USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 255 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 86:sc= -0.799 USER MOD Set 1.2: A 677 THR OG1 : rot 152:sc= -0.0883 USER MOD Set 2.1: A 654 TYR OH : rot 113:sc= -0.811 USER MOD Set 2.2: A 680 ASN : amide:sc= -0.279 X(o=-1.1,f=-1.1) USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot 180:sc= 0 USER MOD Single : A 662 TYR OH : rot 30:sc= -2.4 USER MOD Single : A 664 SER OG : rot -14:sc= 0.295 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 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.4!) USER MOD Single : A 683 ASN : amide:sc= -0.0632 K(o=-0.063,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 18.616 3.006 2.646 1.00 0.00 N ATOM 2 CA GLY A 651 17.234 2.890 2.105 1.00 0.00 C ATOM 3 C GLY A 651 16.675 1.488 2.240 1.00 0.00 C ATOM 4 O GLY A 651 17.213 0.539 1.670 1.00 0.00 O ATOM 0 HA2 GLY A 651 16.582 3.590 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 651 17.233 3.179 1.054 1.00 0.00 H new ATOM 9 N ALA A 652 15.592 1.354 2.998 1.00 0.00 N ATOM 10 CA ALA A 652 14.958 0.059 3.206 1.00 0.00 C ATOM 11 C ALA A 652 13.748 -0.115 2.298 1.00 0.00 C ATOM 12 O ALA A 652 13.814 -0.804 1.281 1.00 0.00 O ATOM 13 CB ALA A 652 14.556 -0.105 4.665 1.00 0.00 C ATOM 0 H ALA A 652 15.135 2.129 3.479 1.00 0.00 H new ATOM 0 HA ALA A 652 15.682 -0.715 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 652 14.084 -1.077 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 652 15.442 -0.038 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 652 13.854 0.682 4.940 1.00 0.00 H new ATOM 19 N ASP A 653 12.643 0.517 2.674 1.00 0.00 N ATOM 20 CA ASP A 653 11.411 0.436 1.898 1.00 0.00 C ATOM 21 C ASP A 653 10.873 -0.991 1.886 1.00 0.00 C ATOM 22 O ASP A 653 11.366 -1.845 1.151 1.00 0.00 O ATOM 23 CB ASP A 653 11.648 0.921 0.466 1.00 0.00 C ATOM 24 CG ASP A 653 11.121 2.325 0.237 1.00 0.00 C ATOM 25 OD1 ASP A 653 9.939 2.574 0.554 1.00 0.00 O ATOM 26 OD2 ASP A 653 11.891 3.175 -0.259 1.00 0.00 O ATOM 0 H ASP A 653 12.575 1.093 3.513 1.00 0.00 H new ATOM 0 HA ASP A 653 10.670 1.081 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 653 12.716 0.897 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 653 11.165 0.236 -0.231 1.00 0.00 H new ATOM 31 N TYR A 654 9.863 -1.239 2.712 1.00 0.00 N ATOM 32 CA TYR A 654 9.259 -2.565 2.803 1.00 0.00 C ATOM 33 C TYR A 654 7.776 -2.510 2.519 1.00 0.00 C ATOM 34 O TYR A 654 7.265 -3.259 1.686 1.00 0.00 O ATOM 35 CB TYR A 654 9.493 -3.161 4.188 1.00 0.00 C ATOM 36 CG TYR A 654 9.404 -2.140 5.301 1.00 0.00 C ATOM 37 CD1 TYR A 654 10.450 -1.259 5.536 1.00 0.00 C ATOM 38 CD2 TYR A 654 8.280 -2.057 6.117 1.00 0.00 C ATOM 39 CE1 TYR A 654 10.383 -0.326 6.550 1.00 0.00 C ATOM 40 CE2 TYR A 654 8.206 -1.126 7.134 1.00 0.00 C ATOM 41 CZ TYR A 654 9.261 -0.264 7.349 1.00 0.00 C ATOM 42 OH TYR A 654 9.191 0.664 8.362 1.00 0.00 O ATOM 0 H TYR A 654 9.445 -0.541 3.328 1.00 0.00 H new ATOM 0 HA TYR A 654 9.732 -3.198 2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 654 8.760 -3.948 4.366 1.00 0.00 H new ATOM 0 HB3 TYR A 654 10.476 -3.630 4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 654 11.332 -1.305 4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 654 7.453 -2.731 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 654 11.206 0.353 6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 654 7.326 -1.073 7.758 1.00 0.00 H new ATOM 0 HH TYR A 654 8.495 1.322 8.155 1.00 0.00 H new ATOM 52 N SER A 655 7.085 -1.610 3.196 1.00 0.00 N ATOM 53 CA SER A 655 5.659 -1.459 2.983 1.00 0.00 C ATOM 54 C SER A 655 5.395 -0.707 1.688 1.00 0.00 C ATOM 55 O SER A 655 4.313 -0.171 1.473 1.00 0.00 O ATOM 56 CB SER A 655 5.004 -0.752 4.164 1.00 0.00 C ATOM 57 OG SER A 655 4.292 -1.675 4.970 1.00 0.00 O ATOM 0 H SER A 655 7.484 -0.979 3.891 1.00 0.00 H new ATOM 0 HA SER A 655 5.217 -2.452 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 655 5.765 -0.252 