USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=7 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 680 ASN : amide:sc= -0.929 K(o=-2.6,f=-0.68) USER MOD Set 1.2: A 683 ASN : amide:sc= -1.66 K(o=-2.6,f=0.75) USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot 142:sc= -3.8 USER MOD Single : A 657 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 661 TYR OH : rot -11:sc= -1.55! USER MOD Single : A 662 TYR OH : rot -122:sc= 0.804 USER MOD Single : A 664 SER OG : rot -39:sc= 1.12 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 677 THR OG1 : rot 83:sc= 0.0143 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 410 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.52) USER MOD Single : B 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 412 ASN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= -1.49 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 5.655 2.017 15.041 1.00 0.00 N ATOM 2 CA GLY A 651 7.116 2.131 14.778 1.00 0.00 C ATOM 3 C GLY A 651 7.475 1.802 13.343 1.00 0.00 C ATOM 4 O GLY A 651 8.561 1.290 13.069 1.00 0.00 O ATOM 0 HA2 GLY A 651 7.445 3.144 15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 651 7.656 1.461 15.447 1.00 0.00 H new ATOM 9 N ALA A 652 6.561 2.096 12.424 1.00 0.00 N ATOM 10 CA ALA A 652 6.786 1.829 11.009 1.00 0.00 C ATOM 11 C ALA A 652 6.208 2.941 10.141 1.00 0.00 C ATOM 12 O ALA A 652 6.946 3.704 9.520 1.00 0.00 O ATOM 13 CB ALA A 652 6.180 0.487 10.623 1.00 0.00 C ATOM 0 H ALA A 652 5.657 2.519 12.635 1.00 0.00 H new ATOM 0 HA ALA A 652 7.862 1.793 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 652 6.355 0.300 9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 652 6.643 -0.304 11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 652 5.107 0.503 10.816 1.00 0.00 H new ATOM 19 N ASP A 653 4.882 3.025 10.102 1.00 0.00 N ATOM 20 CA ASP A 653 4.202 4.043 9.310 1.00 0.00 C ATOM 21 C ASP A 653 4.574 3.922 7.837 1.00 0.00 C ATOM 22 O ASP A 653 4.700 4.923 7.131 1.00 0.00 O ATOM 23 CB ASP A 653 4.552 5.441 9.827 1.00 0.00 C ATOM 24 CG ASP A 653 3.555 6.491 9.378 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.586 6.872 8.190 1.00 0.00 O ATOM 26 OD2 ASP A 653 2.742 6.933 10.217 1.00 0.00 O ATOM 0 H ASP A 653 4.257 2.400 10.610 1.00 0.00 H new ATOM 0 HA ASP A 653 3.128 3.888 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 653 4.591 5.423 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.547 5.716 9.477 1.00 0.00 H new ATOM 31 N TYR A 654 4.742 2.688 7.383 1.00 0.00 N ATOM 32 CA TYR A 654 5.095 2.423 5.991 1.00 0.00 C ATOM 33 C TYR A 654 3.900 2.607 5.059 1.00 0.00 C ATOM 34 O TYR A 654 4.048 2.557 3.841 1.00 0.00 O ATOM 35 CB TYR A 654 5.650 1.001 5.831 1.00 0.00 C ATOM 36 CG TYR A 654 4.841 -0.091 6.521 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.615 0.171 7.137 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.319 -1.398 6.558 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.906 -0.827 7.763 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.607 -2.402 7.185 1.00 0.00 C ATOM 41 CZ TYR A 654 3.402 -2.112 7.786 1.00 0.00 C ATOM 42 OH TYR A 654 2.691 -3.109 8.412 1.00 0.00 O ATOM 0 H TYR A 654 4.640 1.852 7.958 1.00 0.00 H new ATOM 0 HA TYR A 654 5.863 3.146 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.711 0.769 4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.668 0.979 6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.217 1.175 7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.263 -1.631 6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.961 -0.604 8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.994 -3.410 7.204 1.00 0.00 H new ATOM 0 HH TYR A 654 3.179 -3.956 8.336 1.00 0.00 H new ATOM 52 N SER A 655 2.718 2.813 5.634 1.00 0.00 N ATOM 53 CA SER A 655 1.496 2.991 4.855 1.00 0.00 C ATOM 54 C SER A 655 1.708 3.915 3.663 1.00 0.00 C ATOM 55 O SER A 655 1.045 3.773 2.639 1.00 0.00 O ATOM 56 CB SER A 655 0.380 3.525 5.759 1.00 0.00 C ATOM 57 OG SER A 655 -0.434 4.471 5.085 1.00 0.00 O ATOM 0 H SER A 655 2.581 2.861 6.644 1.00 0.00 H new ATOM 0 HA SER A 655 1.207 2.018 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.237 2.695 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 655 0.818 3.987 6.644 1.00 0.00 H new ATOM 0 HG SER A 655 -1.368 4.352 5.357 1.00 0.00 H new ATOM 63 N ALA A 656 2.628 4.855 3.790 1.00 0.00 N ATOM 64 CA ALA A 656 2.897 5.777 2.701 1.00 0.00 C ATOM 65 C ALA A 656 3.557 5.064 1.542 1.00 0.00 C ATOM 66 O ALA A 656 2.977 4.931 0.465 1.00 0.00 O ATOM 67 CB ALA A 656 3.769 6.930 3.167 1.00 0.00 C ATOM 0 H ALA A 656 3.195 4.999 4.625 1.00 0.00 H new ATOM 0 HA ALA A 656 1.941 6.179 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.955 7.606 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.261 7.471 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.717 6.542 3.538 1.00 0.00 H new ATOM 73 N GLN A 657 4.776 4.609 1.767 1.00 0.00 N ATOM 74 CA GLN A 657 5.511 3.912 0.734 1.00 0.00 C ATOM 75 C GLN A 657 4.877 2.557 0.444 1.00 0.00 C ATOM 76 O GLN A 657 5.127 1.961 -0.604 1.00 0.00 O ATOM 77 CB GLN A 657 6.976 3.737 1.139 1.00 0.00 C ATOM 78 CG GLN A 657 7.941 3.782 -0.035 1.00 0.00 C ATOM 79 CD GLN A 657 9.281 4.385 0.335 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.502 4.782 1.480 1.00 0.00 O ATOM 81 NE2 GLN A 657 10.185 4.459 -0.635 1.00 0.00 N ATOM 0 H GLN A 657 5.274 4.710 2.652 1.00 0.00 H new ATOM 0 HA GLN A 657 5.472 4.513 -0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.244 4.519 1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.090 2.784 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.094 2.771 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.497 4.362 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.959 4.118 -1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 657 11.105 4.857 -0.446 1.00 0.00 H new ATOM 90 N TRP A 658 4.045 2.073 1.364 1.00 0.00 N ATOM 91 CA TRP A 658 3.380 0.797 1.167 1.00 0.00 C ATOM 92 C TRP A 658 2.120 1.001 0.357 1.00 0.00 C ATOM 93 O TRP A 658 1.798 0.197 -0.515 1.00 0.00 O ATOM 94 CB TRP A 658 3.050 0.124 2.503 1.00 0.00 C ATOM 95 CG TRP A 658 3.995 -0.982 2.857 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.680 -2.167 3.457 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.409 -1.010 2.629 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.812 -2.930 3.617 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.885 -2.240 3.117 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.319 -0.115 2.062 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.229 -2.595 3.052 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.653 -0.468 1.998 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.097 -1.701 2.490 1.00 0.00 C ATOM 0 H TRP A 658 3.820 2.542 2.241 1.00 0.00 H new ATOM 0 HA TRP A 658 4.058 0.138 0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.066 0.874 3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.036 -0.273 2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.687 -2.462 3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.847 -3.858 4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.985 0.838 1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.575 -3.545 3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.364 0.218 1.562 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.146 -1.951 2.424 1.00 0.00 H new ATOM 114 N ALA A 659 1.420 2.098 0.622 1.00 0.00 N ATOM 115 CA ALA A 659 0.213 2.396 -0.122 1.00 0.00 C ATOM 116 C ALA A 659 0.582 2.781 -1.546 1.00 0.00 C ATOM 117 O ALA A 659 -0.164 2.507 -2.486 1.00 0.00 O ATOM 118 CB ALA A 659 -0.587 3.501 0.552 1.00 0.00 C ATOM 0 H ALA A 659 1.666 2.783 1.336 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.418 1.508 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.487 3.704 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.866 3.186 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.019 4.405 0.610 1.00 0.00 H new ATOM 124 N GLU A 660 1.754 3.404 -1.702 1.00 0.00 N ATOM 125 CA GLU A 660 2.232 3.809 -3.018 1.00 0.00 C ATOM 126 C GLU A 660 2.268 2.613 -3.953 1.00 0.00 C ATOM 127 O GLU A 660 2.095 2.745 -5.166 1.00 0.00 O ATOM 128 CB GLU A 660 3.621 4.458 -2.927 1.00 0.00 C ATOM 129 CG GLU A 660 4.776 3.470 -2.802 1.00 0.00 C ATOM 130 CD GLU A 660 5.701 3.493 -4.005 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.691 4.498 -4.745 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.436 2.502 -4.205 1.00 0.00 O ATOM 0 H GLU A 660 2.384 3.636 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 660 1.540 4.550 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.780 5.072 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.639 5.128 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.349 3.700 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.376 2.464 -2.676 1.00 0.00 H new ATOM 139 N TYR A 661 2.488 1.442 -3.372 1.00 0.00 N ATOM 140 CA TYR A 661 2.541 0.210 -4.136 1.00 0.00 C ATOM 141 C TYR A 661 1.152 -0.188 -4.603 1.00 0.00 C ATOM 142 O TYR A 661 0.911 -0.395 -5.791 1.00 0.00 O ATOM 143 CB TYR A 661 3.132 -0.905 -3.276 1.00 0.00 C ATOM 144 CG TYR A 661 4.630 -0.831 -3.160 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.411 -0.716 -4.295 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.264 -0.876 -1.924 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.781 -0.648 -4.215 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.641 -0.808 -1.829 1.00 0.00 C ATOM 149 CZ TYR A 661 7.397 -0.693 -2.979 1.00 0.00 C ATOM 150 OH TYR A 661 8.767 -0.618 -2.893 1.00 0.00 O ATOM 0 H TYR A 661 2.633 1.322 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 661 3.172 0.370 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.694 -0.858 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.854 -1.869 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.935 -0.679 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.672 -0.965 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.373 -0.560 -5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.122 -0.845 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 661 9.156 -0.709 -3.788 1.00 0.00 H new ATOM 160 N TYR A 662 0.248 -0.303 -3.646 1.00 0.00 N ATOM 161 CA TYR A 662 -1.123 -0.694 -3.924 1.00 0.00 C ATOM 162 C TYR A 662 -1.849 0.338 -4.764 1.00 0.00 C ATOM 163 O TYR A 662 -2.782 -0.002 -5.486 1.00 0.00 O ATOM 164 CB TYR A 662 -1.841 -0.954 -2.611 1.00 0.00 C ATOM 165 CG TYR A 662 -1.013 -1.827 -1.714 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.824 -3.169 -2.006 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.382 -1.299 -0.607 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.030 -3.964 -1.208 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.408 -2.079 0.204 1.00 0.00 C ATOM 170 CZ TYR A 662 0.585 -3.417 -0.099 1.00 0.00 C ATOM 171 OH TYR A 662 1.381 -4.205 0.702 1.00 0.00 O ATOM 0 H TYR A 662 0.442 -0.129 -2.660 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.114 -1.610 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.050 -0.008 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.801 -1.432 -2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.306 -3.598 -2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.511 -0.253 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.110 -5.008 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.887 -1.650 1.072 1.00 0.00 H new ATOM 0 HH TYR A 662 1.033 -4.198 1.618 1.00 0.00 H new ATOM 181 N ARG A 663 -1.408 1.592 -4.712 1.00 0.00 N ATOM 182 CA ARG A 663 -2.038 2.616 -5.528 1.00 0.00 C ATOM 183 C ARG A 663 -1.340 2.714 -6.879 1.00 0.00 C ATOM 184 O ARG A 663 -1.332 3.766 -7.517 1.00 0.00 O ATOM 185 CB ARG A 663 -2.063 3.973 -4.830 1.00 0.00 C ATOM 186 CG ARG A 663 -0.697 4.512 -4.456 1.00 0.00 C ATOM 187 CD ARG A 663 -0.784 5.326 -3.180 1.00 0.00 C ATOM 188 NE ARG A 663 0.218 6.390 -3.134 1.00 0.00 N ATOM 189 CZ ARG A 663 0.285 7.304 -2.169 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.589 7.288 -1.169 1.00 0.00 N ATOM 191 NH2 ARG A 663 1.226 8.236 -2.202 1.00 0.00 N ATOM 0 H ARG A 663 -0.636 1.915 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.076 2.321 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.558 4.693 -5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.667 3.892 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 663 0.003 3.687 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.309 5.131 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.779 5.763 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -0.652 4.668 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 663 0.906 6.434 -3.886 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -1.316 6.573 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -0.533 7.991 -0.432 1.00 0.00 H new ATOM 0 HH21 ARG A 663 1.900 8.253 