1.181 0.395 13.898 1.00 0.00 H new ATOM 470 N LYS A 681 0.556 5.465 15.195 1.00 0.00 N ATOM 471 CA LYS A 681 1.425 6.422 15.869 1.00 0.00 C ATOM 472 C LYS A 681 1.836 5.909 17.245 1.00 0.00 C ATOM 473 O LYS A 681 2.030 6.689 18.177 1.00 0.00 O ATOM 474 CB LYS A 681 0.722 7.773 16.005 1.00 0.00 C ATOM 475 CG LYS A 681 -0.522 7.726 16.877 1.00 0.00 C ATOM 476 CD LYS A 681 -1.519 8.803 16.482 1.00 0.00 C ATOM 477 CE LYS A 681 -2.570 9.012 17.561 1.00 0.00 C ATOM 478 NZ LYS A 681 -3.232 7.735 17.946 1.00 0.00 N ATOM 0 H LYS A 681 -0.340 5.311 15.658 1.00 0.00 H new ATOM 0 HA LYS A 681 2.323 6.547 15.265 1.00 0.00 H new ATOM 0 HB2 LYS A 681 1.422 8.497 16.423 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.447 8.132 15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 681 -0.991 6.746 16.792 1.00 0.00 H new ATOM 0 HG3 LYS A 681 -0.240 7.855 17.922 1.00 0.00 H new ATOM 0 HD2 LYS A 681 -0.992 9.739 16.300 1.00 0.00 H new ATOM 0 HD3 LYS A 681 -2.006 8.525 15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 681 -2.105 9.459 18.439 1.00 0.00 H new ATOM 0 HE3 LYS A 681 -3.321 9.717 17.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 -4.061 7.939 18.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 -3.536 7.229 17.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 -2.562 7.143 18.478 1.00 0.00 H new ATOM 492 N GLN A 682 1.965 4.591 17.365 1.00 0.00 N ATOM 493 CA GLN A 682 2.353 3.973 18.628 1.00 0.00 C ATOM 494 C GLN A 682 2.681 2.496 18.433 1.00 0.00 C ATOM 495 O GLN A 682 1.934 1.620 18.868 1.00 0.00 O ATOM 496 CB GLN A 682 1.235 4.130 19.661 1.00 0.00 C ATOM 497 CG GLN A 682 1.354 5.391 20.500 1.00 0.00 C ATOM 498 CD GLN A 682 0.781 5.220 21.894 1.00 0.00 C ATOM 499 OE1 GLN A 682 1.441 5.517 22.889 1.00 0.00 O ATOM 500 NE2 GLN A 682 -0.455 4.740 21.970 1.00 0.00 N ATOM 0 H GLN A 682 1.807 3.931 16.604 1.00 0.00 H new ATOM 0 HA GLN A 682 3.247 4.479 18.993 1.00 0.00 H new ATOM 0 HB2 GLN A 682 0.274 4.136 19.146 1.00 0.00 H new ATOM 0 HB3 GLN A 682 1.238 3.263 20.321 1.00 0.00 H new ATOM 0 HG2 GLN A 682 2.404 5.675 20.575 1.00 0.00 H new ATOM 0 HG3 GLN A 682 0.837 6.208 19.996 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -0.965 4.507 21.118 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -0.894 4.604 22.880 1.00 0.00 H new ATOM 509 N ASN A 683 3.804 2.227 17.774 1.00 0.00 N ATOM 510 CA ASN A 683 4.231 0.857 17.521 1.00 0.00 C ATOM 511 C ASN A 683 3.192 0.106 16.693 1.00 0.00 C ATOM 512 O ASN A 683 2.300 0.769 16.124 1.00 0.00 O ATOM 513 CB ASN A 683 4.474 0.123 18.842 1.00 0.00 C ATOM 514 CG ASN A 683 5.505 -0.980 18.709 1.00 0.00 C ATOM 515 OD1 ASN A 683 5.793 -1.447 17.607 1.00 0.00 O ATOM 516 ND2 ASN A 683 6.067 -1.403 19.835 1.00 0.00 N ATOM 517 OXT ASN A 683 3.281 -1.137 16.620 1.00 0.00 O ATOM 0 H ASN A 683 4.434 2.940 17.406 1.00 0.00 H new ATOM 0 HA ASN A 683 5.163 0.893 16.956 1.00 0.00 H new ATOM 0 HB2 ASN A 683 4.805 0.837 19.596 1.00 0.00 H new ATOM 0 HB3 ASN A 683 3.535 -0.302 19.196 1.00 0.00 H new ATOM 0 HD21 ASN A 683 6.768 -2.144 19.808 1.00 0.00 H new ATOM 0 HD22 ASN A 683 5.798 -0.987 20.727 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -3.195 -22.898 7.674 1.00 0.00 N ATOM 526 CA ARG B 405 -3.365 -21.707 