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 655 4.326 0.020 3.801 1.00 0.00 H new ATOM 0 HG SER A 655 4.902 -2.080 5.621 1.00 0.00 H new ATOM 63 N ALA A 656 6.401 -0.699 0.824 1.00 0.00 N ATOM 64 CA ALA A 656 6.310 -0.057 -0.467 1.00 0.00 C ATOM 65 C ALA A 656 6.047 -1.105 -1.520 1.00 0.00 C ATOM 66 O ALA A 656 5.195 -0.930 -2.390 1.00 0.00 O ATOM 67 CB ALA A 656 7.589 0.691 -0.797 1.00 0.00 C ATOM 0 H ALA A 656 7.303 -1.140 1.005 1.00 0.00 H new ATOM 0 HA ALA A 656 5.493 0.665 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 656 7.492 1.164 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 656 7.770 1.455 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 656 8.425 -0.008 -0.814 1.00 0.00 H new ATOM 73 N GLN A 657 6.777 -2.212 -1.425 1.00 0.00 N ATOM 74 CA GLN A 657 6.589 -3.293 -2.373 1.00 0.00 C ATOM 75 C GLN A 657 5.191 -3.861 -2.194 1.00 0.00 C ATOM 76 O GLN A 657 4.494 -4.171 -3.161 1.00 0.00 O ATOM 77 CB GLN A 657 7.651 -4.386 -2.180 1.00 0.00 C ATOM 78 CG GLN A 657 7.118 -5.807 -2.336 1.00 0.00 C ATOM 79 CD GLN A 657 8.189 -6.859 -2.123 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.137 -6.961 -2.901 1.00 0.00 O ATOM 81 NE2 GLN A 657 8.043 -7.647 -1.065 1.00 0.00 N ATOM 0 H GLN A 657 7.490 -2.379 -0.714 1.00 0.00 H new ATOM 0 HA GLN A 657 6.701 -2.909 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 657 8.453 -4.229 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 657 8.089 -4.281 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.309 -5.968 -1.623 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.692 -5.924 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 657 7.241 -7.527 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 657 8.733 -8.373 -0.871 1.00 0.00 H new ATOM 90 N TRP A 658 4.785 -3.960 -0.935 1.00 0.00 N ATOM 91 CA TRP A 658 3.464 -4.449 -0.588 1.00 0.00 C ATOM 92 C TRP A 658 2.461 -3.300 -0.627 1.00 0.00 C ATOM 93 O TRP A 658 1.307 -3.448 -0.227 1.00 0.00 O ATOM 94 CB TRP A 658 3.497 -5.096 0.803 1.00 0.00 C ATOM 95 CG TRP A 658 2.873 -6.455 0.849 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.285 -7.528 1.585 1.00 0.00 C ATOM 97 CD2 TRP A 658 1.718 -6.883 0.130 1.00 0.00 C ATOM 98 NE1 TRP A 658 2.451 -8.599 1.365 1.00 0.00 N ATOM 99 CE2 TRP A 658 1.480 -8.225 0.474 1.00 0.00 C ATOM 100 CE3 TRP A 658 0.863 -6.254 -0.771 1.00 0.00 C ATOM 101 CZ2 TRP A 658 0.416 -8.951 -0.057 1.00 0.00 C ATOM 102 CZ3 TRP A 658 -0.194 -6.972 -1.299 1.00 0.00 C ATOM 103 CH2 TRP A 658 -0.410 -8.309 -0.939 1.00 0.00 C ATOM 0 H TRP A 658 5.361 -3.705 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 658 3.154 -5.203 -1.312 1.00 0.00 H new ATOM 0 HB2 TRP A 658 4.533 -5.170 1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.981 -4.445 1.509 1.00 0.00 H new ATOM 0 HD1 TRP A 658 4.141 -7.535 2.244 1.00 0.00 H new ATOM 0 HE1 TRP A 658 2.541 -9.520 1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 658 1.023 -5.224 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 0.249 -9.982 0.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 -0.863 -6.495 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP A 658 -1.245 -8.844 -1.366 1.00 0.00 H new ATOM 114 N ALA A 659 2.908 -2.155 -1.132 1.00 0.00 N ATOM 115 CA ALA A 659 2.058 -0.992 -1.251 1.00 0.00 C ATOM 116 C ALA A 659 1.643 -0.802 -2.703 1.00 0.00 C ATOM 117 O ALA A 659 0.599 -0.235 -2.988 1.00 0.00 O ATOM 118 CB ALA A 659 2.758 0.246 -0.708 1.00 0.00 C ATOM 0 H ALA A 659 3.862 -2.015 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 659 1.159 -1.147 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 659 2.100 1.109 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 659 3.001 0.095 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 659 3.675 0.422 -1.271 1.00 0.00 H new ATOM 124 N GLU A 660 2.449 -1.304 -3.628 1.00 0.00 N ATOM 125 CA GLU A 660 2.105 -1.190 -5.036 1.00 0.00 C ATOM 126 C GLU A 660 0.976 -2.151 -5.381 1.00 0.00 C ATOM 127 O GLU