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 663 1.277 8.936 -1.462 1.00 0.00 H new ATOM 205 N SER A 664 -0.758 1.593 -7.304 1.00 0.00 N ATOM 206 CA SER A 664 -0.056 1.515 -8.575 1.00 0.00 C ATOM 207 C SER A 664 0.478 0.104 -8.831 1.00 0.00 C ATOM 208 O SER A 664 1.364 -0.092 -9.664 1.00 0.00 O ATOM 209 CB SER A 664 1.080 2.528 -8.605 1.00 0.00 C ATOM 210 OG SER A 664 1.759 2.503 -9.849 1.00 0.00 O ATOM 0 H SER A 664 -0.762 0.720 -6.777 1.00 0.00 H new ATOM 0 HA SER A 664 -0.764 1.750 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.684 3.527 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.783 2.313 -7.800 1.00 0.00 H new ATOM 0 HG SER A 664 1.843 1.577 -10.157 1.00 0.00 H new ATOM 216 N VAL A 665 -0.083 -0.880 -8.126 1.00 0.00 N ATOM 217 CA VAL A 665 0.318 -2.272 -8.295 1.00 0.00 C ATOM 218 C VAL A 665 -0.906 -3.154 -8.547 1.00 0.00 C ATOM 219 O VAL A 665 -0.798 -4.377 -8.625 1.00 0.00 O ATOM 220 CB VAL A 665 1.109 -2.803 -7.071 1.00 0.00 C ATOM 221 CG1 VAL A 665 0.195 -3.080 -5.882 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.894 -4.049 -7.449 1.00 0.00 C ATOM 0 H VAL A 665 -0.817 -0.735 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 665 0.979 -2.313 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 665 1.809 -2.025 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.788 -3.450 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.310 -2.160 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.547 -3.828 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.444 -4.410 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.206 -4.823 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.595 -3.809 -8.248 1.00 0.00 H new ATOM 232 N GLY A 666 -2.073 -2.518 -8.689 1.00 0.00 N ATOM 233 CA GLY A 666 -3.296 -3.252 -8.946 1.00 0.00 C ATOM 234 C GLY A 666 -4.238 -3.292 -7.756 1.00 0.00 C ATOM 235 O GLY A 666 -4.810 -4.341 -7.455 1.00 0.00 O ATOM 0 H GLY A 666 -2.187 -1.506 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.812 -2.799 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.044 -4.272 -9.235 1.00 0.00 H new ATOM 239 N LYS A 667 -4.416 -2.158 -7.075 1.00 0.00 N ATOM 240 CA LYS A 667 -5.315 -2.108 -5.921 1.00 0.00 C ATOM 241 C LYS A 667 -5.306 -0.741 -5.230 1.00 0.00 C ATOM 242 O LYS A 667 -5.113 -0.657 -4.016 1.00 0.00 O ATOM 243 CB LYS A 667 -4.941 -3.199 -4.911 1.00 0.00 C ATOM 244 CG LYS A 667 -3.446 -3.309 -4.656 1.00 0.00 C ATOM 245 CD LYS A 667 -2.899 -4.663 -5.083 1.00 0.00 C ATOM 246 CE LYS A 667 -3.579 -5.799 -4.336 1.00 0.00 C ATOM 247 NZ LYS A 667 -2.635 -6.913 -4.042 1.00 0.00 N ATOM 0 H LYS A 667 -3.957 -1.275 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.324 -2.279 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.448 -2.997 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.311 -4.159 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -2.926 -2.519 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.246 -3.154 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.044 -4.793 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -1.825 -4.697 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.997 -5.421 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -4.412 -6.176 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.137 -7.668 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -2.255 -7.291 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -1.853 -6.559 -3.455 1.00 0.00 H new ATOM 261 N ILE A 668 -5.535 0.328 -5.994 1.00 0.00 N ATOM 262 CA ILE A 668 -5.571 1.677 -5.421 1.00 0.00 C ATOM 263 C ILE A 668 -6.614 1.742 -4.327 1.00 0.00 C ATOM 264 O ILE A 668 -6.353 2.205 -3.216 1.00 0.00 O ATOM 265 CB ILE A 668 -5.905 2.742 -6.491 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.669 3.051 -7.324 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.439 4.019 -5.852 1.00 0.00 C ATOM 268 CD1 ILE A 668 -3.997 1.817 -7.870 1.00 0.00 C ATOM 0 H ILE A 668 -5.697 0.289 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.581 1.889 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.683 2.338 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.951 3.700 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.956 3.605 -6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.665 4.748 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.346 3.794 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.688 4.429 -5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.123 2.107 -8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.686 1.177 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.695 1.274 -8.507 1.00 0.00 H new ATOM 280 N GLU A 669 -7.795 1.258 -4.657 1.00 0.00 N ATOM 281 CA GLU A 669 -8.904 1.229 -3.728 1.00 0.00 C ATOM 282 C GLU A 669 -8.470 0.598 -2.413 1.00 0.00 C ATOM 283 O GLU A 669 -8.875 1.036 -1.336 1.00 0.00 O ATOM 284 CB GLU A 669 -10.044 0.446 -4.362 1.00 0.00 C ATOM 285 CG GLU A 669 -11.415 1.065 -4.137 1.00 0.00 C ATOM 286 CD GLU A 669 -12.175 0.402 -3.005 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.363 -0.831 -3.059 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.582 1.117 -2.066 1.00 0.00 O ATOM 0 H GLU A 669 -8.011 0.874 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.241 2.243 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.864 0.365 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.043 -0.567 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.299 2.127 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.999 0.990 -5.055 1.00 0.00 H new ATOM 295 N GLU A 670 -7.613 -0.408 -2.512 1.00 0.00 N ATOM 296 CA GLU A 670 -7.086 -1.072 -1.334 1.00 0.00 C ATOM 297 C GLU A 670 -5.935 -0.255 -0.775 1.00 0.00 C ATOM 298 O GLU A 670 -5.682 -0.270 0.429 1.00 0.00 O ATOM 299 CB GLU A 670 -6.622 -2.491 -1.670 1.00 0.00 C ATOM 300 CG GLU A 670 -6.762 -3.466 -0.512 1.00 0.00 C ATOM 301 CD GLU A 670 -6.399 -4.886 -0.900 1.00 0.00 C ATOM 302 OE1 GLU A 670 -6.512 -5.222 -2.098 1.00 0.00 O ATOM 303 OE2 GLU A 670 -5.999 -5.662 -0.007 1.00 0.00 O ATOM 0 H GLU A 670 -7.269 -0.781 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.874 -1.149 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.198 -2.862 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.578 -2.459 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.123 -3.143 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.788 -3.444 -0.145 1.00 0.00 H new ATOM 310 N ALA A 671 -5.253 0.493 -1.648 