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 Single : A 654 TYR OH : rot 86:sc= 0.698! USER MOD Single : A 655 SER OG : rot 152:sc= -3.11! USER MOD Single : A 657 GLN : amide:sc= -0.235 K(o=-0.24,f=-2.6!) USER MOD Single : A 661 TYR OH : rot -10:sc= 0.0273 USER MOD Single : A 662 TYR OH : rot -138:sc= 1.67 USER MOD Single : A 664 SER OG : rot 7:sc= 0.927 USER MOD Single : A 667 LYS NZ :NH3+ -179:sc= -0.351 (180deg=-0.352) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 73:sc= -1.14! USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.88) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 683 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : B 410 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.013) USER MOD Single : B 411 HIS : no HD1:sc= -0.304 X(o=-0.3,f=0.0038) USER MOD Single : B 412 ASN : amide:sc= 0 X(o=0,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= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 5.520 3.495 15.578 1.00 0.00 N ATOM 2 CA GLY A 651 5.144 2.200 14.946 1.00 0.00 C ATOM 3 C GLY A 651 5.765 2.022 13.575 1.00 0.00 C ATOM 4 O GLY A 651 6.805 2.609 13.275 1.00 0.00 O ATOM 0 HA2 GLY A 651 5.456 1.380 15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 651 4.059 2.143 14.860 1.00 0.00 H new ATOM 9 N ALA A 652 5.125 1.211 12.738 1.00 0.00 N ATOM 10 CA ALA A 652 5.620 0.958 11.390 1.00 0.00 C ATOM 11 C ALA A 652 4.935 1.864 10.374 1.00 0.00 C ATOM 12 O ALA A 652 3.994 1.453 9.696 1.00 0.00 O ATOM 13 CB ALA A 652 5.414 -0.503 11.019 1.00 0.00 C ATOM 0 H ALA A 652 4.263 0.718 12.970 1.00 0.00 H new ATOM 0 HA ALA A 652 6.687 1.180 11.374 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.788 -0.678 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.955 -1.137 11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.351 -0.742 11.059 1.00 0.00 H new ATOM 19 N ASP A 653 5.412 3.101 10.274 1.00 0.00 N ATOM 20 CA ASP A 653 4.844 4.064 9.338 1.00 0.00 C ATOM 21 C ASP A 653 5.327 3.791 7.919 1.00 0.00 C ATOM 22 O ASP A 653 6.173 4.511 7.388 1.00 0.00 O ATOM 23 CB ASP A 653 5.210 5.490 9.754 1.00 0.00 C ATOM 24 CG ASP A 653 4.225 6.074 10.748 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.521 5.288 11.417 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.159 7.316 10.859 1.00 0.00 O ATOM 0 H ASP A 653 6.189 3.459 10.829 1.00 0.00 H new ATOM 0 HA ASP A 653 3.759 3.958 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 653 6.208 5.493 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.248 6.125 8.869 1.00 0.00 H new ATOM 31 N TYR A 654 4.781 2.744 7.314 1.00 0.00 N ATOM 32 CA TYR A 654 5.149 2.364 5.952 1.00 0.00 C ATOM 33 C TYR A 654 3.965 2.483 4.996 1.00 0.00 C ATOM 34 O TYR A 654 4.137 2.425 3.779 1.00 0.00 O ATOM 35 CB TYR A 654 5.704 0.933 5.923 1.00 0.00 C ATOM 36 CG TYR A 654 4.709 -0.150 6.317 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.525 0.150 6.989 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.965 -1.486 6.019 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.638 -0.834 7.349 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.074 -2.480 6.379 1.00 0.00 C ATOM 41 CZ TYR A 654 2.913 -2.149 7.044 1.00 0.00 C ATOM 42 OH TYR A 654 2.025 -3.136 7.405 1.00 0.00 O ATOM 0 H TYR A 654 4.080 2.140 7.744 1.00 0.00 H new ATOM 0 HA TYR A 654 5.923 3.055 5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.070 0.721 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.562 0.878 6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.301 1.178 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.874 -1.750 5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.727 -0.578 7.870 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.287 -3.512 6.140 1.00 0.00 H new ATOM 0 HH TYR A 654 1.343 -3.234 6.708 1.00 0.00 H new ATOM 52 N SER A 655 2.768 2.656 5.549 1.00 0.00 N ATOM 53 CA SER A 655 1.557 2.783 4.748 1.00 0.00 C ATOM 54 C SER A 655 1.753 3.761 3.593 1.00 0.00 C ATOM 55 O SER A 655 1.124 3.628 2.547 1.00 0.00 O ATOM 56 CB SER A 655 0.395 3.226 5.644 1.00 0.00 C ATOM 57 OG SER A 655 -0.363 4.264 5.047 1.00 0.00 O ATOM 0 H SER A 655 2.612 2.712 6.555 1.00 0.00 H new ATOM 0 HA SER A 655 1.325 1.811 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.253 2.373 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 655 0.785 3.566 6.603 1.00 0.00 H new ATOM 0 HG SER A 655 -1.287 4.222 5.371 1.00 0.00 H new ATOM 63 N ALA A 656 2.628 4.737 3.778 1.00 0.00 N ATOM 64 CA ALA A 656 2.885 5.716 2.734 1.00 0.00 C ATOM 65 C ALA A 656 3.527 5.064 1.529 1.00 0.00 C ATOM 66 O ALA A 656 2.923 4.972 0.459 1.00 0.00 O ATOM 67 CB ALA A 656 3.771 6.838 3.248 1.00 0.00 C ATOM 0 H ALA A 656 3.168 4.872 4.633 1.00 0.00 H new ATOM 0 HA ALA A 656 1.926 6.138 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.948 7.557 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.278 7.337 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.723 6.426 3.583 1.00 0.00 H new ATOM 73 N GLN A 657 4.754 4.613 1.708 1.00 0.00 N ATOM 74 CA GLN A 657 5.475 3.970 0.628 1.00 0.00 C ATOM 75 C GLN A 657 4.840 2.629 0.288 1.00 0.00 C ATOM 76 O GLN A 657 5.057 2.088 -0.796 1.00 0.00 O ATOM 77 CB GLN A 657 6.948 3.783 0.996 1.00 0.00 C ATOM 78 CG GLN A 657 7.824 3.390 -0.183 1.00 0.00 C ATOM 79 CD GLN A 657 8.604 4.562 -0.745 1.00 0.00 C ATOM 80 OE1 GLN A 657 8.748 5.596 -0.094 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.112 4.405 -1.962 1.00 0.00 N ATOM 0 H GLN A 657 5.269 4.680 2.586 1.00 0.00 H new ATOM 0 HA GLN A 657 5.420 4.614 -0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.327 4.710 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.027 3.017 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.520 2.611 0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.200 2.963 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 657 8.968 3.530 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 657 9.646 5.159 -2.393 1.00 0.00 H new ATOM 90 N TRP A 658 4.041 2.096 1.209 1.00 0.00 N ATOM 91 CA TRP A 658 3.374 0.829 0.969 1.00 0.00 C ATOM 92 C TRP A 658 2.112 1.061 0.163 1.00 0.00 C ATOM 93 O TRP A 658 1.765 0.260 -0.701 1.00 0.00 O ATOM 94 CB TRP A 658 3.055 0.105 2.279 1.00 0.00 C ATOM 95 CG TRP A 658 4.015 -1.006 2.572 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.714 -2.247 3.055 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.436 -0.979 2.392 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.861 -2.994 3.184 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.931 -2.235 2.784 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.339 -0.012 1.937 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.286 -2.549 2.733 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.684 -0.326 1.888 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.146 -1.586 2.283 1.00 0.00 C ATOM 0 H TRP A 658 3.844 2.519 2.116 1.00 0.00 H new ATOM 0 HA TRP A 658 4.049 0.188 0.401 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.074 0.822 3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.043 -0.298 2.230 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.720 -2.592 3.300 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.908 -3.955 3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.991 0.963 1.