A 660 0.318 -2.002 -6.410 1.00 0.00 O ATOM 128 CB GLU A 660 3.326 -1.457 -5.918 1.00 0.00 C ATOM 129 CG GLU A 660 4.254 -0.260 -6.049 1.00 0.00 C ATOM 130 CD GLU A 660 3.608 0.901 -6.778 1.00 0.00 C ATOM 131 OE1 GLU A 660 3.703 0.948 -8.022 1.00 0.00 O ATOM 132 OE2 GLU A 660 3.007 1.764 -6.104 1.00 0.00 O ATOM 0 H GLU A 660 3.328 -1.784 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 660 1.767 -0.171 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.885 -2.297 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 660 2.989 -1.755 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.563 0.066 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.157 -0.561 -6.581 1.00 0.00 H new ATOM 139 N TYR A 661 0.742 -3.132 -4.511 1.00 0.00 N ATOM 140 CA TYR A 661 -0.326 -4.091 -4.738 1.00 0.00 C ATOM 141 C TYR A 661 -1.656 -3.559 -4.223 1.00 0.00 C ATOM 142 O TYR A 661 -2.714 -4.059 -4.606 1.00 0.00 O ATOM 143 CB TYR A 661 0.003 -5.427 -4.072 1.00 0.00 C ATOM 144 CG TYR A 661 1.151 -6.177 -4.718 1.00 0.00 C ATOM 145 CD1 TYR A 661 1.597 -5.855 -5.996 1.00 0.00 C ATOM 146 CD2 TYR A 661 1.785 -7.214 -4.046 1.00 0.00 C ATOM 147 CE1 TYR A 661 2.641 -6.545 -6.582 1.00 0.00 C ATOM 148 CE2 TYR A 661 2.830 -7.906 -4.625 1.00 0.00 C ATOM 149 CZ TYR A 661 3.255 -7.569 -5.892 1.00 0.00 C ATOM 150 OH TYR A 661 4.295 -8.258 -6.472 1.00 0.00 O ATOM 0 H TYR A 661 1.274 -3.279 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 661 -0.414 -4.248 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 661 0.244 -5.248 -3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 661 -0.885 -6.058 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 661 1.119 -5.053 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 661 1.455 -7.484 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 661 2.974 -6.284 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 661 3.313 -8.709 -4.087 1.00 0.00 H new ATOM 0 HH TYR A 661 4.617 -8.947 -5.853 1.00 0.00 H new ATOM 160 N TYR A 662 -1.616 -2.540 -3.363 1.00 0.00 N ATOM 161 CA TYR A 662 -2.849 -1.976 -2.837 1.00 0.00 C ATOM 162 C TYR A 662 -3.578 -1.188 -3.913 1.00 0.00 C ATOM 163 O TYR A 662 -4.806 -1.192 -3.977 1.00 0.00 O ATOM 164 CB TYR A 662 -2.606 -1.119 -1.585 1.00 0.00 C ATOM 165 CG TYR A 662 -1.674 0.056 -1.748 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.743 0.898 -2.844 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.740 0.331 -0.777 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.895 1.982 -2.973 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.113 1.412 -0.885 1.00 0.00 C ATOM 170 CZ TYR A 662 0.034 2.235 -1.988 1.00 0.00 C ATOM 171 OH TYR A 662 0.884 3.310 -2.107 1.00 0.00 O ATOM 0 H TYR A 662 -0.760 -2.100 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 662 -3.484 -2.807 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -3.568 -0.746 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.209 -1.764 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.475 0.704 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.672 -0.312 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.960 2.625 -3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.838 1.611 -0.110 1.00 0.00 H new ATOM 0 HH TYR A 662 0.442 4.022 -2.616 1.00 0.00 H new ATOM 181 N ARG A 663 -2.814 -0.508 -4.758 1.00 0.00 N ATOM 182 CA ARG A 663 -3.390 0.289 -5.832 1.00 0.00 C ATOM 183 C ARG A 663 -3.838 -0.587 -7.000 1.00 0.00 C ATOM 184 O ARG A 663 -4.258 -0.074 -8.037 1.00 0.00 O ATOM 185 CB ARG A 663 -2.384 1.332 -6.320 1.00 0.00 C ATOM 186 CG ARG A 663 -1.119 0.730 -6.911 1.00 0.00 C ATOM 187 CD ARG A 663 -0.003 1.758 -7.007 1.00 0.00 C ATOM 188 NE ARG A 663 0.680 1.707 -8.297 1.00 0.00 N ATOM 189 CZ ARG A 663 1.433 2.694 -8.778 1.00 0.00 C ATOM 190 NH1 ARG A 663 1.603 3.809 -8.077 1.00 0.00 N ATOM 191 NH2 ARG A 663 2.018 2.566 -9.960 1.00 0.00 N ATOM 0 H ARG A 663 -1.795 -0.493 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 