8.555 1.00 0.00 C ATOM 527 C ARG B 405 -2.727 -20.451 7.949 1.00 0.00 C ATOM 528 O ARG B 405 -3.412 -19.451 7.730 1.00 0.00 O ATOM 529 CB ARG B 405 -2.756 -22.013 9.931 1.00 0.00 C ATOM 530 CG ARG B 405 -2.708 -20.812 10.863 1.00 0.00 C ATOM 531 CD ARG B 405 -1.385 -20.071 10.748 1.00 0.00 C ATOM 532 NE ARG B 405 -1.166 -19.167 11.875 1.00 0.00 N ATOM 533 CZ ARG B 405 -0.158 -18.301 11.945 1.00 0.00 C ATOM 534 NH1 ARG B 405 0.724 -18.217 10.956 1.00 0.00 N ATOM 535 NH2 ARG B 405 -0.031 -17.515 13.006 1.00 0.00 N ATOM 0 HA ARG B 405 -4.430 -21.501 8.658 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -3.334 -22.806 10.405 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -1.744 -22.395 9.793 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -3.528 -20.134 10.627 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -2.853 -21.142 11.892 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -0.569 -20.792 10.697 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -1.367 -19.503 9.818 1.00 0.00 H new ATOM 0 HE ARG B 405 -1.824 -19.202 12.653 1.00 0.00 H new ATOM 0 HH11 ARG B 405 0.631 -18.818 10.137 1.00 0.00 H new ATOM 0 HH12 ARG B 405 1.495 -17.551 11.015 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -0.706 -17.574 13.768 1.00 0.00 H new ATOM 0 HH22 ARG B 405 0.742 -16.851 13.059 1.00 0.00 H new ATOM 550 N PRO B 406 -1.405 -20.474 7.679 1.00 0.00 N ATOM 551 CA PRO B 406 -0.692 -19.328 7.111 1.00 0.00 C ATOM 552 C PRO B 406 -1.478 -18.626 6.000 1.00 0.00 C ATOM 553 O PRO B 406 -1.744 -17.428 6.089 1.00 0.00 O ATOM 554 CB PRO B 406 0.613 -19.930 6.563 1.00 0.00 C ATOM 555 CG PRO B 406 0.569 -21.397 6.872 1.00 0.00 C ATOM 556 CD PRO B 406 -0.495 -21.599 7.914 1.00 0.00 C ATOM 0 HA PRO B 406 -0.528 -18.554 7.861 1.00 0.00 H new ATOM 0 HB2 PRO B 406 0.696 -19.762 5.489 1.00 0.00 H new ATOM 0 HB3 PRO B 406 1.481 -19.462 7.027 1.00 0.00 H new ATOM 0 HG2 PRO B 406 0.343 -21.973 5.974 1.00 0.00 H new ATOM 0 HG3 PRO B 406 1.536 -21.743 7.237 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -1.000 -22.558 7.795 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -0.081 -21.580 8.922 1.00 0.00 H new ATOM 564 N PRO B 407 -1.864 -19.361 4.936 1.00 0.00 N ATOM 565 CA PRO B 407 -2.621 -18.795 3.816 1.00 0.00 C ATOM 566 C PRO B 407 -3.695 -17.806 4.268 1.00 0.00 C ATOM 567 O PRO B 407 -4.187 -17.883 5.394 1.00 0.00 O ATOM 568 CB PRO B 407 -3.264 -20.026 3.187 1.00 0.00 C ATOM 569 CG PRO B 407 -2.303 -21.135 3.451 1.00 0.00 C ATOM 570 CD PRO B 407 -1.591 -20.798 4.739 1.00 0.00 C ATOM 0 HA PRO B 407 -1.986 -18.224 3.139 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -4.238 -20.233 3.630 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -3.423 -19.886 2.118 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -2.826 -22.088 3.536 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -1.592 -21.234 2.631 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -1.968 -21.393 5.571 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -0.521 -20.994 4.666 1.00 0.00 H new ATOM 578 N PRO B 408 -4.077 -16.863 3.390 1.00 0.00 N ATOM 579 CA PRO B 408 -5.098 -15.858 3.703 1.00 0.00 C ATOM 580 C PRO B 408 -6.495 -16.462 3.791 1.00 0.00 C ATOM 581 O PRO B 