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.646 -3.520 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.390 0.413 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.203 -1.802 2.231 1.00 0.00 H new ATOM 114 N ALA A 659 1.440 2.180 0.419 1.00 0.00 N ATOM 115 CA ALA A 659 0.239 2.505 -0.328 1.00 0.00 C ATOM 116 C ALA A 659 0.625 2.882 -1.751 1.00 0.00 C ATOM 117 O ALA A 659 -0.071 2.541 -2.707 1.00 0.00 O ATOM 118 CB ALA A 659 -0.538 3.630 0.340 1.00 0.00 C ATOM 0 H ALA A 659 1.705 2.864 1.127 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.414 1.632 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.432 3.851 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.827 3.325 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.088 4.521 0.396 1.00 0.00 H new ATOM 124 N GLU A 660 1.764 3.570 -1.885 1.00 0.00 N ATOM 125 CA GLU A 660 2.262 3.974 -3.195 1.00 0.00 C ATOM 126 C GLU A 660 2.319 2.770 -4.123 1.00 0.00 C ATOM 127 O GLU A 660 2.159 2.891 -5.338 1.00 0.00 O ATOM 128 CB GLU A 660 3.649 4.626 -3.090 1.00 0.00 C ATOM 129 CG GLU A 660 4.810 3.645 -2.969 1.00 0.00 C ATOM 130 CD GLU A 660 5.763 3.723 -4.146 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.900 4.820 -4.727 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.373 2.687 -4.486 1.00 0.00 O ATOM 0 H GLU A 660 2.353 3.856 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 660 1.574 4.714 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.809 5.250 -3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.659 5.288 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.358 3.847 -2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.418 2.631 -2.890 1.00 0.00 H new ATOM 139 N TYR A 661 2.545 1.605 -3.529 1.00 0.00 N ATOM 140 CA TYR A 661 2.620 0.365 -4.277 1.00 0.00 C ATOM 141 C TYR A 661 1.245 -0.032 -4.765 1.00 0.00 C ATOM 142 O TYR A 661 0.999 -0.121 -5.965 1.00 0.00 O ATOM 143 CB TYR A 661 3.212 -0.733 -3.399 1.00 0.00 C ATOM 144 CG TYR A 661 4.709 -0.650 -3.322 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.451 -0.541 -4.480 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.377 -0.666 -2.106 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.819 -0.451 -4.446 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.755 -0.577 -2.055 1.00 0.00 C ATOM 149 CZ TYR A 661 7.473 -0.470 -3.231 1.00 0.00 C ATOM 150 OH TYR A 661 8.845 -0.381 -3.191 1.00 0.00 O ATOM 0 H TYR A 661 2.680 1.497 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 661 3.266 0.508 -5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.793 -0.659 -2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.923 -1.707 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.944 -0.526 -5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.813 -0.749 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.381 -0.366 -5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.267 -0.591 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 661 9.205 -0.471 -4.098 1.00 0.00 H new ATOM 160 N TYR A 662 0.342 -0.230 -3.821 1.00 0.00 N ATOM 161 CA TYR A 662 -1.024 -0.584 -4.143 1.00 0.00 C ATOM 162 C TYR A 662 -1.668 0.525 -4.960 1.00 0.00 C ATOM 163 O TYR A 662 -2.707 0.324 -5.590 1.00 0.00 O ATOM 164 CB TYR A 662 -1.794 -0.841 -2.855 1.00 0.00 C ATOM 165 CG TYR A 662 -1.035 -1.724 -1.902 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.881 -3.082 -2.141 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.448 -1.187 -0.774 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.165 -3.880 -1.271 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.271 -1.969 0.101 1.00 0.00 C ATOM 170 CZ TYR A 662 0.411 -3.319 -0.149 1.00 0.00 C ATOM 171 OH TYR A 662 1.129 -4.106 0.722 1.00 0.00 O ATOM 0 H TYR A 662 0.534 -0.151 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.040 -1.494 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.013 0.110 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.751 -1.305 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.328 -3.521 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.555 -0.131 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.056 -4.936 -1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.723 -1.529 0.978 1.00 0.00 H new ATOM 0 HH TYR A 662 0.905 -3.862 1.644 1.00 0.00 H new ATOM 181 N ARG A 663 -1.032 1.697 -4.961 1.00 0.00 N ATOM 182 CA ARG A 663 -1.533 2.824 -5.720 1.00 0.00 C ATOM 183 C ARG A 663 -1.312 2.610 -7.208 1.00 0.00 C ATOM 184 O ARG A 663 -1.915 3.291 -8.036 1.00 0.00 O ATOM 185 CB ARG A 663 -0.854 4.134 -5.285 1.00 0.00 C ATOM 186 CG ARG A 663 -1.452 4.804 -4.052 1.00 0.00 C ATOM 187 CD ARG A 663 -2.944 4.557 -3.927 1.00 0.00 C ATOM 188 NE ARG A 663 -3.618 5.610 -3.169 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.759 5.602 -1.845 1.00 0.00 C ATOM 190 NH1 ARG A 663 -3.268 4.604 -1.120 1.00 0.00 N ATOM 191 NH2 ARG A 663 -4.393 6.598 -1.242 1.00 0.00 N ATOM 0 H ARG A 663 -0.172 1.882 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.602 2.901 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 663 0.199 3.931 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.895 4.838 -6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.949 4.432 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.267 5.877 -4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.384 4.490 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -3.112 3.597 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 663 -4.004 6.400 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.778 3.835 -1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.381 4.606 -0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -4.772 7.369 