663 -4.268 0.796 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.862 1.961 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.113 1.980 -5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.791 -0.107 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.334 0.331 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -0.415 2.755 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 663 0.718 1.586 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 663 0.574 0.865 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 663 1.156 3.912 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 663 2.181 4.563 -8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 663 1.891 1.711 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 663 2.595 3.322 -10.328 1.00 0.00 H new ATOM 205 N SER A 664 -3.749 -1.908 -6.838 1.00 0.00 N ATOM 206 CA SER A 664 -4.151 -2.820 -7.901 1.00 0.00 C ATOM 207 C SER A 664 -5.121 -3.887 -7.406 1.00 0.00 C ATOM 208 O SER A 664 -5.980 -4.348 -8.158 1.00 0.00 O ATOM 209 CB SER A 664 -2.923 -3.478 -8.533 1.00 0.00 C ATOM 210 OG SER A 664 -2.225 -4.269 -7.587 1.00 0.00 O ATOM 0 H SER A 664 -3.406 -2.362 -5.991 1.00 0.00 H new ATOM 0 HA SER A 664 -4.671 -2.228 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 664 -3.232 -4.099 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 664 -2.259 -2.710 -8.930 1.00 0.00 H new ATOM 0 HG SER A 664 -2.542 -4.056 -6.685 1.00 0.00 H new ATOM 216 N VAL A 665 -4.994 -4.274 -6.144 1.00 0.00 N ATOM 217 CA VAL A 665 -5.875 -5.280 -5.571 1.00 0.00 C ATOM 218 C VAL A 665 -7.053 -4.618 -4.862 1.00 0.00 C ATOM 219 O VAL A 665 -7.542 -5.117 -3.848 1.00 0.00 O ATOM 220 CB VAL A 665 -5.122 -6.194 -4.581 1.00 0.00 C ATOM 221 CG1 VAL A 665 -3.919 -6.835 -5.256 1.00 0.00 C ATOM 222 CG2 VAL A 665 -4.696 -5.417 -3.343 1.00 0.00 C ATOM 0 H VAL A 665 -4.292 -3.908 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 665 -6.245 -5.894 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 665 -5.800 -6.986 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -3.400 -7.476 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -4.253 -7.432 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -3.240 -6.057 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 665 -4.167 -6.082 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -4.038 -4.599 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -5.578 -5.013 -2.846 1.00 0.00 H new ATOM 232 N GLY A 666 -7.494 -3.484 -5.400 1.00 0.00 N ATOM 233 CA GLY A 666 -8.600 -2.760 -4.802 1.00 0.00 C ATOM 234 C GLY A 666 -8.298 -2.349 -3.384 1.00 0.00 C ATOM 235 O GLY A 666 -9.193 -2.277 -2.543 1.00 0.00 O ATOM 0 H GLY A 666 -7.105 -3.054 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -8.820 -1.874 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -9.494 -3.384 -4.817 1.00 0.00 H new ATOM 239 N LYS A 667 -7.027 -2.077 -3.118 1.00 0.00 N ATOM 240 CA LYS A 667 -6.608 -1.667 -1.786 1.00 0.00 C ATOM 241 C LYS A 667 -6.146 -0.220 -1.774 1.00 0.00 C ATOM 242 O LYS A 667 -5.446 0.210 -0.864 1.00 0.00 O ATOM 243 CB LYS A 667 -5.495 -2.579 -1.265 1.00 0.00 C ATOM 244 CG LYS A 667 -5.850 -3.301 0.024 1.00 0.00 C ATOM 245 CD LYS A 667 -4.979 -4.530 0.233 1.00 0.00 C ATOM 246 CE LYS A 667 -3.538 -4.147 0.532 1.00 0.00 C ATOM 247 NZ LYS A 667 -2.876 -5.134 1.428 1.00 0.00 N ATOM 0 H LYS A 667 -6.273 -2.133 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 667 -7.472 -1.754 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.254 -3.317 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.596 -1.984 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.730 -2.621 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.899 -3.597 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.377 -5.124 1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -5.013 -5.157 -0.658 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -2.981 -4.073 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -3.513 -3.161 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -1.896 -4.837 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -3.393 -5.186 2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -2.877 -6.070 0.974 1.00 0.00 H new ATOM 261 N ILE A 668 -6.545 0.527 -2.788 1.00 0.00 N ATOM 262 CA ILE A 668 -6.171 1.933 -2.892 1.00 0.00 C ATOM 263 C ILE A 668 -6.488 2.689 -1.607 1.00 0.00 C ATOM 264 O ILE A 668 -5.778 3.623 -1.237 1.00 0.00 O ATOM 265 CB ILE A 668 -6.881 2.623 -4.077 1.00 0.00 C ATOM 266 CG1 ILE A 668 -6.651 4.138 -4.040 1.00 0.00 C ATOM 267 CG2 ILE A 668 -8.368 2.310 -4.054 1.00 0.00 C ATOM 268 CD1 ILE A 668 -5.194 4.529 -3.939 1.00 0.00 C ATOM 0 H ILE A 668 -7.128 0.187 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 668 -5.095 1.958 -3.063 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.457 2.237 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -7.076 4.583 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -7.190 4.558 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -8.857 2.803 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -8.514 1.233 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -8.801 2.670 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -5.109 5.616 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -4.768 4.114 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.652 4.140 -4.801 1.00 0.00 H new ATOM 280 N GLU A 669 -7.550 2.285 -0.924 1.00 0.00 N ATOM 281 CA GLU A 669 -7.924 2.942 0.325 1.00 0.00 C ATOM 282 C GLU A 669 -7.104 2.384 1.472 1.00 0.00 C ATOM 283 O GLU A 669 -6.480 3.137 2.219 1.00 0.00 O ATOM 284 CB GLU A 669 -9.422 2.795 0.595 1.00 0.00 C ATOM 285 CG GLU A 669 -9.891 1.352 0.709 1.00 0.00 C ATOM 286 CD GLU A 669 -9.831 0.827 2.131 1.00 0.00 C ATOM 287 OE1 GLU A 669 -9.212 1.497 2.986 1.00 0.00 O ATOM 288 OE2 GLU A 669 -10.403 -0.252 2.390 1.00 0.00 O ATOM 0 H GLU A 669 -8.161 1.518 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 669 -7.711 4.007 0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.668 3.320 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.975 3.284 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -10.914 1.277 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -9.275 0.722 0.067 1.00 0.00 H new ATOM 295 N GLU A 670 -7.059 1.064 1.581 1.00 0.00 N ATOM 296 CA GLU A 670 -6.253 0.436 2.611 1.00 0.00 C ATOM 297 C GLU A 670 -4.788 0.755 2.340 1.00 0.00 C ATOM 298 O GLU A 670 -3.935 0.628 3.220 1.00 0.00 O ATOM 299 CB GLU A 670 -6.481 -1.077 2.634 1.00 0.00 C ATOM 300 CG GLU A 670 -7.366 -1.542 3.779 1.00 0.00 C ATOM 301 CD GLU A 670 -6.571 -1.932 5.010 1.00 0.00 C ATOM 302 OE1 GLU A 670 -5.657 -1.172 5.392 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.863 -2.999 5.590 1.00 0.00 O ATOM 0 H GLU A 670 -7.565 0.417 0.976 1.00 0.00 H new ATOM 0 HA GLU A 670 -6.541 0.824 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.932 -1.382 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.517 -1.580 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.065 -0.747 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.961 -2.394 3.450 1.00 0.00 H new ATOM 310 N ALA A 671 -4.511 1.191 1.107 1.00 0.00 N ATOM 311 CA ALA A 671 -3.171 1.555 0.702 1.00 0.00 C ATOM 312 C ALA A 671 -2.592 2.597 1.641 1.00 0.00 C ATOM 313 O ALA A 671 -1.442 2.494 2.058 1.00 0.00 O ATOM 314 CB ALA A 671 -3.178 2.086 -0.719 1.00 0.00 C ATOM 0 H ALA A 671 -5.212 1.297 0.374 1.00 0.00 H new ATOM 0 HA ALA A 671 -2.546 0.663 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.163 2.356 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.557 1.318 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.818 2.966 -0.775 1.00 0.00 H new ATOM 320 N GLU A 672 -3.396 3.607 1.968 1.00 0.00 N ATOM 321 CA GLU A 672 -2.943 4.672 2.861 1.00 0.00 C ATOM 322 C GLU A 672 -2.224 4.111 4.087 1.00 0.00 C ATOM 323 O GLU A 672 -1.258 4.700 4.572 1.00 0.00 O ATOM 324 CB GLU A 672 -4.123 