1.00 0.00 N ATOM 311 CA ALA A 671 -4.164 1.333 -1.198 1.00 0.00 C ATOM 312 C ALA A 671 -4.705 2.379 -0.239 1.00 0.00 C ATOM 313 O ALA A 671 -4.033 2.770 0.715 1.00 0.00 O ATOM 314 CB ALA A 671 -3.446 1.980 -2.368 1.00 0.00 C ATOM 0 H ALA A 671 -5.439 0.528 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.431 0.716 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.634 2.604 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.040 1.206 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.148 2.595 -2.931 1.00 0.00 H new ATOM 320 N GLU A 672 -5.952 2.798 -0.472 1.00 0.00 N ATOM 321 CA GLU A 672 -6.592 3.760 0.408 1.00 0.00 C ATOM 322 C GLU A 672 -6.679 3.171 1.812 1.00 0.00 C ATOM 323 O GLU A 672 -6.740 3.896 2.805 1.00 0.00 O ATOM 324 CB GLU A 672 -7.990 4.116 -0.105 1.00 0.00 C ATOM 325 CG GLU A 672 -8.006 4.578 -1.552 1.00 0.00 C ATOM 326 CD GLU A 672 -8.074 6.088 -1.681 1.00 0.00 C ATOM 327 OE1 GLU A 672 -9.187 6.644 -1.562 1.00 0.00 O ATOM 328 OE2 GLU A 672 -7.017 6.713 -1.901 1.00 0.00 O ATOM 0 H GLU A 672 -6.527 2.486 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.999 4.674 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.638 3.246 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.410 4.902 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.111 4.214 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.861 4.134 -2.062 1.00 0.00 H new ATOM 335 N ALA A 673 -6.660 1.838 1.880 1.00 0.00 N ATOM 336 CA ALA A 673 -6.712 1.131 3.148 1.00 0.00 C ATOM 337 C ALA A 673 -5.386 1.273 3.878 1.00 0.00 C ATOM 338 O ALA A 673 -5.351 1.550 5.078 1.00 0.00 O ATOM 339 CB ALA A 673 -7.049 -0.336 2.928 1.00 0.00 C ATOM 0 H ALA A 673 -6.609 1.229 1.063 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.497 1.571 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.084 -0.849 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.019 -0.417 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.286 -0.794 2.299 1.00 0.00 H new ATOM 345 N ILE A 674 -4.292 1.103 3.140 1.00 0.00 N ATOM 346 CA ILE A 674 -2.962 1.236 3.714 1.00 0.00 C ATOM 347 C ILE A 674 -2.792 2.632 4.287 1.00 0.00 C ATOM 348 O ILE A 674 -2.236 2.809 5.367 1.00 0.00 O ATOM 349 CB ILE A 674 -1.862 0.969 2.666 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.811 -0.510 2.326 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.504 1.425 3.164 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.597 -0.862 1.099 1.00 0.00 C ATOM 0 H ILE A 674 -4.303 0.874 2.146 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.861 0.493 4.505 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.109 1.540 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.772 -0.807 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.192 -1.084 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.249 1.223 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.533 2.495 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.251 0.885 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.519 -1.933 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.643 -0.595 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.201 -0.314 0.244 1.00 0.00 H new ATOM 364 N GLU A 675 -3.297 3.625 3.562 1.00 0.00 N ATOM 365 CA GLU A 675 -3.222 5.005 4.013 1.00 0.00 C ATOM 366 C GLU A 675 -3.698 5.101 5.460 1.00 0.00 C ATOM 367 O GLU A 675 -3.262 5.969 6.215 1.00 0.00 O ATOM 368 CB GLU A 675 -4.058 5.906 3.104 1.00 0.00 C ATOM 369 CG GLU A 675 -3.249 6.998 2.422 1.00 0.00 C ATOM 370 CD GLU A 675 -4.107 7.921 1.581 1.00 0.00 C ATOM 371 OE1 GLU A 675 -5.169 7.472 1.101 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.717 9.095 1.402 1.00 0.00 O ATOM 0 H GLU A 675 -3.761 3.498 2.663 1.00 0.00 H new ATOM 0 HA GLU A 675 -2.187 5.343 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.541 5.293 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.851 6.367 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.726 7.583 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -2.488 6.540 1.790 1.00 0.00 H new ATOM 379 N LYS A 676 -4.585 4.180 5.840 1.00 0.00 N ATOM 380 CA LYS A 676 -5.106 4.137 7.199 1.00 0.00 C ATOM 381 C LYS A 676 -4.021 3.677 8.169 1.00 0.00 C ATOM 382 O LYS A 676 -3.932 4.173 9.291 1.00 0.00 O ATOM 383 CB LYS A 676 -6.320 3.205 7.272 1.00 0.00 C ATOM 384 CG LYS A 676 -7.514 3.818 7.984 1.00 0.00 C ATOM 385 CD LYS A 676 -8.474 4.470 7.002 1.00 0.00 C ATOM 386 CE LYS A 676 -9.887 4.528 7.559 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.714 5.557 6.869 1.00 0.00 N ATOM 0 H LYS A 676 -4.955 3.456 5.223 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.421 5.141 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.615 2.926 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.033 2.287 7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -8.038 3.047 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.168 4.560 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.131 5.479 6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.473 3.912 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -10.359 3.551 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.848 4.749 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.670 5.565 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.277 6.493 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -10.773 5.333 5.855 1.00 0.00 H new ATOM 401 N THR A 677 -3.185 2.741 7.723 1.00 0.00 N ATOM 402 CA THR A 677 -2.095 2.244 8.557 1.00 0.00 C ATOM 403 C THR A 677 -1.164 3.390 8.930 1.00 0.00 C ATOM 404 O THR A 677 -0.510 3.360 9.972 1.00 0.00 O ATOM 405 CB THR A 677 -1.310 1.134 7.845 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.951 0.754 6.641 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.153 -0.112 8.691 1.00 0.00 C ATOM 0 H THR A 677 -3.241 2.316 6.798 1.00 0.00 H new ATOM 0 HA THR A 677 -2.526 1.820 9.464 1.00 0.00 H new ATOM 0 HB THR A 677 -0.324 1.555 7.648 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.696 1.373 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.590 -0.861 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.619 0.136 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.137 -0.509 8.940 1.00 0.00 H new ATOM 415 N LEU A 678 -1.125 4.412 8.075 1.00 0.00 N ATOM 416 CA LEU A 678 -0.293 5.580 8.323 1.00 0.00 C ATOM 417 C LEU A 678 -0.601 6.152 9.700 1.00 0.00 C ATOM 418 O LEU A 678 0.280 6.672 10.383 1.00 0.00 O