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -4.502 6.593 -0.228 1.00 0.00 H new ATOM 205 N SER A 664 -0.445 1.665 -7.547 1.00 0.00 N ATOM 206 CA SER A 664 -0.159 1.377 -8.939 1.00 0.00 C ATOM 207 C SER A 664 0.326 -0.052 -9.130 1.00 0.00 C ATOM 208 O SER A 664 0.941 -0.383 -10.144 1.00 0.00 O ATOM 209 CB SER A 664 0.849 2.378 -9.481 1.00 0.00 C ATOM 210 OG SER A 664 1.435 1.924 -10.689 1.00 0.00 O ATOM 0 H SER A 664 0.068 1.090 -6.879 1.00 0.00 H new ATOM 0 HA SER A 664 -1.086 1.474 -9.504 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.357 3.335 -9.652 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.629 2.549 -8.739 1.00 0.00 H new ATOM 0 HG SER A 664 0.989 1.101 -10.980 1.00 0.00 H new ATOM 216 N VAL A 665 0.008 -0.911 -8.168 1.00 0.00 N ATOM 217 CA VAL A 665 0.375 -2.313 -8.259 1.00 0.00 C ATOM 218 C VAL A 665 -0.857 -3.136 -8.610 1.00 0.00 C ATOM 219 O VAL A 665 -0.747 -4.275 -9.066 1.00 0.00 O ATOM 220 CB VAL A 665 1.025 -2.842 -6.954 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.023 -3.274 -5.936 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.973 -3.991 -7.266 1.00 0.00 C ATOM 0 H VAL A 665 -0.501 -0.659 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 665 1.124 -2.411 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 665 1.593 -2.024 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.472 -3.638 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.656 -2.424 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.636 -4.069 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.423 -4.353 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.419 -4.801 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.757 -3.643 -7.939 1.00 0.00 H new ATOM 232 N GLY A 666 -2.040 -2.542 -8.413 1.00 0.00 N ATOM 233 CA GLY A 666 -3.271 -3.240 -8.739 1.00 0.00 C ATOM 234 C GLY A 666 -4.224 -3.353 -7.566 1.00 0.00 C ATOM 235 O GLY A 666 -4.769 -4.425 -7.306 1.00 0.00 O ATOM 0 H GLY A 666 -2.162 -1.601 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.771 -2.719 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.029 -4.240 -9.100 1.00 0.00 H new ATOM 239 N LYS A 667 -4.435 -2.248 -6.862 1.00 0.00 N ATOM 240 CA LYS A 667 -5.340 -2.238 -5.719 1.00 0.00 C ATOM 241 C LYS A 667 -5.369 -0.869 -5.048 1.00 0.00 C ATOM 242 O LYS A 667 -5.342 -0.767 -3.823 1.00 0.00 O ATOM 243 CB LYS A 667 -4.951 -3.318 -4.702 1.00 0.00 C ATOM 244 CG LYS A 667 -3.450 -3.513 -4.542 1.00 0.00 C ATOM 245 CD LYS A 667 -3.073 -4.987 -4.573 1.00 0.00 C ATOM 246 CE LYS A 667 -2.490 -5.388 -5.919 1.00 0.00 C ATOM 247 NZ LYS A 667 -1.352 -6.337 -5.772 1.00 0.00 N ATOM 0 H LYS A 667 -3.994 -1.350 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.341 -2.456 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.378 -3.059 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.399 -4.265 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -2.926 -2.986 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.123 -3.072 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -2.348 -5.194 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -3.954 -5.593 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.268 -5.846 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -2.153 -4.497 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -0.972 -6.572 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -0.605 -5.897 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -1.682 -7.206 -5.305 1.00 0.00 H new ATOM 261 N ILE A 668 -5.440 0.184 -5.860 1.00 0.00 N ATOM 262 CA ILE A 668 -5.491 1.552 -5.346 1.00 0.00 C ATOM 263 C ILE A 668 -6.571 1.681 -4.286 1.00 0.00 C ATOM 264 O ILE A 668 -6.318 2.128 -3.168 1.00 0.00 O ATOM 265 CB ILE A 668 -5.780 2.564 -6.474 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.523 2.789 -7.300 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.284 3.889 -5.909 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.136 1.601 -8.152 1.00 0.00 C ATOM 0 H ILE A 668 -5.464 0.116 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.516 1.772 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.562 2.152 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.673 3.655 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.697 3.030 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.479 4.583 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.204 3.720 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.529 4.313 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.231 1.835 -8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.953 0.738 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.944 1.373 -8.847 1.00 0.00 H new ATOM 280 N GLU A 669 -7.777 1.278 -4.654 1.00 0.00 N ATOM 281 CA GLU A 669 -8.914 1.329 -3.753 1.00 0.00 C ATOM 282 C GLU A 669 -8.545 0.745 -2.398 1.00 0.00 C ATOM 283 O GLU A 669 -8.751 1.376 -1.361 1.00 0.00 O ATOM 284 CB GLU A 669 -10.077 0.567 -4.377 1.00 0.00 C ATOM 285 CG GLU A 669 -11.430 1.227 -4.159 1.00 0.00 C ATOM 286 CD GLU A 669 -12.325 1.139 -5.380 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.893 0.053 -5.622 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.458 2.156 -6.093 1.00 0.00 O ATOM 0 H GLU A 669 -7.993 0.909 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.210 2.366 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.901 0.466 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.104 -0.441 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.929 0.754 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.281 2.274 -3.897 1.00 0.00 H new ATOM 295 N GLU A 670 -7.965 -0.447 -2.415 1.00 0.00 N ATOM 296 CA GLU A 670 -7.530 -1.089 -1.185 1.00 0.00 C ATOM 297 C GLU A 670 -6.313 -0.362 -0.644 1.00 0.00 C ATOM 298 O GLU A 670 -6.065 -0.366 0.562 1.00 0.00 O ATOM 299 CB GLU A 670 -7.209 -2.565 -1.426 1.00 0.00 C ATOM 300 CG GLU A 670 -8.245 -3.282 -2.276 1.00 0.00 C ATOM 301 CD GLU A 670 -8.238 -4.783 -2.060 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.057 -5.215 -0.903 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.412 -5.526 -3.049 1.00 0.00 O ATOM 0 H GLU A 670 -7.786 -0.986 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.336 -1.039 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.236 -2.642 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -7.126 -3.072 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -9.235 -2.890 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.057 -3.069 -3.328 1.00 0.00 H new ATOM 310 N ALA A 671 -5.564 0.296 -1.534 1.00 0.00 N ATOM 311 CA ALA A 671 -4.405 1.050 -1.106 1.00 0.00 C ATOM 312 C ALA A 671 -4.847 2.142 -0.154 1.00 0.00 C ATOM 313 O ALA A 671 -4.164 2.448 0.822 1.00 0.00 O ATOM 314 CB ALA A 671 -3.671 1.634 -2.292 1.00 0.00 C ATOM 0 H ALA A 671 -5.744 0.316 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.714 0.382 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.804 2.196 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.341 0.829 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.338 2.299 -2.841 1.00 0.00 H new ATOM 320 N GLU A 672 -6.028 2.704 -0.422 1.00 0.00 N ATOM 321 CA GLU A 672 -6.581 3.729 0.446 1.00 0.00 C ATOM 322 C GLU A 672 -6.670 3.177 1.863 1.00 0.00 C ATOM 323 O GLU A 672 -6.631 3.923 2.841 1.00 0.00 O ATOM 324 CB GLU A 672 -7.963 4.165 -0.049 1.00 0.00 C ATOM 325 CG GLU A 672 -7.975 4.611 -1.503 1.00 0.00 C ATOM 326 CD GLU A 672 -9.352 5.044 -1.967 1.00 0.00 C ATOM 327 OE1 GLU A 672 -9.999 5.835 -1.248 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.784 4.593 -3.050 1.00 0.00 O ATOM 0 H GLU A 672 -6.609 2.466 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.932 4.605 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.662 3.338 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.323 4.982 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.275 5.437 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.623 3.794 -2.133 1.00 0.00 H new ATOM 335 N ALA A 673 -6.761 1.849 1.957 1.00 0.00 N ATOM 336 CA ALA A 673 -6.820 1.173 3.239 1.00 0.00 C ATOM 337 C ALA A 673 -5.468 1.262 3.929 1.00 0.00 C ATOM 338 O ALA A 673 -5.386 1.452 5.143 1.00 0.00 O ATOM 339 CB ALA A 673 -7.236 -0.279 3.058 1.00 0.00 C ATOM 0 H ALA A 673 -6.795 1.224 1.152 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.567 1.662 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.275 -0.770 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.220 -0.320 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.512 -0.789 2.423 1.00 0.00 H new ATOM 345 N ILE A 674 -4.406 1.145 3.136 1.00 0.00 N ATOM 346 CA ILE A 674 -3.051 1.236 3.659 1.00 0.00 C ATOM 347 C ILE A 674 -2.832 2.606 4.276 1.00 0.00 C ATOM 348 O ILE A 674 -2.275 2.730 5.361 1.00 0.00 O ATOM 349 CB ILE A 674 -1.997 0.995 2.555 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.782 -0.495 2.348 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.676 1.662 2.898 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.584 -1.060 1.212 1.00 0.00 C ATOM 0 H ILE A 674 -4.460 0.987 2.130 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.932 0.461 4.416 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.374 1.437 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.724 -0.680 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.043 -1.023 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.044 1.474 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.827 2.736 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.295 1.255 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.383 -2.127 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.646 -0.906 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.307 -0.557 0.285 1.00 0.00 H new ATOM 364 N GLU A 675 -3.284 3.640 3.580 1.00 0.00 N ATOM 365 CA GLU A 675 -3.142 4.998 4.075 1.00 0.00 C ATOM 366 C GLU A 675 -3.618 5.085 5.523 1.00 0.00 C ATOM 367 O GLU A 675 -3.152 5.927 6.292 1.00 0.00 O ATOM 368 CB GLU A 675 -3.916 5.971 3.184 1.00 0.00 C ATOM 369 CG GLU A 675 -3.044 7.054 2.571 1.00 0.00 C ATOM 370 CD GLU A 675 -2.411 7.953 3.614 1.00 0.00 C ATOM 371 OE1 GLU A 675 -1.982 7.432 4.666 1.00 0.00 O ATOM 372 OE2 GLU A 675 -2.343 9.178 3.382 1.00 0.00 O ATOM 0 H GLU A 675 -3.750 3.563 2.676 1.00 0.00 H new ATOM 0 HA GLU A 675 -2.089 5.276 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.403 5.411 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.705 6.440 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.260 6.589 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -3.646 7.659 1.892 1.00 0.00 H new ATOM 379 N LYS A 676 -4.535 4.192 5.894 1.00 0.00 N ATOM 380 CA LYS A 676 -5.052 4.154 7.256 1.00 0.00 C ATOM 381 C LYS A 676 -3.997 3.614 8.219 1.00 0.00 C ATOM 382 O LYS A 676 -3.975 3.981 9.393 1.00 0.00 O ATOM 383 CB LYS A 676 -6.320 3.297 7.319 1.00 0.00 C ATOM 384 CG LYS A 676 -7.508 4.013 7.942 1.00 0.00 C ATOM 385 CD LYS A 676 -8.446 3.037 8.632 1.00 0.00 C ATOM 386 CE LYS A 676 -9.901 3.437 8.448 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.791 2.252 8.306 1.00 0.00 N ATOM 0 H LYS A 676 -4.932 3.489 5.271 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.302 5.171 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.585 2.981 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.110 2.394 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.153 4.750 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.052 4.558 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.290 2.035 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.211 2.995 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -10.224 4.033 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.995 4.069 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.774 2.569 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.500 1.696 7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -10.722 1.662 9.160 1.00 0.00 H new ATOM 401 N THR A 677 -3.112 2.753 7.716 1.00 0.00 N ATOM 402 CA THR A 677 -2.050 2.191 8.545 1.00 0.00 C ATOM 403 C THR A 677 -1.126 3.302 9.020 1.00 0.00 C ATOM 404 O THR A 677 -0.565 3.235 10.113 1.00 0.00 O ATOM 405 CB THR A 677 -1.243 1.125 7.788 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.858 0.797 6.555 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.082 -0.159 8.571 1.00 0.00 C ATOM 0 H THR A 677 -3.110 2.433 6.748 1.00 0.00 H new ATOM 0 HA THR A 677 -2.515 1.707 9.404 1.00 0.00 H new ATOM 0 HB THR A 677 -0.261 1.570 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.736 1.535 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.504 -0.873 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.562 0.048 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.064 -0.579 8.787 1.00 0.00 H new ATOM 415 N LEU A 678 -0.985 4.334 8.192 1.00 0.00 N ATOM 416 CA LEU A 678 -0.143 5.476 8.525 1.00 0.00 C ATOM 417 C LEU A 678 -0.488 5.996 9.914 1.00 0.00 C ATOM 418 O LEU A 678 0.386 6.441 10.659 1.00 0.00 O ATOM 419 CB LEU A 678 -0.320 6.585 7.488 