5.543 3.297 1.00 0.00 C ATOM 325 CG GLU A 672 -4.654 6.443 2.194 1.00 0.00 C ATOM 326 CD GLU A 672 -5.767 7.356 2.672 1.00 0.00 C ATOM 327 OE1 GLU A 672 -6.741 6.845 3.263 1.00 0.00 O ATOM 328 OE2 GLU A 672 -5.664 8.582 2.455 1.00 0.00 O ATOM 0 H GLU A 672 -4.354 3.710 1.633 1.00 0.00 H new ATOM 0 HA GLU A 672 -2.232 5.285 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.929 4.899 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -3.816 6.160 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -3.838 7.047 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -5.021 5.827 1.373 1.00 0.00 H new ATOM 335 N ALA A 673 -2.689 2.969 4.577 1.00 0.00 N ATOM 336 CA ALA A 673 -2.073 2.334 5.738 1.00 0.00 C ATOM 337 C ALA A 673 -0.765 1.669 5.360 1.00 0.00 C ATOM 338 O ALA A 673 0.267 1.867 6.001 1.00 0.00 O ATOM 339 CB ALA A 673 -3.002 1.287 6.322 1.00 0.00 C ATOM 0 H ALA A 673 -3.487 2.464 4.192 1.00 0.00 H new ATOM 0 HA ALA A 673 -1.881 3.112 6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -2.529 0.822 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -3.935 1.759 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -3.211 0.526 5.570 1.00 0.00 H new ATOM 345 N ILE A 674 -0.835 0.866 4.316 1.00 0.00 N ATOM 346 CA ILE A 674 0.314 0.135 3.824 1.00 0.00 C ATOM 347 C ILE A 674 1.304 1.081 3.140 1.00 0.00 C ATOM 348 O ILE A 674 2.439 0.702 2.855 1.00 0.00 O ATOM 349 CB ILE A 674 -0.133 -1.035 2.887 1.00 0.00 C ATOM 350 CG1 ILE A 674 0.719 -1.134 1.631 1.00 0.00 C ATOM 351 CG2 ILE A 674 -1.593 -0.897 2.489 1.00 0.00 C ATOM 352 CD1 ILE A 674 2.058 -1.756 1.868 1.00 0.00 C ATOM 0 H ILE A 674 -1.691 0.703 3.786 1.00 0.00 H new ATOM 0 HA ILE A 674 0.833 -0.315 4.671 1.00 0.00 H new ATOM 0 HB ILE A 674 0.003 -1.949 3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 674 0.183 -1.718 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 674 0.859 -0.136 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -1.873 -1.725 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -2.217 -0.911 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -1.739 0.045 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 674 2.612 -1.795 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 674 2.613 -1.160 2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 674 1.926 -2.767 2.254 1.00 0.00 H new ATOM 364 N GLU A 675 0.880 2.322 2.903 1.00 0.00 N ATOM 365 CA GLU A 675 1.747 3.309 2.283 1.00 0.00 C ATOM 366 C GLU A 675 2.438 4.159 3.343 1.00 0.00 C ATOM 367 O GLU A 675 3.396 4.874 3.050 1.00 0.00 O ATOM 368 CB GLU A 675 0.949 4.201 1.332 1.00 0.00 C ATOM 369 CG GLU A 675 1.733 4.648 0.112 1.00 0.00 C ATOM 370 CD GLU A 675 2.659 5.812 0.408 1.00 0.00 C ATOM 371 OE1 GLU A 675 2.150 6.916 0.694 1.00 0.00 O ATOM 372 OE2 GLU A 675 3.892 5.621 0.352 1.00 0.00 O ATOM 0 H GLU A 675 -0.054 2.661 3.131 1.00 0.00 H new ATOM 0 HA GLU A 675 2.509 2.780 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 675 0.060 3.663 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 675 0.607 5.082 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 675 2.318 3.810 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 675 1.038 4.933 -0.678 1.00 0.00 H new ATOM 379 N LYS A 676 1.955 4.071 4.578 1.00 0.00 N ATOM 380 CA LYS A 676 2.543 4.825 5.673 1.00 0.00 C ATOM 381 C LYS A 676 3.582 3.988 6.409 1.00 0.00 C ATOM 382 O LYS A 676 4.310 4.500 7.260 1.00 0.00 O ATOM 383 CB LYS A 676 1.459 5.295 6.645 1.00 0.00 C ATOM 384 CG LYS A 676 1.812 6.583 7.374 1.00 0.00 C ATOM 385 CD LYS A 676 0.805 7.684 7.085 1.00 0.00 C ATOM 386 CE LYS A 676 1.146 8.962 7.836 1.00 0.00 C ATOM 387 NZ LYS A 676 1.945 9.901 7.001 1.00 0.00 N ATOM 0 H LYS A 676 1.162 3.487 4.842 1.00 0.00 H new ATOM 0 HA LYS A 676 3.039 5.700 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 676 0.529 5.441 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 676 1.276 4.510 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 676 1.849 