408 -7.251 -16.170 4.717 1.00 0.00 O ATOM 582 CB PRO B 408 -5.009 -14.883 2.527 1.00 0.00 C ATOM 583 CG PRO B 408 -4.471 -15.695 1.402 1.00 0.00 C ATOM 584 CD PRO B 408 -3.541 -16.701 2.024 1.00 0.00 C ATOM 0 HA PRO B 408 -4.928 -15.391 4.673 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -5.986 -14.467 2.283 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -4.354 -14.043 2.758 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -5.276 -16.191 0.859 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -3.943 -15.067 0.685 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -3.544 -17.644 1.477 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -2.512 -16.343 2.036 1.00 0.00 H new ATOM 592 N ALA B 409 -6.832 -17.306 2.820 1.00 0.00 N ATOM 593 CA ALA B 409 -8.138 -17.953 2.785 1.00 0.00 C ATOM 594 C ALA B 409 -9.255 -16.928 2.609 1.00 0.00 C ATOM 595 O ALA B 409 -9.770 -16.742 1.507 1.00 0.00 O ATOM 596 CB ALA B 409 -8.360 -18.769 4.051 1.00 0.00 C ATOM 0 H ALA B 409 -6.217 -17.558 2.046 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.159 -18.625 1.927 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -9.339 -19.246 4.010 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -7.587 -19.534 4.131 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -8.312 -18.113 4.920 1.00 0.00 H new ATOM 602 N HIS B 410 -9.624 -16.266 3.701 1.00 0.00 N ATOM 603 CA HIS B 410 -10.680 -15.261 3.665 1.00 0.00 C ATOM 604 C HIS B 410 -10.808 -14.558 5.014 1.00 0.00 C ATOM 605 O HIS B 410 -11.694 -14.874 5.807 1.00 0.00 O ATOM 606 CB HIS B 410 -12.014 -15.905 3.283 1.00 0.00 C ATOM 607 CG HIS B 410 -12.330 -15.807 1.823 1.00 0.00 C ATOM 608 ND1 HIS B 410 -12.032 -14.696 1.062 1.00 0.00 N ATOM 609 CD2 HIS B 410 -12.921 -16.689 0.982 1.00 0.00 C ATOM 610 CE1 HIS B 410 -12.427 -14.898 -0.183 1.00 0.00 C ATOM 611 NE2 HIS B 410 -12.968 -16.099 -0.257 1.00 0.00 N ATOM 0 H HIS B 410 -9.207 -16.407 4.621 1.00 0.00 H new ATOM 0 HA HIS B 410 -10.415 -14.519 2.912 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -11.997 -16.956 3.573 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -12.813 -15.430 3.852 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -13.287 -17.672 1.238 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -12.324 -14.199 -1.000 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -13.358 -16.521 -1.099 1.00 0.00 H new ATOM 620 N HIS B 411 -9.917 -13.605 5.265 1.00 0.00 N ATOM 621 CA HIS B 411 -9.930 -12.858 6.517 1.00 0.00 C ATOM 622 C HIS B 411 -9.033 -11.627 6.427 1.00 0.00 C ATOM 623 O HIS B 411 -9.515 -10.502 6.305 1.00 0.00 O ATOM 624 CB HIS B 411 -9.477 -13.751 7.673 1.00 0.00 C ATOM 625 CG HIS B 411 -10.592 -14.532 8.298 1.00 0.00 C ATOM 626 ND1 HIS B 411 -10.489 -15.870 8.613 1.00 0.00 N ATOM 627 CD2 HIS B 411 -11.838 -14.154 8.670 1.00 0.00 C ATOM 628 CE1 HIS B 411 -11.624 -16.283 9.149 1.00 0.00 C ATOM 629 NE2 HIS B 411 -12.458 -15.261 9.195 1.00 0.00 N ATOM 0 H HIS B 411 -9.177 -13.332 4.618 1.00 0.00 H new ATOM 0 HA HIS B 411 -10.952 -12.527 6.702 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -8.718 -14.444 7.310 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -9.005 -13.132 8.436 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -12.264 -13.167 8.572 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -11.834 -17.286 9.491 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -13.410 -15.289 9.561 1.00 0.00 H new ATOM 638 N ASN B 412 -7.724 -11.850 6.487 1.00 0.00 N ATOM 639 CA ASN B 412 -6.759 -10.760 6.412 1.00 0.00 C ATOM 640 C ASN B 412 -5.513 -11.187 5.643 1.00 0.00 C ATOM 641 O ASN B 412 -5.265 -12.379 5.458 1.00 0.00 O ATOM 642 CB ASN B 412 -6.370 -10.297 7.818 1.00 0.00 C ATOM 643 CG ASN B 412 -7.249 -9.168 8.319 1.00 0.00 C ATOM 644 OD1 ASN B 412 -8.467 -9.191 8.147 1.00 0.00 O ATOM 645 ND2 ASN B 412 -6.633 -8.171 8.943 1.00 0.00 N ATOM 0 H ASN B 412 -7.308 -12.776 6.587 1.00 0.00 H new ATOM 0 HA ASN B 412 -7.226 -9.932 5.880 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -6.438 -11.139 8.507 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.330 -9.970 7.815 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -7.172 -7.383 9.302 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -5.620 -8.193 9.064 1.00 0.00 H new ATOM 652 N MET B 413 -4.733 -10.208 5.197 1.00 0.00 N ATOM 653 CA MET B 413 -3.514 -10.484 4.447 1.00 0.00 C ATOM 654 C MET B 413 -2.768 -9.191 4.128 1.00 0.00 C ATOM 655 O MET B 413 -3.075 -8.512 3.148 1.00 0.00 O ATOM 656 CB MET B 413 -3.843 -11.229 3.152 1.00 0.00 C ATOM 657 CG MET B 413 -4.779 -10.464 2.231 1.00 0.00 C ATOM 658 SD MET B 413 -5.922 -11.545 1.349 1.00 0.00 S ATOM 659 CE MET B 413 -6.633 -10.398 0.172 1.00 0.00 C ATOM 0 H MET B 413 -4.924 -9.217 5.342 1.00 0.00 H new ATOM 0 HA MET B 413 -2.871 -11.111 5.065 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.916 -11.441 2.619 1.00 0.00 H new ATOM 0 HB3 MET B 413 -4.295 -12.189 3.400 1.00 0.00 H new ATOM 0 HG2 MET B 413 -5.347 -9.741 2.816 1.00 0.00 H new ATOM 0 HG3 MET B 413 -4.190 -9.898 1.509 1.00 0.00 H new ATOM 0 HE1 MET B 413 -7.362 -10.919 -0.449 1.00 0.00 H new ATOM 0 HE2 MET B 413 -7.126 -9.586 0.707 1.00 0.00 H new ATOM 0 HE3 MET B 413 -5.844 -9.990 -0.460 1.00 0.00 H new ATOM 669 N PHE B 414 -1.788 -8.858 4.960 1.00 0.00 N ATOM 670 CA PHE B 414 -0.998 -7.649 4.767 1.00 0.00 C ATOM 671 C PHE B 414 0.112 -7.551 5.810 1.00 0.00 C ATOM 672 O PHE B 414 0.064 -6.710 6.708 1.00 0.00 O ATOM 673 CB PHE B 414 -1.898 -6.410 4.838 1.00 0.00 C ATOM 674 CG PHE B 414 -1.299 -5.191 4.195 1.00 0.00 C ATOM 675 CD1 PHE B 414 -0.399 -4.396 4.889 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.635 -4.837 2.897 1.00 0.00 C ATOM 677 CE1 PHE B 414 0.151 -3.274 4.301 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.087 -3.718 2.307 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.193 -2.935 3.008 1.00 0.00 C ATOM 0 H PHE B 414 -1.522 -9.409 5.776 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.538 -7.698 3.780 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.849 -6.634 4.355 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.115 -6.189 5.883 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -0.125 -4.657 5.901 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -2.334 -5.445 2.342 1.00 0.00 H new ATOM 0 HE1 PHE B 414 0.850 -2.662 4.852 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.358 -3.454 1.295 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.237 -2.059 2.546 1.00 0.00 H new ATOM 689 N SER B 415 1.115 -8.415 5.684 1.00 0.00 N ATOM 690 CA SER B 415 2.239 -8.424 6.614 1.00 0.00 C ATOM 691 C SER B 415 3.351 -7.502 6.120 1.00 0.00 C ATOM 692 O SER B 415 3.464 -6.360 6.564 1.00 0.00 O ATOM 693 CB SER B 415 2.772 -9.848 6.792 1.00 0.00 C ATOM 694 OG SER B 415 3.176 -10.401 5.552 1.00 0.00 O ATOM 0 H SER B 415 1.172 -9.118 4.947 1.00 0.00 H new ATOM 0 HA SER B 415 1.889 -8.058 7.579 1.00 0.00 H new ATOM 0 HB2 SER B 415 3.616 -9.840 7.482 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.001 -10.475 7.239 1.00 0.00 H new ATOM 0 HG SER B 415 3.514 -11.310 5.694 1.00 0.00 H new ATOM 700 N VAL B 416 4.162 -7.999 5.191 1.00 0.00 N ATOM 701 CA VAL B 416 5.253 -7.212 4.631 1.00 0.00 C ATOM 702 C VAL B 416 5.815 -7.859 3.362 1.00 0.00 C ATOM 703 O VAL B 416 7.013 -8.124 3.264 1.00 0.00 O ATOM 704 CB VAL B 416 6.386 -7.009 5.659 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.088 -8.324 5.965 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.376 -5.965 5.162 1.00 0.00 C ATOM 0 H VAL B 416 4.084 -8.942 4.811 1.00 0.00 H new ATOM 0 HA VAL B 416 4.840 -6.237 4.371 1.00 0.00 H new ATOM 0 HB VAL B 416 5.944 -6.646 6.587 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.882 -8.152 6.692 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.369 -9.034 6.374 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.517 -8.729 5.049 1.00 0.00 H new ATOM 0 HG21 VAL B 416 8.168 -5.835 5.899 1.00 0.00 H new ATOM 0 HG22 VAL B 416 7.810 -6.295 4.218 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.860 -5.017 5.012 1.00 0.00 H new ATOM 716 N PRO B 417 4.949 -8.110 2.361 1.00 0.00 N ATOM 717 CA PRO B 417 5.359 -8.714 1.086 1.00 0.00 C ATOM 718 C PRO B 417 6.398 -7.865 0.360 1.00 0.00 C ATOM 719 O PRO B 417 6.428 -6.645 0.519 1.00 0.00 O ATOM 720 CB PRO B 417 4.062 -8.776 0.270 1.00 0.00 C ATOM 721 CG PRO B 417 2.966 -8.666 1.271 1.00 0.00 C ATOM 722 CD PRO B 417 3.505 -7.813 2.381 1.00 0.00 C ATOM 0 HA PRO B 417 5.825 -9.688 1.233 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.015 -7.965 -0.457 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.993 -9.709 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.077 -8.216 0.829 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.675 -9.649 1.641 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.309 -6.755 2.208 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.054 -8.068 3.340 1.00 0.00 H new ATOM 730 N PRO B 418 7.268 -8.492 -0.453 1.00 0.00 N ATOM 731 CA PRO B 418 8.298 -7.764 -1.195 1.00 0.00 C ATOM 732 C PRO B 418 7.666 -6.711 -2.100 1.00 0.00 C ATOM 733 O PRO B 418 6.610 -6.943 -2.686 1.00 0.00 O ATOM 734 CB PRO B 418 8.994 -8.849 -2.027 1.00 0.00 C ATOM 735 CG PRO B 418 8.060 -10.013 -2.017 1.00 0.00 C ATOM 736 CD PRO B 418 7.313 -9.937 -0.716 1.00 0.00 C ATOM 0 HA PRO B 418 8.988 -7.230 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.182 -8.505 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO B 418 9.959 -9.116 -1.597 1.00 0.00 H new ATOM 0 HG2 PRO B 418 7.374 -9.970 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO B 418 8.607 -10.952 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.314 -10.365 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.828 -10.477 0.079 1.00 0.00 H new ATOM 744 N PRO B 419 8.278 -5.518 -2.195 1.00 0.00 N ATOM 745 CA PRO B 419 7.725 -4.424 -3.000 1.00 0.00 C ATOM 746 C PRO B 419 7.790 -4.665 -4.508 1.00 0.00 C ATOM 747 O PRO B 419 8.800 -5.133 -5.035 1.00 0.00 O ATOM 748 CB PRO B 419 8.613 -3.233 -2.630 1.00 0.00 C ATOM 749 CG PRO B 419 9.890 -3.835 -2.155 1.00 0.00 C ATOM 750 CD PRO B 419 9.516 -5.130 -1.497 1.00 0.00 C ATOM 0 HA PRO B 419 6.663 -4.290 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.779 -2.583 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.152 -2.623 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.575 -4.003 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.397 -3.173 -1.453 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.297 -5.881 -1.615 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.352 -5.005 -0.427 1.00 0.00 H new ATOM 758 N PRO B 420 6.699 -4.324 -5.223 1.00 0.00 N ATOM 759 CA PRO B 420 6.610 -4.476 -6.677 1.00 0.00 C ATOM 760 C PRO B 420 7.383 -3.401 -7.448 1.00 0.00 C ATOM 761 O PRO B 420 8.245 -3.720 -8.268 1.00 0.00 O ATOM 762 CB PRO B 420 5.112 -4.358 -6.953 1.00 0.00 C ATOM 763 CG PRO B 420 4.583 -3.508 -5.851 1.00 0.00 C ATOM 764 CD PRO B 420 5.458 -3.765 -4.653 1.00 0.00 C ATOM 0 HA PRO B 420 7.052 -5.416 -7.006 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.925 -3.904 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.634 -5.337 -6.960 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.606 -2.454 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.545 -3.758 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.653 -2.847 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO B 420 4.989 -4.463 -3.960 1.00 0.00 H new ATOM 772 N ILE B 421 7.056 -2.126 -7.205 1.00 0.00 N ATOM 773 CA ILE B 421 7.712 -1.025 -7.909 1.00 0.00 C ATOM 774 C ILE B 421 8.824 -0.385 -7.073 1.00 0.00 C ATOM 775 O ILE B 421 9.301 -0.974 -6.104 1.00 0.00 O ATOM 776 CB ILE B 421 6.686 0.050 -8.386 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.436 1.136 -7.314 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.380 -0.619 -8.805 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.972 1.385 -6.988 1.00 0.00 C ATOM 0 H ILE B 421 6.347 -1.836 -6.532 1.00 0.00 H new ATOM 0 HA ILE B 421 8.178 -1.459 -8.794 1.00 0.00 H new ATOM 0 HB ILE B 421 7.116 0.557 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.954 0.849 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.882 2.071 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.672 0.141 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.573 -1.315 -9.621 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.961 -1.161 -7.957 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.896 2.162 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.448 1.706 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.521 0.466 -6.615 1.00 0.00 H new ATOM 791 N LEU B 422 9.238 0.819 -7.461 1.00 0.00 N ATOM 792 CA LEU B 422 10.292 1.531 -6.750 1.00 0.00 C ATOM 793 C LEU B 422 10.537 2.890 -7.391 1.00 0.00 C ATOM 794 O LEU B 422 11.658 3.399 -7.390 1.00 0.00 O ATOM 795 CB LEU B 422 11.585 0.712 -6.751 1.00 0.00 C