1.00 0.00 C ATOM 420 CG LEU A 678 0.979 7.101 6.869 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.272 6.373 5.567 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.896 8.602 6.636 1.00 0.00 C ATOM 0 H LEU A 678 -1.445 4.401 7.284 1.00 0.00 H new ATOM 0 HA LEU A 678 0.899 5.155 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.964 6.217 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.839 7.421 7.957 1.00 0.00 H new ATOM 0 HG LEU A 678 1.796 6.905 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.200 6.752 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.372 5.305 5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.455 6.539 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.829 8.954 6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.070 8.820 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.730 9.109 7.586 1.00 0.00 H new ATOM 434 N LYS A 679 -1.770 5.921 10.259 1.00 0.00 N ATOM 435 CA LYS A 679 -2.234 6.370 11.565 1.00 0.00 C ATOM 436 C LYS A 679 -1.472 5.658 12.682 1.00 0.00 C ATOM 437 O LYS A 679 -1.389 6.155 13.806 1.00 0.00 O ATOM 438 CB LYS A 679 -3.735 6.111 11.707 1.00 0.00 C ATOM 439 CG LYS A 679 -4.329 6.662 12.993 1.00 0.00 C ATOM 440 CD LYS A 679 -4.975 8.019 12.770 1.00 0.00 C ATOM 441 CE LYS A 679 -6.241 8.177 13.597 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.495 9.599 13.960 1.00 0.00 N ATOM 0 H LYS A 679 -2.504 5.554 9.653 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.048 7.441 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.254 6.555 10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.915 5.037 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.071 5.964 13.381 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.548 6.749 13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -4.268 8.807 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.212 8.141 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.091 7.788 13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.158 7.580 14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.367 9.663 14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -5.696 9.963 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -6.600 10.165 13.094 1.00 0.00 H new ATOM 456 N ASN A 680 -0.910 4.492 12.362 1.00 0.00 N ATOM 457 CA ASN A 680 -0.149 3.709 13.330 1.00 0.00 C ATOM 458 C ASN A 680 0.910 4.565 14.019 1.00 0.00 C ATOM 459 O ASN A 680 1.801 5.110 13.369 1.00 0.00 O ATOM 460 CB ASN A 680 0.517 2.517 12.636 1.00 0.00 C ATOM 461 CG ASN A 680 -0.443 1.363 12.421 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.513 1.532 11.834 1.00 0.00 O ATOM 463 ND2 ASN A 680 -0.065 0.182 12.895 1.00 0.00 N ATOM 0 H ASN A 680 -0.969 4.069 11.436 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.842 3.345 14.089 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.917 2.837 11.674 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.362 2.177 13.235 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.670 -0.631 12.779 1.00 0.00 H new ATOM 0 HD22 ASN A 680 0.830 0.088 13.375 1.00 0.00 H new ATOM 470 N LYS A 681 0.804 4.677 15.339 1.00 0.00 N ATOM 471 CA LYS A 681 1.752 5.466 16.118 1.00 0.00 C ATOM 472 C LYS A 681 1.609 5.174 17.608 1.00 0.00 C ATOM 473 O LYS A 681 1.807 6.055 18.445 1.00 0.00 O ATOM 474 CB LYS A 681 1.541 6.959 15.856 1.00 0.00 C ATOM 475 CG LYS A 681 2.674 7.832 16.370 1.00 0.00 C ATOM 476 CD LYS A 681 2.160 9.172 16.870 1.00 0.00 C ATOM 477 CE LYS A 681 1.716 9.090 18.321 1.00 0.00 C ATOM 478 NZ LYS A 681 1.970 10.362 19.053 1.00 0.00 N ATOM 0 H LYS A 681 0.071 4.232 15.892 1.00 0.00 H new ATOM 0 HA LYS A 681 2.759 5.188 15.807 1.00 0.00 H new ATOM 0 HB2 LYS A 681 1.428 7.119 14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.609 7.274 16.325 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.195 7.317 17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 681 3.401 7.994 15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 681 2.943 9.924 16.770 1.00 0.00 H new ATOM 0 HD3 LYS A 681 1.324 9.497 16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 681 0.653 8.854 18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 681 2.243 8.275 18.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 1.653 10.264 20.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 2.988 10.575 19.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 1.447 11.136 18.596 1.00 0.00 H new ATOM 492 N GLN A 682 1.264 3.932 17.932 1.00 0.00 N ATOM 493 CA GLN A 682 1.094 3.525 19.322 1.00 0.00 C ATOM 494 C GLN A 682 2.195 2.557 19.743 1.00 0.00 C ATOM 495 O GLN A 682 1.976 1.672 20.571 1.00 0.00 O ATOM 496 CB GLN A 682 -0.276 2.873 19.520 1.00 0.00 C ATOM 497 CG GLN A 682 -0.764 2.910 20.959 1.00 0.00 C ATOM 498 CD GLN A 682 -0.547 1.595 21.682 1.00 0.00 C ATOM 499 OE1 GLN A 682 0.124 1.543 22.712 1.00 0.00 O ATOM 500 NE2 GLN A 682 -1.117 0.523 21.143 1.00 0.00 N ATOM 0 H GLN A 682 1.097 3.191 17.252 1.00 0.00 H new ATOM 0 HA GLN A 682 1.159 4.416 19.946 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.004 3.377 18.885 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.227 1.836 19.188 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -0.245 3.705 21.495 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -1.826 3.157 20.973 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -1.665 0.613 20.287 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -1.007 -0.390 21.585 1.00 0.00 H new ATOM 509 N ASN A 683 3.381 2.730 19.167 1.00 0.00 N ATOM 510 CA ASN A 683 4.517 1.873 19.483 1.00 0.00 C ATOM 511 C ASN A 683 5.553 2.624 20.312 1.00 0.00 C ATOM 512 O ASN A 683 5.175 3.615 20.973 1.00 0.00 O ATOM 513 CB ASN A 683 5.160 1.348 18.197 1.00 0.00 C ATOM 514 CG ASN A 683 4.302 0.305 17.507 1.00 0.00 C ATOM 515 OD1 ASN A 683 3.080 0.438 17.432 1.00 0.00 O ATOM 516 ND2 ASN A 683 4.940 -0.743 16.999 1.00 0.00 N ATOM 517 OXT ASN A 683 6.733 2.217 20.294 1.00 0.00 O ATOM 0 H ASN A 683 3.579 3.456 18.479 1.00 0.00 H new ATOM 0 HA ASN A 683 4.151 1.030 20.069 1.00 0.00 H new ATOM 0 HB2 ASN A 683 5.335 2.180 17.515 1.00 0.00 H new ATOM 0 HB3 ASN A 683 6.134 0.917 18.430 1.00 0.00 H new ATOM 0 HD21 ASN A 683 4.416 -1.478 16.524 1.00 0.00 H new ATOM 0 HD22 ASN A 683 5.954 -0.813 17.084 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -12.164 -5.333 23.786 1.00 0.00 N ATOM 526 CA ARG B 405 -13.419 -4.600 23.468 1.00 0.00 C ATOM 527 C ARG B 405 -13.170 -3.437 22.503 1.00 0.00 C ATOM 528 O ARG B 405 -13.790 -3.366 21.442 1.00 0.00 O ATOM 529 CB ARG B 405 -14.037 -4.090 24.773 1.00 0.00 C ATOM 530 CG ARG B 405 -15.454 -4.586 25.010 1.00 0.00 C ATOM 531 CD ARG B 405 -15.489 -6.093 25.207 1.00 0.00 C ATOM 532 NE ARG B 405 -16.705 -6.689 24.657 1.00 0.00 N ATOM 533 CZ ARG B 405 -16.999 -7.984 24.739 1.00 0.00 C ATOM 534 NH1 ARG B 405 -16.168 -8.823 25.347 1.00 0.00 N ATOM 535 NH2 ARG B 405 -18.126 -8.444 24.212 1.00 0.00 N ATOM 0 HA ARG B 405 -14.106 -5.284 22.971 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -13.408 -4.399 25.608 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -14.040 -3.000 24.762 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -15.871 -4.093 25.888 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -16.083 -4.314 24.162 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -14.618 -6.541 24.730 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -15.422 -6.321 26.271 1.00 0.00 H new ATOM 0 HE ARG B 405 -17.367 -6.076 24.182 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -15.300 -8.475 25.754 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -16.398 -9.815 25.407 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -18.768 -7.805 23.743 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -18.351 -9.437 24.275 1.00 0.00 H new ATOM 550 N PRO B 406 -12.263 -2.502 22.853 1.00 0.00 N ATOM 551 CA PRO B 406 -11.960 -1.346 21.999 1.00 0.00 C ATOM 552 C PRO B 406 -11.456 -1.755 20.614 1.00 0.00 C ATOM 553 O PRO B 406 -11.948 -1.260 19.601 1.00 0.00 O ATOM 554 CB PRO B 406 -10.870 -0.590 22.766 1.00 0.00 C ATOM 555 CG PRO B 406 -10.971 -1.073 24.173 1.00 0.00 C ATOM 556 CD PRO B 406 -11.473 -2.488 24.097 1.00 0.00 C ATOM 0 HA PRO B 406 -12.851 -0.747 21.811 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -9.883 -0.794 22.350 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -11.024 0.488 22.708 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -10.002 -1.030 24.670 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -11.653 -0.449 24.751 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -10.652 -3.204 24.060 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -12.082 -2.746 24.963 1.00 0.00 H new ATOM 564 N PRO B 407 -10.465 -2.666 20.549 1.00 0.00 N ATOM 565 CA PRO B 407 -9.907 -3.130 19.274 1.00 0.00 C ATOM 566 C PRO B 407 -10.991 -3.491 18.257 1.00 0.00 C ATOM 567 O PRO B 407 -11.624 -4.541 18.363 1.00 0.00 O ATOM 568 CB PRO B 407 -9.116 -4.375 19.673 1.00 0.00 C ATOM 569 CG PRO B 407 -8.706 -4.123 21.081 1.00 0.00 C ATOM 570 CD PRO B 407 -9.814 -3.316 21.704 1.00 0.00 C ATOM 0 HA PRO B 407 -9.308 -2.361 18.787 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -9.726 -5.275 19.593 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -8.250 -4.518 19.027 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -8.559 -5.061 21.617 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -7.761 -3.582 21.120 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -10.511 -3.949 22.253 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -9.426 -2.582 22.411 1.00 0.00 H new ATOM 578 N PRO B 408 -11.219 -2.622 17.256 1.00 0.00 N ATOM 579 CA PRO B 408 -12.233 -2.860 16.222 1.00 0.00 C ATOM 580 C PRO B 408 -11.844 -3.996 15.282 1.00 0.00 C ATOM 581 O PRO B 408 -10.668 -4.336 15.157 1.00 0.00 O ATOM 582 CB PRO B 408 -12.288 -1.533 15.465 1.00 0.00 C ATOM 583 CG PRO B 408 -10.947 -0.920 15.676 1.00 0.00 C ATOM 584 CD PRO B 408 -10.511 -1.344 17.051 1.00 0.00 C ATOM 0 HA PRO B 408 -13.190 -3.160 16.650 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -12.489 -1.690 14.405 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -13.081 -0.891 15.848 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -10.239 -1.260 14.920 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -10.998 0.166 15.600 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -9.430 -1.470 17.109 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -10.787 -0.607 17.805 1.00 0.00 H new ATOM 592 N ALA B 409 -12.840 -4.579 14.624 1.00 0.00 N ATOM 593 CA ALA B 409 -12.604 -5.676 13.695 1.00 0.00 C ATOM 594 C ALA B 409 -11.748 -5.223 12.516 1.00 0.00 C ATOM 595 O ALA B 409 -11.783 -4.057 12.124 1.00 0.00 O ATOM 596 CB ALA B 409 -13.925 -6.245 13.201 1.00 0.00 C ATOM 0 H ALA B 409 -13.819 -4.309 14.717 1.00 0.00 H new ATOM 0 HA ALA B 409 -12.061 -6.457 14.227 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -13.732 -7.064 12.508 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -14.501 -6.616 14.049 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -14.490 -5.464 12.692 1.00 0.00 H new ATOM 602 N HIS B 410 -10.980 -6.153 11.957 1.00 0.00 N ATOM 603 CA HIS B 410 -10.116 -5.848 10.823 1.00 0.00 C ATOM 604 C HIS B 410 -10.281 -6.886 9.718 1.00 0.00 C ATOM 605 O HIS B 410 -11.072 -7.821 9.845 1.00 0.00 O ATOM 606 CB HIS B 410 -8.654 -5.792 11.270 1.00 0.00 C ATOM 607 CG HIS B 410 -8.248 -6.945 12.134 1.00 0.00 C ATOM 608 ND1 HIS B 410 -7.440 -6.806 13.244 1.00 0.00 N ATOM 609 CD2 HIS B 410 -8.543 -8.263 12.049 1.00 0.00 C ATOM 610 CE1 HIS B 410 -7.255 -7.990 13.801 1.00 0.00 C ATOM 611 NE2 HIS B 410 -7.913 -8.890 13.096 1.00 0.00 N ATOM 0 H HIS B 410 -10.939 -7.123 12.271 1.00 0.00 H new ATOM 0 HA HIS B 410 -10.407 -4.874 10.429 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -8.014 -5.766 10.388 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -8.484 -4.863 11.814 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -9.159 -8.734 11.298 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -6.665 -8.187 14.684 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -7.948 -9.890 13.296 1.00 0.00 H new ATOM 620 N HIS B 411 -9.530 -6.715 8.634 1.00 0.00 N ATOM 621 CA HIS B 411 -9.594 -7.637 7.507 1.00 0.00 C ATOM 622 C HIS B 411 -8.246 -7.725 6.798 1.00 0.00 C ATOM 623 O HIS B 411 -7.382 -6.866 6.979 1.00 0.00 O ATOM 624 CB HIS B 411 -10.675 -7.195 6.519 1.00 0.00 C ATOM 625 CG HIS B 411 -11.403 -8.336 5.878 1.00 0.00 C ATOM 626 ND1 HIS B 411 -12.639 -8.774 6.304 1.00 0.00 N ATOM 627 CD2 HIS B 411 -11.064 -9.128 4.835 1.00 0.00 C ATOM 628 CE1 HIS B 411 -13.027 -9.789 5.552 1.00 0.00 C ATOM 629 NE2 HIS B 411 -12.089 -10.023 4.653 1.00 0.00 N ATOM 0 H HIS B 411 -8.870 -5.946 8.513 1.00 0.00 H new ATOM 0 HA HIS B 411 -9.846 -8.625 7.893 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -11.394 -6.562 7.039 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -10.217 -6.584 5.741 