6.396 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 676 2.807 6.911 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 676 0.782 7.885 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -0.193 7.349 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 676 0.226 9.452 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 676 1.704 8.714 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 2.157 10.759 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 2.835 9.443 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 1.403 10.158 6.152 1.00 0.00 H new ATOM 401 N THR A 677 3.662 2.701 6.073 1.00 0.00 N ATOM 402 CA THR A 677 4.632 1.822 6.708 1.00 0.00 C ATOM 403 C THR A 677 5.959 1.870 5.960 1.00 0.00 C ATOM 404 O THR A 677 7.017 1.645 6.547 1.00 0.00 O ATOM 405 CB THR A 677 4.105 0.388 6.773 1.00 0.00 C ATOM 406 OG1 THR A 677 3.064 0.192 5.832 1.00 0.00 O ATOM 407 CG2 THR A 677 3.562 0.014 8.136 1.00 0.00 C ATOM 0 H THR A 677 3.072 2.252 5.372 1.00 0.00 H new ATOM 0 HA THR A 677 4.794 2.170 7.728 1.00 0.00 H new ATOM 0 HB THR A 677 4.964 -0.246 6.551 1.00 0.00 H new ATOM 0 HG1 THR A 677 3.043 -0.749 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 677 3.204 -1.015 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 677 4.352 0.108 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 677 2.738 0.679 8.395 1.00 0.00 H new ATOM 415 N LEU A 678 5.905 2.172 4.661 1.00 0.00 N ATOM 416 CA LEU A 678 7.123 2.254 3.861 1.00 0.00 C ATOM 417 C LEU A 678 7.949 3.475 4.247 1.00 0.00 C ATOM 418 O LEU A 678 9.148 3.525 3.980 1.00 0.00 O ATOM 419 CB LEU A 678 6.804 2.299 2.367 1.00 0.00 C ATOM 420 CG LEU A 678 5.826 3.390 1.936 1.00 0.00 C ATOM 421 CD1 LEU A 678 6.571 4.669 1.592 1.00 0.00 C ATOM 422 CD2 LEU A 678 5.003 2.912 0.751 1.00 0.00 C ATOM 0 H LEU A 678 5.043 2.361 4.149 1.00 0.00 H new ATOM 0 HA LEU A 678 7.705 1.355 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 678 7.736 2.433 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 678 6.396 1.332 2.071 1.00 0.00 H new ATOM 0 HG LEU A 678 5.151 3.604 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 678 5.858 5.435 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 678 7.123 5.015 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 678 7.267 4.476 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 678 4.308 3.696 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 678 5.666 2.676 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 678 4.443 2.020 1.033 1.00 0.00 H new ATOM 434 N LYS A 679 7.305 4.458 4.877 1.00 0.00 N ATOM 435 CA LYS A 679 7.999 5.670 5.297 1.00 0.00 C ATOM 436 C LYS A 679 9.024 5.354 6.384 1.00 0.00 C ATOM 437 O LYS A 679 8.870 5.760 7.537 1.00 0.00 O ATOM 438 CB LYS A 679 6.996 6.708 5.805 1.00 0.00 C ATOM 439 CG LYS A 679 5.970 7.121 4.762 1.00 0.00 C ATOM 440 CD LYS A 679 5.360 8.476 5.086 1.00 0.00 C ATOM 441 CE LYS A 679 4.885 9.189 3.831 1.00 0.00 C ATOM 442 NZ LYS A 679 5.780 10.319 3.459 1.00 0.00 N ATOM 0 H LYS A 679 6.311 4.437 5.105 1.00 0.00 H new ATOM 0 HA LYS A 679 8.524 6.080 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 679 6.477 6.305 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 679 7.538 7.592 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 679 6.442 7.159 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 679 5.182 6.370 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 679 4.522 8.344 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 679 6.096 9.094 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 679 4.837 8.478 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 679 3.874 9.564 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 5.420 10.778 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 5.806 11.011 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 6.740 9.959 3.284 1.00 0.00 H new ATOM 456 N ASN A 680 10.069 4.622 6.008 1.00 0.00 N ATOM 457 CA ASN A 680 11.120 4.243 6.944 1.00 