ATOM 796 CG LEU B 422 12.446 0.861 -5.496 1.00 0.00 C ATOM 797 CD1 LEU B 422 11.652 0.480 -4.255 1.00 0.00 C ATOM 798 CD2 LEU B 422 13.702 0.009 -5.609 1.00 0.00 C ATOM 0 H LEU B 422 8.858 1.320 -8.264 1.00 0.00 H new ATOM 0 HA LEU B 422 9.972 1.680 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.330 -0.340 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.180 1.001 -7.618 1.00 0.00 H new ATOM 0 HG LEU B 422 12.745 1.905 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.281 0.592 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU B 422 10.782 1.130 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU B 422 11.324 -0.556 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU B 422 14.304 0.127 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.422 -1.038 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU B 422 14.281 0.328 -6.476 1.00 0.00 H new ATOM 810 N GLY B 423 9.474 3.469 -7.942 1.00 0.00 N ATOM 811 CA GLY B 423 9.575 4.762 -8.588 1.00 0.00 C ATOM 812 C GLY B 423 10.761 4.860 -9.531 1.00 0.00 C ATOM 813 O GLY B 423 10.697 4.397 -10.670 1.00 0.00 O ATOM 0 H GLY B 423 8.539 3.061 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY B 423 8.658 4.957 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY B 423 9.658 5.538 -7.827 1.00 0.00 H new ATOM 817 N ARG B 424 11.844 5.465 -9.055 1.00 0.00 N ATOM 818 CA ARG B 424 13.048 5.623 -9.863 1.00 0.00 C ATOM 819 C ARG B 424 12.758 6.442 -11.118 1.00 0.00 C ATOM 820 O ARG B 424 12.353 5.899 -12.145 1.00 0.00 O ATOM 821 CB ARG B 424 13.610 4.255 -10.252 1.00 0.00 C ATOM 822 CG ARG B 424 14.900 4.332 -11.051 1.00 0.00 C ATOM 823 CD ARG B 424 15.009 3.188 -12.046 1.00 0.00 C ATOM 824 NE ARG B 424 14.895 1.884 -11.396 1.00 0.00 N ATOM 825 CZ ARG B 424 14.633 0.752 -12.046 1.00 0.00 C ATOM 826 NH1 ARG B 424 14.458 0.759 -13.361 1.00 0.00 N ATOM 827 NH2 ARG B 424 14.547 -0.390 -11.378 1.00 0.00 N ATOM 0 H ARG B 424 11.913 5.854 -8.115 1.00 0.00 H new ATOM 0 HA ARG B 424 13.788 6.156 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG B 424 13.787 3.674 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG B 424 12.863 3.717 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG B 424 14.944 5.283 -11.582 1.00 0.00 H new ATOM 0 HG3 ARG B 424 15.752 4.307 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG B 424 14.227 3.287 -12.799 1.00 0.00 H new ATOM 0 HD3 ARG B 424 15.964 3.251 -12.567 1.00 0.00 H new ATOM 0 HE ARG B 424 15.024 1.838 -10.385 1.00 0.00 H new ATOM 0 HH11 ARG B 424 14.524 1.635 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG B 424 14.258 -0.111 -13.853 1.00 0.00 H new ATOM 0 HH21 ARG B 424 14.682 -0.401 -10.367 1.00 0.00 H new ATOM 0 HH22 ARG B 424 14.346 -1.258 -11.875 1.00 0.00 H new ATOM 841 N GLY B 425 12.968 7.750 -11.026 1.00 0.00 N ATOM 842 CA GLY B 425 12.725 8.622 -12.159 1.00 0.00 C ATOM 843 C GLY B 425 13.619 8.302 -13.340 1.00 0.00 C ATOM 844 O GLY B 425 13.421 8.905 -14.416 1.00 0.00 O ATOM 845 OXT GLY B 425 14.518 7.448 -13.189 1.00 0.00 O ATOM 0 H GLY B 425 13.303 8.222 -10.186 1.00 0.00 H new ATOM 0 HA2 GLY B 425 11.682 8.535 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY B 425 12.884 9.657 -11.857 1.00 0.00 H new TER 849 GLY B 425