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -10.156 -9.067 4.254 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -13.954 -10.334 5.655 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -12.121 -10.751 3.939 1.00 0.00 H new ATOM 638 N ASN B 412 -8.074 -8.766 5.991 1.00 0.00 N ATOM 639 CA ASN B 412 -6.831 -8.965 5.255 1.00 0.00 C ATOM 640 C ASN B 412 -5.650 -9.114 6.210 1.00 0.00 C ATOM 641 O ASN B 412 -5.717 -8.693 7.365 1.00 0.00 O ATOM 642 CB ASN B 412 -6.586 -7.795 4.301 1.00 0.00 C ATOM 643 CG ASN B 412 -7.292 -7.975 2.971 1.00 0.00 C ATOM 644 OD1 ASN B 412 -6.779 -8.634 2.067 1.00 0.00 O ATOM 645 ND2 ASN B 412 -8.476 -7.388 2.846 1.00 0.00 N ATOM 0 H ASN B 412 -8.779 -9.485 5.830 1.00 0.00 H new ATOM 0 HA ASN B 412 -6.924 -9.884 4.676 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -6.927 -6.871 4.768 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.515 -7.688 4.129 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -8.998 -7.474 1.974 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -8.863 -6.851 3.622 1.00 0.00 H new ATOM 652 N MET B 413 -4.571 -9.714 5.719 1.00 0.00 N ATOM 653 CA MET B 413 -3.375 -9.917 6.529 1.00 0.00 C ATOM 654 C MET B 413 -2.313 -8.873 6.203 1.00 0.00 C ATOM 655 O MET B 413 -1.569 -8.435 7.080 1.00 0.00 O ATOM 656 CB MET B 413 -2.814 -11.322 6.301 1.00 0.00 C ATOM 657 CG MET B 413 -2.212 -11.946 7.550 1.00 0.00 C ATOM 658 SD MET B 413 -3.450 -12.316 8.807 1.00 0.00 S ATOM 659 CE MET B 413 -2.654 -13.659 9.682 1.00 0.00 C ATOM 0 H MET B 413 -4.500 -10.068 4.765 1.00 0.00 H new ATOM 0 HA MET B 413 -3.653 -9.809 7.577 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.611 -11.967 5.931 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.052 -11.278 5.523 1.00 0.00 H new ATOM 0 HG2 MET B 413 -1.691 -12.864 7.278 1.00 0.00 H new ATOM 0 HG3 MET B 413 -1.467 -11.268 7.967 1.00 0.00 H new ATOM 0 HE1 MET B 413 -3.299 -13.998 10.493 1.00 0.00 H new ATOM 0 HE2 MET B 413 -2.472 -14.484 8.994 1.00 0.00 H new ATOM 0 HE3 MET B 413 -1.705 -13.314 10.093 1.00 0.00 H new ATOM 669 N PHE B 414 -2.250 -8.477 4.934 1.00 0.00 N ATOM 670 CA PHE B 414 -1.279 -7.482 4.486 1.00 0.00 C ATOM 671 C PHE B 414 0.139 -8.046 4.524 1.00 0.00 C ATOM 672 O PHE B 414 0.785 -8.193 3.485 1.00 0.00 O ATOM 673 CB PHE B 414 -1.367 -6.219 5.347 1.00 0.00 C ATOM 674 CG PHE B 414 -0.899 -4.975 4.645 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.322 -4.686 3.356 1.00 0.00 C ATOM 676 CD2 PHE B 414 -0.033 -4.095 5.273 1.00 0.00 C ATOM 677 CE1 PHE B 414 -0.892 -3.545 2.712 1.00 0.00 C ATOM 678 CE2 PHE B 414 0.401 -2.950 4.632 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.031 -2.675 3.349 1.00 0.00 C ATOM 0 H PHE B 414 -2.860 -8.830 4.197 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.517 -7.222 3.455 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.400 -6.079 5.666 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -0.772 -6.362 6.249 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -1.996 -5.362 2.851 1.00 0.00 H new ATOM 0 HD2 PHE B 414 0.307 -4.306 6.276 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.229 -3.332 1.708 1.00 0.00 H new ATOM 0 HE2 PHE B 414 1.076 -2.272 5.133 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.305 -1.781 2.845 1.00 0.00 H new ATOM 689 N SER B 415 0.622 -8.358 5.723 1.00 0.00 N ATOM 690 CA SER B 415 1.966 -8.903 5.886 1.00 0.00 C ATOM 691 C SER B 415 3.010 -7.928 5.344 1.00 0.00 C ATOM 692 O SER B 415 2.752 -6.728 5.248 1.00 0.00 O ATOM 693 CB SER B 415 2.075 -10.253 5.171 1.00 0.00 C ATOM 694 OG SER B 415 0.866 -10.985 5.276 1.00 0.00 O ATOM 0 H SER B 415 0.104 -8.243 6.594 1.00 0.00 H new ATOM 0 HA SER B 415 2.156 -9.051 6.949 1.00 0.00 H new ATOM 0 HB2 SER B 415 2.317 -10.093 4.120 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.892 -10.831 5.602 1.00 0.00 H new ATOM 0 HG SER B 415 0.961 -11.842 4.810 1.00 0.00 H new ATOM 700 N VAL B 416 4.187 -8.442 4.985 1.00 0.00 N ATOM 701 CA VAL B 416 5.248 -7.597 4.451 1.00 0.00 C ATOM 702 C VAL B 416 5.863 -8.194 3.180 1.00 0.00 C ATOM 703 O VAL B 416 7.066 -8.449 3.121 1.00 0.00 O ATOM 704 CB VAL B 416 6.354 -7.353 5.499 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.094 -8.644 5.819 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.317 -6.278 5.017 1.00 0.00 C ATOM 0 H VAL B 416 4.426 -9.431 5.055 1.00 0.00 H new ATOM 0 HA VAL B 416 4.789 -6.642 4.196 1.00 0.00 H new ATOM 0 HB VAL B 416 5.884 -7.002 6.418 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.868 -8.445 6.560 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.392 -9.377 6.216 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.553 -9.035 4.911 1.00 0.00 H new ATOM 0 HG21 VAL B 416 8.090 -6.119 5.768 1.00 0.00 H new ATOM 0 HG22 VAL B 416 7.779 -6.596 4.082 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.772 -5.348 4.854 1.00 0.00 H new ATOM 716 N PRO B 417 5.041 -8.405 2.134 1.00 0.00 N ATOM 717 CA PRO B 417 5.503 -8.953 0.852 1.00 0.00 C ATOM 718 C PRO B 417 6.569 -8.070 0.211 1.00 0.00 C ATOM 719 O PRO B 417 6.596 -6.861 0.440 1.00 0.00 O ATOM 720 CB PRO B 417 4.243 -8.978 -0.021 1.00 0.00 C ATOM 721 CG PRO B 417 3.105 -8.910 0.935 1.00 0.00 C ATOM 722 CD PRO B 417 3.597 -8.110 2.107 1.00 0.00 C ATOM 0 HA PRO B 417 5.962 -9.934 0.974 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.227 -8.136 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.198 -9.886 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.237 -8.436 0.476 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.796 -9.908 1.246 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.406 -7.045 1.976 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.107 -8.410 3.033 1.00 0.00 H new ATOM 730 N PRO B 418 7.467 -8.651 -0.605 1.00 0.00 N ATOM 731 CA PRO B 418 8.524 -7.880 -1.262 1.00 0.00 C ATOM 732 C PRO B 418 7.920 -6.766 -2.112 1.00 0.00 C ATOM 733 O PRO B 418 6.876 -6.955 -2.735 1.00 0.00 O ATOM 734 CB PRO B 418 9.240 -8.912 -2.145 1.00 0.00 C ATOM 735 CG PRO B 418 8.310 -10.076 -2.230 1.00 0.00 C ATOM 736 CD PRO B 418 7.526 -10.078 -0.949 1.00 0.00 C ATOM 0 HA PRO B 418 9.198 -7.395 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.450 -8.504 -3.134 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.196 -9.204 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO B 418 7.649 -9.984 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO B 418 8.862 -11.008 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.532 -10.504 -1.083 1.00 0.00 H new