0.00 C ATOM 458 C ASN A 680 12.476 4.768 6.481 1.00 0.00 C ATOM 459 O ASN A 680 12.676 5.042 5.298 1.00 0.00 O ATOM 460 CB ASN A 680 11.174 2.720 7.094 1.00 0.00 C ATOM 461 CG ASN A 680 12.035 2.284 8.263 1.00 0.00 C ATOM 462 OD1 ASN A 680 13.104 1.702 8.079 1.00 0.00 O ATOM 463 ND2 ASN A 680 11.572 2.565 9.475 1.00 0.00 N ATOM 0 H ASN A 680 10.210 4.279 5.058 1.00 0.00 H new ATOM 0 HA ASN A 680 10.889 4.689 7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 680 10.163 2.335 7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 680 11.564 2.281 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 680 12.108 2.297 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 680 10.680 3.049 9.581 1.00 0.00 H new ATOM 470 N LYS A 681 13.404 4.908 7.422 1.00 0.00 N ATOM 471 CA LYS A 681 14.741 5.400 7.111 1.00 0.00 C ATOM 472 C LYS A 681 15.795 4.338 7.405 1.00 0.00 C ATOM 473 O LYS A 681 16.449 3.829 6.495 1.00 0.00 O ATOM 474 CB LYS A 681 15.040 6.668 7.914 1.00 0.00 C ATOM 475 CG LYS A 681 13.929 7.705 7.850 1.00 0.00 C ATOM 476 CD LYS A 681 14.457 9.067 7.428 1.00 0.00 C ATOM 477 CE LYS A 681 13.458 9.806 6.553 1.00 0.00 C ATOM 478 NZ LYS A 681 13.395 11.256 6.885 1.00 0.00 N ATOM 0 H LYS A 681 13.254 4.688 8.407 1.00 0.00 H new ATOM 0 HA LYS A 681 14.776 5.635 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 681 15.213 6.396 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 681 15.963 7.113 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 681 13.164 7.377 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 681 13.450 7.786 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 681 14.677 9.663 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 681 15.395 8.943 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 681 13.734 9.685 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 681 12.470 9.362 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 12.702 11.724 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 13.107 11.373 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 14.332 11.686 6.744 1.00 0.00 H new ATOM 492 N GLN A 682 15.955 4.007 8.682 1.00 0.00 N ATOM 493 CA GLN A 682 16.930 3.005 9.096 1.00 0.00 C ATOM 494 C GLN A 682 16.723 2.615 10.556 1.00 0.00 C ATOM 495 O GLN A 682 16.540 1.440 10.876 1.00 0.00 O ATOM 496 CB GLN A 682 18.352 3.531 8.890 1.00 0.00 C ATOM 497 CG GLN A 682 18.996 3.054 7.600 1.00 0.00 C ATOM 498 CD GLN A 682 20.117 2.059 7.839 1.00 0.00 C ATOM 499 OE1 GLN A 682 20.687 2.001 8.928 1.00 0.00 O ATOM 500 NE2 GLN A 682 20.438 1.273 6.819 1.00 0.00 N ATOM 0 H GLN A 682 15.422 4.418 9.448 1.00 0.00 H new ATOM 0 HA GLN A 682 16.787 2.118 8.479 1.00 0.00 H new ATOM 0 HB2 GLN A 682 18.331 4.621 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 682 18.971 3.220 9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 682 18.236 2.595 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 682 19.388 3.913 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 682 19.938 1.356 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 682 21.185 0.586 6.920 1.00 0.00 H new ATOM 509 N ASN A 683 16.753 3.609 11.439 1.00 0.00 N ATOM 510 CA ASN A 683 16.569 3.370 12.865 1.00 0.00 C ATOM 511 C ASN A 683 15.229 3.921 13.341 1.00 0.00 C ATOM 512 O ASN A 683 15.012 3.966 14.570 1.00 0.00 O ATOM 513 CB ASN A 683 17.712 4.007 13.661 1.00 0.00 C ATOM 514 CG ASN A 683 18.285 3.065 14.702 1.00 0.00 C ATOM 515 OD1 ASN A 683 17.593 2.182 15.206 1.00 0.00 O ATOM 516 ND2 ASN A 683 19.559 3.251 15.029 1.00 0.00 N ATOM 517 OXT ASN A 683 14.409 4.304 12.481 1.00 0.00 O ATOM 0 H ASN A 683 16.903 4.587 11.191 1.00 0.00 H new ATOM 0 HA ASN A 683 16.576 2.293 13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 683 18.503 4.312 12.976 1.00 0.00 H new ATOM 0 HB3 ASN A 683 17.350 4.910 14.152 1.00 0.00 H new ATOM 0 HD21 ASN A 683 20.000 2.648 15.724 1.00 0.00 H new ATOM 0 HD22 ASN A 683 20.096 3.996 14.585 1.00 0.00 H new TER 524 ASN A 683