ATOM 419 CB LEU A 678 -0.528 6.640 7.246 1.00 0.00 C ATOM 420 CG LEU A 678 0.738 7.318 6.718 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.257 6.594 5.486 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.468 8.782 6.405 1.00 0.00 C ATOM 0 H LEU A 678 -1.660 4.451 7.208 1.00 0.00 H new ATOM 0 HA LEU A 678 0.754 5.279 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.050 6.176 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.191 7.406 7.650 1.00 0.00 H new ATOM 0 HG LEU A 678 1.504 7.268 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.158 7.090 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.490 5.561 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.496 6.611 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.379 9.248 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.314 8.854 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.144 9.294 7.311 1.00 0.00 H new ATOM 434 N LYS A 679 -1.864 6.035 10.106 1.00 0.00 N ATOM 435 CA LYS A 679 -2.295 6.522 11.410 1.00 0.00 C ATOM 436 C LYS A 679 -1.430 5.926 12.520 1.00 0.00 C ATOM 437 O LYS A 679 -1.297 6.507 13.597 1.00 0.00 O ATOM 438 CB LYS A 679 -3.763 6.167 11.647 1.00 0.00 C ATOM 439 CG LYS A 679 -4.301 6.655 12.982 1.00 0.00 C ATOM 440 CD LYS A 679 -5.820 6.713 12.984 1.00 0.00 C ATOM 441 CE LYS A 679 -6.359 7.164 14.331 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.650 8.624 14.352 1.00 0.00 N ATOM 0 H LYS A 679 -2.604 5.607 9.550 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.183 7.606 11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.365 6.594 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.879 5.085 11.592 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -3.960 5.992 13.777 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.898 7.644 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.160 7.398 12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.223 5.730 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.268 6.609 14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.634 6.927 15.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.016 8.892 15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -5.777 9.155 14.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -7.361 8.847 13.626 1.00 0.00 H new ATOM 456 N ASN A 680 -0.841 4.763 12.244 1.00 0.00 N ATOM 457 CA ASN A 680 0.014 4.083 13.210 1.00 0.00 C ATOM 458 C ASN A 680 1.111 5.013 13.721 1.00 0.00 C ATOM 459 O ASN A 680 2.151 5.173 13.082 1.00 0.00 O ATOM 460 CB ASN A 680 0.641 2.837 12.577 1.00 0.00 C ATOM 461 CG ASN A 680 1.467 2.040 13.566 1.00 0.00 C ATOM 462 OD1 ASN A 680 1.399 2.265 14.774 1.00 0.00 O ATOM 463 ND2 ASN A 680 2.254 1.099 13.057 1.00 0.00 N ATOM 0 H ASN A 680 -0.942 4.272 11.355 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.605 3.784 14.056 1.00 0.00 H new ATOM 0 HB2 ASN A 680 -0.147 2.203 12.172 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.271 3.136 11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 680 2.833 0.529 13.674 1.00 0.00 H new ATOM 0 HD22 ASN A 680 2.280 0.946 12.049 1.00 0.00 H new ATOM 470 N LYS A 681 0.871 5.624 14.877 1.00 0.00 N ATOM 471 CA LYS A 681 1.839 6.538 15.474 1.00 0.00 C ATOM 472 C LYS A 681 1.519 6.783 16.945 1.00 0.00 C ATOM 473 O LYS A 681 1.726 7.883 17.460 1.00 0.00 O ATOM 474 CB LYS A 681 1.854 7.865 14.713 1.00 0.00 C ATOM 475 CG LYS A 681 3.002 8.779 15.109 1.00 0.00 C ATOM 476 CD LYS A 681 3.328 9.773 14.006 1.00 0.00 C ATOM 477 CE LYS A 681 4.049 10.994 14.552 1.00 0.00 C ATOM 478 NZ LYS A 681 4.378 11.971 13.477 1.00 0.00 N ATOM 0 H LYS A 681 0.015 5.503 15.419 1.00 0.00 H new ATOM 0 HA LYS A 681 2.825 6.079 15.408 1.00 0.00 H new ATOM 0 HB2 LYS A 681 1.915 7.661 13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.911 8.384 14.885 1.00 0.00 H new ATOM 0 HG2 LYS A 681 2.742 9.317 16.020 1.00 0.00 H new ATOM 0 HG3 LYS A 681 3.885 8.180 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 681 3.949 9.290 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 681 2.408 10.084 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 681 3.426 11.478 15.304 1.00 0.00 H new ATOM 0 HE3 LYS A 681 4.966 10.681 15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 4.869 12.789 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 4.994 11.517 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 3.501 12.289 13.017 1.00 0.00 H new ATOM 492 N GLN A 682 1.013 5.754 17.616 1.00 0.00 N ATOM 493 CA GLN A 682 0.665 5.859 19.028 1.00 0.00 C ATOM 494 C GLN A 682 1.191 4.659 19.809 1.00 0.00 C ATOM 495 O GLN A 682 0.576 4.219 20.780 1.00 0.00 O ATOM 496 CB GLN A 682 -0.852 5.963 19.194 1.00 0.00 C ATOM 497 CG GLN A 682 -1.376 7.387 19.104 1.00 0.00 C ATOM 498 CD GLN A 682 -2.708 7.563 19.809 1.00 0.00 C ATOM 499 OE1 GLN A 682 -2.853 8.417 20.682 1.00 0.00 O ATOM 500 NE2 GLN A 682 -3.689 6.752 19.430 1.00 0.00 N ATOM 0 H GLN A 682 0.835 4.838 17.205 1.00 0.00 H new ATOM 0 HA GLN A 682 1.131 6.761 19.425 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.336 5.357 18.428 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -1.134 5.541 20.159 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -0.645 8.068 19.541 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -1.484 7.665 18.056 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -3.524 6.058 18.701 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -4.608 6.823 19.868 1.00 0.00 H new ATOM 509 N ASN A 683 2.335 4.135 19.378 1.00 0.00 N ATOM 510 CA ASN A 683 2.945 2.986 20.037 1.00 0.00 C ATOM 511 C ASN A 683 4.429 3.230 20.292 1.00 0.00 C ATOM 512 O ASN A 683 4.832 4.410 20.356 1.00 0.00 O ATOM 513 CB ASN A 683 2.762 1.728 19.187 1.00 0.00 C ATOM 514 CG ASN A 683 3.420 1.847 17.827 1.00 0.00 C ATOM 515 OD1 ASN A 683 4.430 1.198 17.554 1.00 0.00 O ATOM 516 ND2 ASN A 683 2.851 2.682 16.965 1.00 0.00 N ATOM 517 OXT ASN A 683 5.176 2.238 20.427 1.00 0.00 O ATOM 0 H ASN A 683 2.857 4.488 18.576 1.00 0.00 H new ATOM 0 HA ASN A 683 2.448 2.843 20.997 1.00 0.00 H new ATOM 0 HB2 ASN A 683 3.180 0.872 19.716 1.00 0.00 H new ATOM 0 HB3 ASN A 683 1.698 1.533 19.056 1.00 0.00 H new ATOM 0 HD21 ASN A 683 3.251 2.805 16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 683 2.014 3.200 17.233 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -7.794 -12.172 -10.557 1.00 0.00 N ATOM 526 CA ARG B 405 -8.601 -13.238 -9.908 1.00 0.00 C ATOM 527 C ARG B 405 -9.186 -12.754 -8.580 1.00 0.00 C ATOM 528 O ARG B 405 -8.701 -11.784 -7.997 1.00 0.00 O ATOM 529 CB ARG B 405 -7.703 -14.459 -9.689 1.00 0.00 C ATOM 530 CG ARG B 405 -8.097 -15.661 -10.532 1.00 0.00 C ATOM 531 CD ARG B 405 -8.100 -15.325 -12.015 1.00 0.00 C ATOM 532 NE ARG B 405 -7.633 -16.443 -12.830 1.00 0.00 N ATOM 533 CZ ARG B 405 -8.379 -17.503 -13.132 1.00 0.00 C ATOM 534 NH1 ARG B 405 -9.627 -17.593 -12.689 1.00 0.00 N ATOM 535 NH2 ARG B 405 -7.877 -18.477 -13.880 1.00 0.00 N ATOM 0 HA ARG B 405 -9.439 -13.503 -10.553 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -6.672 -14.188 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -7.733 -14.738 -8.636 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -7.403 -16.481 -10.345 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -9.087 -16.007 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -9.109 -15.049 -12.322 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -7.464 -14.457 -12.191 1.00 0.00 H new ATOM 0 HE ARG B 405 -6.679 -16.410 -13.189 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -10.019 -16.847 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -10.194 -18.408 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -6.919 -18.414 -14.224 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -8.449 -19.289 -14.111 1.00 0.00 H new ATOM 550 N PRO B 406 -10.251 -13.416 -8.092 1.00 0.00 N ATOM 551 CA PRO B 406 -10.913 -13.039 -6.836 1.00 0.00 C ATOM 552 C PRO B 406 -10.014 -13.171 -5.602 1.00 0.00 C ATOM 553 O PRO B 406 -9.920 -12.241 -4.802 1.00 0.00 O ATOM 554 CB PRO B 406 -12.104 -14.001 -6.737 1.00 0.00 C ATOM 555 CG PRO B 406 -12.269 -14.579 -8.103 1.00 0.00 C ATOM 556 CD PRO B 406 -10.906 -14.566 -8.735 1.00 0.00 C ATOM 0 HA PRO B 406 -11.196 -11.987 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -11.916 -14.783 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -13.006 -13.477 -6.422 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -12.663 -15.594 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -12.975 -13.992 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -10.366 -15.494 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -10.964 -14.444 -9.817 1.00 0.00 H new ATOM 564 N PRO B 407 -9.348 -14.329 -5.412 1.00 0.00 N ATOM 565 CA PRO B 407 -8.477 -14.548 -4.250 1.00 0.00 C ATOM 566 C PRO B 407 -7.365 -13.504 -4.136 1.00 0.00 C ATOM 567 O PRO B 407 -7.178 -12.905 -3.078 1.00 0.00 O ATOM 568 CB PRO B 407 -7.886 -15.942 -4.484 1.00 0.00 C ATOM 569 CG PRO B 407 -8.814 -16.604 -5.444 1.00 0.00 C ATOM 570 CD PRO B 407 -9.395 -15.508 -6.295 1.00 0.00 C ATOM 0 HA PRO B 407 -9.035 -14.464 -3.317 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -6.877 -15.879 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -7.818 -16.503 -3.552 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -8.284 -17.333 -6.057 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -9.600 -17.144 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -8.813 -15.353 -7.203 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -10.414 -15.738 -6.605 1.00 0.00 H new ATOM 578 N PRO B 408 -6.610 -13.268 -5.226 1.00 0.00 N ATOM 579 CA PRO B 408 -5.518 -12.289 -5.231 1.00 0.00 C ATOM 580 C PRO B 408 -5.902 -10.979 -4.547 1.00 0.00 C ATOM 581 O PRO B 408 -6.481 -10.089 -5.169 1.00 0.00 O ATOM 582 CB PRO B 408 -5.269 -12.059 -6.720 1.00 0.00 C ATOM 583 CG PRO B 408 -5.649 -13.344 -7.368 1.00 0.00 C ATOM 584 CD PRO B 408 -6.759 -13.932 -6.535 1.00 0.00 C ATOM 0 HA PRO B 408 -4.646 -12.646 -4.683 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -5.869 -11.232 -7.099 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -4.225 -11.811 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -5.980 -13.178 -8.393 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -4.797 -14.022 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -7.736 -13.734 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -6.663 -15.014 -6.447 1.00 0.00 H new ATOM 592 N ALA B 409 -5.575 -10.871 -3.264 1.00 0.00 N ATOM 593 CA ALA B 409 -5.886 -9.670 -2.496 1.00 0.00 C ATOM 594 C ALA B 409 -5.304 -9.753 -1.089 1.00 0.00 C ATOM 595 O ALA B 409 -4.766 -8.775 -0.570 1.00 0.00 O ATOM 596 CB ALA B 409 -7.390 -9.458 -2.435 1.00 0.00 C ATOM 0 H ALA B 409 -5.095 -11.599 -2.734 1.00 0.00 H new ATOM 0 HA ALA B 409 -5.430 -8.818 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -7.608 -8.559 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -7.783 -9.346 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -7.859 -10.318 -1.957 1.00 0.00 H new ATOM 602 N HIS B 410 -5.416 -10.926 -0.476 1.00 0.00 N ATOM 603 CA HIS B 410 -4.900 -11.137 0.871 1.00 0.00 C ATOM 604 C HIS B 410 -3.479 -11.687 0.831 1.00 0.00 C ATOM 605 O HIS B 410 -2.537 -11.030 1.274 1.00 0.00 O ATOM 606 CB HIS B 410 -5.809 -12.096 1.643 1.00 0.00 C ATOM 607 CG HIS B 410 -6.896 -11.406 2.406 1.00 0.00 C ATOM 608 ND1 HIS B 410 -6.706 -10.221 3.085 1.00 0.00 N ATOM 609 CD2 HIS B 410 -8.195 -11.741 2.596 1.00 0.00 C ATOM 610 CE1 HIS B 410 -7.838 -9.856 3.660 1.00 0.00 C ATOM 611 NE2 HIS B 410 -8.757 -10.761 3.377 1.00 0.00 N ATOM 0 H HIS B 410 -5.860 -11.745 -0.891 1.00 0.00 H new ATOM 0 HA HIS B 410 -4.882 -10.174 1.381 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -6.258 -12.800 0.943 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -5.203 -12.679 2.337 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -8.695 -12.615 2.206 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -7.986 -8.970 4.259 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -9.728 -10.736 3.688 1.00 0.00 H new ATOM 620 N HIS B 411 -3.332 -12.896 0.296 1.00 0.00 N ATOM 621 CA HIS B 411 -2.025 -13.540 0.196 1.00 0.00 C ATOM 622 C HIS B 411 -1.491 -13.910 1.576 1.00 0.00 C ATOM 623 O HIS B 411 -1.408 -15.087 1.924 1.00 0.00 O ATOM 624 CB HIS B 411 -1.030 -12.623 -0.522 1.00 0.00 C ATOM 625 CG HIS B 411 -0.124 -13.349 -1.469 1.00 0.00 C ATOM 626 ND1 HIS B 411 0.811 -14.275 -1.056 1.00 0.00 N ATOM 627 CD2 HIS B 411 -0.014 -13.281 -2.817 1.00 0.00 C ATOM 628 CE1 HIS B 411 1.457 -14.745 -2.108 1.00 0.00 C ATOM 629 NE2 HIS B 411 0.975 -14.159 -3.188 1.00 0.00 N ATOM 0 H HIS B 411 -4.103 -13.451 -0.076 1.00 0.00 H new ATOM 0 HA HIS B 411 -2.145 -14.455 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -1.582 -11.861 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -0.425 -12.104 0.221 