ATOM 0 HD3 PRO B 418 8.020 -10.662 -0.172 1.00 0.00 H new ATOM 744 N PRO B 419 8.532 -5.569 -2.108 1.00 0.00 N ATOM 745 CA PRO B 419 7.994 -4.422 -2.846 1.00 0.00 C ATOM 746 C PRO B 419 8.041 -4.583 -4.367 1.00 0.00 C ATOM 747 O PRO B 419 9.043 -5.030 -4.927 1.00 0.00 O ATOM 748 CB PRO B 419 8.901 -3.259 -2.416 1.00 0.00 C ATOM 749 CG PRO B 419 9.637 -3.738 -1.212 1.00 0.00 C ATOM 750 CD PRO B 419 9.747 -5.225 -1.356 1.00 0.00 C ATOM 0 HA PRO B 419 6.937 -4.282 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO B 419 9.592 -2.987 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.314 -2.370 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.623 -3.279 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO B 419 9.104 -3.473 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.651 -5.514 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.778 -5.724 -0.388 1.00 0.00 H new ATOM 758 N PRO B 420 6.946 -4.195 -5.054 1.00 0.00 N ATOM 759 CA PRO B 420 6.847 -4.268 -6.512 1.00 0.00 C ATOM 760 C PRO B 420 7.611 -3.150 -7.233 1.00 0.00 C ATOM 761 O PRO B 420 8.677 -3.387 -7.802 1.00 0.00 O ATOM 762 CB PRO B 420 5.346 -4.163 -6.780 1.00 0.00 C ATOM 763 CG PRO B 420 4.772 -3.446 -5.603 1.00 0.00 C ATOM 764 CD PRO B 420 5.717 -3.653 -4.445 1.00 0.00 C ATOM 0 HA PRO B 420 7.298 -5.185 -6.892 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.151 -3.618 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.899 -5.151 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.657 -2.384 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.781 -3.832 -5.364 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.914 -2.717 -3.923 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.300 -4.345 -3.713 1.00 0.00 H new ATOM 772 N ILE B 421 7.044 -1.937 -7.233 1.00 0.00 N ATOM 773 CA ILE B 421 7.663 -0.799 -7.917 1.00 0.00 C ATOM 774 C ILE B 421 8.774 -0.156 -7.082 1.00 0.00 C ATOM 775 O ILE B 421 9.299 -0.770 -6.153 1.00 0.00 O ATOM 776 CB ILE B 421 6.604 0.263 -8.348 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.324 1.299 -7.233 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.319 -0.427 -8.794 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.858 1.463 -6.857 1.00 0.00 C ATOM 0 H ILE B 421 6.162 -1.721 -6.769 1.00 0.00 H new ATOM 0 HA ILE B 421 8.124 -1.197 -8.821 1.00 0.00 H new ATOM 0 HB ILE B 421 7.017 0.818 -9.191 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.881 1.010 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.712 2.267 -7.552 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.587 0.324 -9.092 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.532 -1.082 -9.639 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.918 -1.017 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.766 2.210 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.292 1.786 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.465 0.510 -6.502 1.00 0.00 H new ATOM 791 N LEU B 422 9.134 1.079 -7.424 1.00 0.00 N ATOM 792 CA LEU B 422 10.184 1.794 -6.708 1.00 0.00 C ATOM 793 C LEU B 422 10.340 3.208 -7.255 1.00 0.00 C ATOM 794 O LEU B 422 11.450 3.733 -7.343 1.00 0.00 O ATOM 795 CB LEU B 422 11.512 1.040 -6.817 1.00 0.00 C ATOM 796 CG LEU B 422 11.829 0.483 -8.207 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.816 1.384 -8.934 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.378 -0.934 -8.102 1.00 0.00 C ATOM 0 H LEU B 422 8.714 1.603 -8.191 1.00 0.00 H new ATOM 0 HA LEU B 422 9.899 1.857 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.318 1.710 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.503 0.215 -6.105 1.00 0.00 H new ATOM 0 HG LEU B 422 10.904 0.453 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.028 0.970 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU B 422 12.387 2.380 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.741 1.448 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU B 422 12.598 -1.314 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.291 -0.927 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU B 422 11.638 -1.576 -7.624 1.00 0.00 H new ATOM 810 N GLY B 423 9.219 3.818 -7.624 1.00 0.00 N ATOM 811 CA GLY B 423 9.248 5.164 -8.161 1.00 0.00 C ATOM 812 C GLY B 423 8.686 6.188 -7.195 1.00 0.00 C ATOM 813 O GLY B 423 7.623 5.980 -6.609 1.00 0.00 O ATOM 0 H GLY B 423 8.290 3.403 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.275 5.430 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.677 5.194 -9.089 1.00 0.00 H new ATOM 817 N ARG B 424 9.399 7.297 -7.028 1.00 0.00 N ATOM 818 CA ARG B 424 8.965 8.356 -6.125 1.00 0.00 C ATOM 819 C ARG B 424 9.920 9.544 -6.183 1.00 0.00 C ATOM 820 O ARG B 424 10.935 9.573 -5.486 1.00 0.00 O ATOM 821 CB ARG B 424 8.873 7.830 -4.692 1.00 0.00 C ATOM 822 CG ARG B 424 7.784 8.497 -3.867 1.00 0.00 C ATOM 823 CD ARG B 424 7.144 7.518 -2.896 1.00 0.00 C ATOM 824 NE ARG B 424 5.723 7.798 -2.696 1.00 0.00 N ATOM 825 CZ ARG B 424 4.804 7.688 -3.653 1.00 0.00 C ATOM 826 NH1 ARG B 424 5.151 7.305 -4.875 1.00 0.00 N ATOM 827 NH2 ARG B 424 3.534 7.960 -3.386 1.00 0.00 N ATOM 0 H ARG B 424 10.280 7.485 -7.506 1.00 0.00 H new ATOM 0 HA ARG B 424 7.978 8.689 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG B 424 8.690 6.756 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG B 424 9.833 7.977 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG B 424 8.207 9.336 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG B 424 7.021 8.905 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG B 424 7.264 6.502 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG B 424 7.662 7.566 -1.938 1.00 0.00 H new ATOM 0 HE ARG B 424 5.418 8.095 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG B 424 6.126 7.093 -5.085 1.00 0.00 H new ATOM 0 HH12 ARG B 424 4.442 7.223 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG B 424 3.262 8.253 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG B 424 2.829 7.876 -4.119 1.00 0.00 H new ATOM 841 N GLY B 425 9.588 10.524 -7.017 1.00 0.00 N ATOM 842 CA GLY B 425 10.426 11.702 -7.150 1.00 0.00 C ATOM 843 C GLY B 425 9.884 12.889 -6.379 1.00 0.00 C ATOM 844 O GLY B 425 8.762 12.786 -5.840 1.00 0.00 O ATOM 845 OXT GLY B 425 10.580 13.924 -6.314 1.00 0.00 O ATOM 0 H GLY B 425 8.753 10.524 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY B 425 11.431 11.471 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY B 425 10.512 11.966 -8.204 1.00 0.00 H new TER 849 GLY B 425