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -0.595 -12.654 -3.477 1.00 0.00 H new ATOM 0 HE1 HIS B 411 2.245 -15.483 -2.088 1.00 0.00 H new ATOM 0 HE2 HIS B 411 1.287 -14.330 -4.144 1.00 0.00 H new ATOM 638 N ASN B 412 -1.130 -12.897 2.358 1.00 0.00 N ATOM 639 CA ASN B 412 -0.605 -13.117 3.701 1.00 0.00 C ATOM 640 C ASN B 412 -1.235 -12.151 4.697 1.00 0.00 C ATOM 641 O ASN B 412 -0.605 -11.755 5.678 1.00 0.00 O ATOM 642 CB ASN B 412 0.916 -12.957 3.708 1.00 0.00 C ATOM 643 CG ASN B 412 1.595 -13.916 4.665 1.00 0.00 C ATOM 644 OD1 ASN B 412 1.993 -15.016 4.282 1.00 0.00 O ATOM 645 ND2 ASN B 412 1.729 -13.504 5.921 1.00 0.00 N ATOM 0 H ASN B 412 -1.191 -11.916 2.085 1.00 0.00 H new ATOM 0 HA ASN B 412 -0.858 -14.134 4.001 1.00 0.00 H new ATOM 0 HB2 ASN B 412 1.300 -13.120 2.701 1.00 0.00 H new ATOM 0 HB3 ASN B 412 1.169 -11.933 3.984 1.00 0.00 H new ATOM 0 HD21 ASN B 412 2.176 -14.108 6.611 1.00 0.00 H new ATOM 0 HD22 ASN B 412 1.384 -12.584 6.195 1.00 0.00 H new ATOM 652 N MET B 413 -2.484 -11.774 4.440 1.00 0.00 N ATOM 653 CA MET B 413 -3.200 -10.853 5.314 1.00 0.00 C ATOM 654 C MET B 413 -2.471 -9.516 5.414 1.00 0.00 C ATOM 655 O MET B 413 -2.536 -8.837 6.437 1.00 0.00 O ATOM 656 CB MET B 413 -3.362 -11.462 6.709 1.00 0.00 C ATOM 657 CG MET B 413 -4.157 -12.757 6.718 1.00 0.00 C ATOM 658 SD MET B 413 -3.715 -13.834 8.096 1.00 0.00 S ATOM 659 CE MET B 413 -4.553 -15.346 7.626 1.00 0.00 C ATOM 0 H MET B 413 -3.021 -12.093 3.633 1.00 0.00 H new ATOM 0 HA MET B 413 -4.186 -10.678 4.883 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.375 -11.648 7.132 1.00 0.00 H new ATOM 0 HB3 MET B 413 -3.855 -10.738 7.358 1.00 0.00 H new ATOM 0 HG2 MET B 413 -5.221 -12.525 6.770 1.00 0.00 H new ATOM 0 HG3 MET B 413 -3.991 -13.287 5.780 1.00 0.00 H new ATOM 0 HE1 MET B 413 -4.374 -16.111 8.382 1.00 0.00 H new ATOM 0 HE2 MET B 413 -5.624 -15.159 7.545 1.00 0.00 H new ATOM 0 HE3 MET B 413 -4.171 -15.690 6.665 1.00 0.00 H new ATOM 669 N PHE B 414 -1.778 -9.145 4.342 1.00 0.00 N ATOM 670 CA PHE B 414 -1.037 -7.889 4.308 1.00 0.00 C ATOM 671 C PHE B 414 0.014 -7.846 5.414 1.00 0.00 C ATOM 672 O PHE B 414 -0.171 -7.182 6.434 1.00 0.00 O ATOM 673 CB PHE B 414 -1.996 -6.703 4.449 1.00 0.00 C ATOM 674 CG PHE B 414 -1.413 -5.397 3.985 1.00 0.00 C ATOM 675 CD1 PHE B 414 -0.552 -4.681 4.801 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.725 -4.886 2.734 1.00 0.00 C ATOM 677 CE1 PHE B 414 -0.014 -3.480 4.377 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.190 -3.689 2.308 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.334 -2.985 3.129 1.00 0.00 C ATOM 0 H PHE B 414 -1.714 -9.696 3.486 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.527 -7.822 3.347 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.902 -6.910 3.879 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.292 -6.608 5.494 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -0.299 -5.065 5.778 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -2.395 -5.432 2.086 1.00 0.00 H new ATOM 0 HE1 PHE B 414 0.656 -2.930 5.021 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.441 -3.302 1.331 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.085 -2.047 2.796 1.00 0.00 H new ATOM 689 N SER B 415 1.117 -8.560 5.205 1.00 0.00 N ATOM 690 CA SER B 415 2.198 -8.601 6.184 1.00 0.00 C ATOM 691 C SER B 415 3.376 -7.746 5.722 1.00 0.00 C ATOM 692 O SER B 415 3.490 -6.580 6.099 1.00 0.00 O ATOM 693 CB SER B 415 2.649 -10.045 6.421 1.00 0.00 C ATOM 694 OG SER B 415 3.882 -10.088 7.118 1.00 0.00 O ATOM 0 H SER B 415 1.285 -9.117 4.367 1.00 0.00 H new ATOM 0 HA SER B 415 1.825 -8.194 7.124 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.887 -10.578 6.990 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.750 -10.559 5.465 1.00 0.00 H new ATOM 0 HG SER B 415 4.146 -11.021 7.258 1.00 0.00 H new ATOM 700 N VAL B 416 4.247 -8.325 4.897 1.00 0.00 N ATOM 701 CA VAL B 416 5.404 -7.603 4.382 1.00 0.00 C ATOM 702 C VAL B 416 5.919 -8.224 3.079 1.00 0.00 C ATOM 703 O VAL B 416 7.110 -8.510 2.947 1.00 0.00 O ATOM 704 CB VAL B 416 6.555 -7.545 5.412 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.497 -6.248 6.205 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.515 -8.750 6.343 1.00 0.00 C ATOM 0 H VAL B 416 4.172 -9.289 4.573 1.00 0.00 H new ATOM 0 HA VAL B 416 5.066 -6.586 4.182 1.00 0.00 H new ATOM 0 HB VAL B 416 7.499 -7.573 4.868 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.315 -6.225 6.925 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.588 -5.401 5.525 1.00 0.00 H new ATOM 0 HG13 VAL B 416 5.546 -6.187 6.734 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.335 -8.685 7.058 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.566 -8.764 6.880 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.615 -9.665 5.759 1.00 0.00 H new ATOM 716 N PRO B 417 5.031 -8.423 2.087 1.00 0.00 N ATOM 717 CA PRO B 417 5.410 -8.990 0.788 1.00 0.00 C ATOM 718 C PRO B 417 6.452 -8.125 0.088 1.00 0.00 C ATOM 719 O PRO B 417 6.499 -6.913 0.301 1.00 0.00 O ATOM 720 CB PRO B 417 4.103 -8.999 -0.012 1.00 0.00 C ATOM 721 CG PRO B 417 3.020 -8.892 1.005 1.00 0.00 C ATOM 722 CD PRO B 417 3.594 -8.092 2.140 1.00 0.00 C ATOM 0 HA PRO B 417 5.856 -9.979 0.888 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.066 -8.167 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.005 -9.914 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.140 -8.402 0.588 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.704 -9.879 1.344 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.421 -7.024 2.009 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.151 -8.372 3.096 1.00 0.00 H new ATOM 730 N PRO B 418 7.310 -8.721 -0.759 1.00 0.00 N ATOM 731 CA PRO B 418 8.341 -7.961 -1.467 1.00 0.00 C ATOM 732 C PRO B 418 7.712 -6.857 -2.310 1.00 0.00 C ATOM 733 O PRO B 418 6.657 -7.056 -2.914 1.00 0.00 O ATOM 734 CB PRO B 418 9.014 -9.008 -2.362 1.00 0.00 C ATOM 735 CG PRO B 418 8.695 -10.321 -1.730 1.00 0.00 C ATOM 736 CD PRO B 418 7.348 -10.155 -1.085 1.00 0.00 C ATOM 0 HA PRO B 418 9.041 -7.467 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.633 -8.958 -3.382 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.091 -8.847 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO B 418 8.676 -11.117 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.450 -10.592 -0.992 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.540 -10.437 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.249 -10.774 -0.193 1.00 0.00 H new ATOM 744 N PRO B 419 8.324 -5.662 -2.334 1.00 0.00 N ATOM 745 CA PRO B 419 7.776 -4.523 -3.077 1.00 0.00 C ATOM 746 C PRO B 419 7.862 -4.668 -4.596 1.00 0.00 C ATOM 747 O PRO B 419 8.885 -5.092 -5.135 1.00 0.00 O ATOM 748 CB PRO B 419 8.649 -3.353 -2.619 1.00 0.00 C ATOM 749 CG PRO B 419 9.927 -3.974 -2.176 1.00 0.00 C ATOM 750 CD PRO B 419 9.560 -5.316 -1.610 1.00 0.00 C ATOM 0 HA PRO B 419 6.711 -4.409 -2.877 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.815 -2.644 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.176 -2.802 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.620 -4.079 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.422 -3.356 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.345 -6.053 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.396 -5.267 -0.534 1.00 0.00 H new ATOM 758 N PRO B 420 6.781 -4.288 -5.304 1.00 0.00 N ATOM 759 CA PRO B 420 6.724 -4.344 -6.765 1.00 0.00 C ATOM 760 C PRO B 420 7.509 -3.213 -7.437 1.00 0.00 C ATOM 761 O PRO B 420 8.364 -3.466 -8.287 1.00 0.00 O ATOM 762 CB PRO B 420 5.231 -4.211 -7.064 1.00 0.00 C ATOM 763 CG PRO B 420 4.681 -3.429 -5.922 1.00 0.00 C ATOM 764 CD PRO B 420 5.527 -3.771 -4.724 1.00 0.00 C ATOM 0 HA PRO B 420 7.175 -5.259 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.062 -3.699 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.754 -5.188 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.718 -2.360 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.636 -3.684 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.708 -2.895 -4.101 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.042 -4.517 -4.094 1.00 0.00 H new ATOM 772 N ILE B 421 7.204 -1.965 -7.068 1.00 0.00 N ATOM 773 CA ILE B 421 7.879 -0.810 -7.661 1.00 0.00 C ATOM 774 C ILE B 421 8.943 -0.226 -6.728 1.00 0.00 C ATOM 775 O ILE B 421 9.391 -0.888 -5.791 1.00 0.00 O ATOM 776 CB ILE B 421 6.868 0.293 -8.100 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.512 1.247 -6.936 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.618 -0.347 -8.695 1.00 0.00 C ATOM 779 CD1 ILE B 421 5.026 1.370 -6.636 1.00 0.00 C ATOM 0 H ILE B 421 6.500 -1.731 -6.368 1.00 0.00 H new ATOM 0 HA ILE B 421 8.385 -1.175 -8.555 1.00 0.00 H new ATOM 0 HB ILE B 421 7.346 0.901 -8.868 1.00 0.00 H new ATOM 0 HG12 ILE B 421 7.022 0.903 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.904 2.238 -7.166 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.919 0.433 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.894 -0.945 -9.564 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.147 -0.987 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.878 2.060 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.507 1.747 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.626 0.391 -6.370 1.00 0.00 H new ATOM 791 N LEU B 422 9.350 1.013 -6.994 1.00 0.00 N ATOM 792 CA LEU B 422 10.361 1.676 -6.181 1.00 0.00 C ATOM 793 C LEU B 422 10.591 3.103 -6.665 1.00 0.00 C ATOM 794 O LEU B 422 11.718 3.598 -6.664 1.00 0.00 O ATOM 795 CB LEU B 422 11.676 0.893 -6.222 1.00 0.00 C ATOM 796 CG LEU B 422 12.533 1.001 -4.960 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.133 -0.063 -3.950 1.00 0.00 C ATOM 798 CD2 LEU B 422 14.009 0.878 -5.308 1.00 0.00 C ATOM 0 H LEU B 422 8.994 1.576 -7.766 1.00 0.00 H new ATOM 0 HA LEU B 422 10.001 1.711 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.450 -0.158 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.262 1.242 -7.072 1.00 0.00 H new ATOM 0 HG LEU B 422 12.364 1.980 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.754 0.030 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU B 422 11.086 0.069 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU B 422 12.272 -1.051 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU B 422 14.605 0.957 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU B 422 14.192 -0.088 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU B 422 14.288 1.676 -5.996 1.00 0.00 H new ATOM 810 N GLY B 423 9.513 3.759 -7.080 1.00 0.00 N ATOM 811 CA GLY B 423 9.613 5.121 -7.564 1.00 0.00 C ATOM 812 C GLY B 423 9.699 6.133 -6.438 1.00 0.00 C ATOM 813 O GLY B 423 8.842 7.009 -6.315 1.00 0.00 O ATOM 0 H GLY B 423 8.570 3.370 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.494 5.214 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.747 5.347 -8.186 1.00 0.00 H new ATOM 817 N ARG B 424 10.736 6.014 -5.615 1.00 0.00 N ATOM 818 CA ARG B 424 10.930 6.925 -4.493 1.00 0.00 C ATOM 819 C ARG B 424 12.410 7.056 -4.149 1.00 0.00 C ATOM 820 O ARG B 424 12.944 6.281 -3.356 1.00 0.00 O ATOM 821 CB ARG B 424 10.151 6.434 -3.271 1.00 0.00 C ATOM 822 CG ARG B 424 8.752 7.021 -3.165 1.00 0.00 C ATOM 823 CD ARG B 424 8.703 8.172 -2.173 1.00 0.00 C ATOM 824 NE ARG B 424 7.694 9.165 -2.535 1.00 0.00 N ATOM 825 CZ ARG B 424 7.871 10.096 -3.469 1.00 0.00 C ATOM 826 NH1 ARG B 424 9.016 10.166 -4.138 1.00 0.00 N ATOM 827 NH2 ARG B 424 6.901 10.960 -3.736 1.00 0.00 N ATOM 0 H ARG B 424 11.455 5.296 -5.704 1.00 0.00 H new ATOM 0 HA ARG B 424 10.555 7.906 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG B 424 10.078 5.347 -3.310 1.00 0.00 H new ATOM 0 HB3 ARG B 424 10.710 6.684 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG B 424 8.428 7.370 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG B 424 8.053 6.244 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG B 424 8.488 7.784 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG B 424 9.681 8.650 -2.124 1.00 0.00 H new ATOM 0 HE ARG B 424 6.801 9.143 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG B 424 9.765 9.504 -3.937 1.00 0.00 H new ATOM 0 HH12 ARG B 424 9.146 10.882 -4.853 1.00 0.00 H new ATOM 0 HH21 ARG B 424 6.019 10.911 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG B 424 7.037 11.674 -4.452 1.00 0.00 H new ATOM 841 N GLY B 425 13.067 8.041 -4.752 1.00 0.00 N ATOM 842 CA GLY B 425 14.479 8.255 -4.496 1.00 0.00 C ATOM 843 C GLY B 425 14.974 9.579 -5.046 1.00 0.00 C ATOM 844 O GLY B 425 15.941 10.132 -4.481 1.00 0.00 O ATOM 845 OXT GLY B 425 14.395 10.062 -6.042 1.00 0.00 O ATOM 0 H GLY B 425 12.647 8.695 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY B 425 14.660 8.221 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY B 425 15.053 7.443 -4.941 1.00 0.00 H new TER 849 GLY B 425