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 104:sc= 0.221 USER MOD Single : A 655 SER OG : rot 74:sc= -10.4! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot -11:sc= -1.65! USER MOD Single : A 662 TYR OH : rot -124:sc= 1.62 USER MOD Single : A 664 SER OG : rot 5:sc= 0.909 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 88:sc= 0.734 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 681 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.137) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : B 410 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.00086) USER MOD Single : B 411 HIS : no HD1:sc= -0.685 K(o=-0.69,f=-0.1) USER MOD Single : B 412 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot -124:sc= 0.356 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 5.782 2.459 16.136 1.00 0.00 N ATOM 2 CA GLY A 651 4.694 2.007 15.226 1.00 0.00 C ATOM 3 C GLY A 651 5.225 1.462 13.915 1.00 0.00 C ATOM 4 O GLY A 651 6.101 0.599 13.903 1.00 0.00 O ATOM 0 HA2 GLY A 651 4.104 1.237 15.724 1.00 0.00 H new ATOM 0 HA3 GLY A 651 4.023 2.842 15.024 1.00 0.00 H new ATOM 9 N ALA A 652 4.690 1.968 12.807 1.00 0.00 N ATOM 10 CA ALA A 652 5.115 1.526 11.484 1.00 0.00 C ATOM 11 C ALA A 652 4.496 2.392 10.393 1.00 0.00 C ATOM 12 O ALA A 652 3.559 1.975 9.712 1.00 0.00 O ATOM 13 CB ALA A 652 4.748 0.065 11.273 1.00 0.00 C ATOM 0 H ALA A 652 3.963 2.683 12.800 1.00 0.00 H new ATOM 0 HA ALA A 652 6.198 1.629 11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.071 -0.252 10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.242 -0.547 12.028 1.00 0.00 H new ATOM 0 HB3 ALA A 652 3.668 -0.055 11.358 1.00 0.00 H new ATOM 19 N ASP A 653 5.026 3.600 10.230 1.00 0.00 N ATOM 20 CA ASP A 653 4.524 4.524 9.218 1.00 0.00 C ATOM 21 C ASP A 653 5.088 4.181 7.845 1.00 0.00 C ATOM 22 O ASP A 653 6.026 4.820 7.368 1.00 0.00 O ATOM 23 CB ASP A 653 4.883 5.964 9.588 1.00 0.00 C ATOM 24 CG ASP A 653 4.199 6.422 10.861 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.141 5.854 11.203 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.720 7.351 11.514 1.00 0.00 O ATOM 0 H ASP A 653 5.802 3.962 10.785 1.00 0.00 H new ATOM 0 HA ASP A 653 3.439 4.429 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.963 6.046 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 653 4.603 6.627 8.770 1.00 0.00 H new ATOM 31 N TYR A 654 4.507 3.168 7.214 1.00 0.00 N ATOM 32 CA TYR A 654 4.949 2.732 5.889 1.00 0.00 C ATOM 33 C TYR A 654 3.817 2.789 4.866 1.00 0.00 C ATOM 34 O TYR A 654 4.050 2.621 3.669 1.00 0.00 O ATOM 35 CB TYR A 654 5.529 1.312 5.954 1.00 0.00 C ATOM 36 CG TYR A 654 4.538 0.230 6.354 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.325 0.538 6.967 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.827 -1.114 6.126 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.441 -0.445 7.337 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.937 -2.107 6.493 1.00 0.00 C ATOM 41 CZ TYR A 654 2.747 -1.767 7.099 1.00 0.00 C ATOM 42 OH TYR A 654 1.860 -2.752 7.469 1.00 0.00 O ATOM 0 H TYR A 654 3.728 2.631 7.596 1.00 0.00 H new ATOM 0 HA TYR A 654 5.728 3.422 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.944 1.060 4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.356 1.306 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.075 1.572 7.155 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.761 -1.384 5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.508 -0.183 7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.174 -3.144 6.306 1.00 0.00 H new ATOM 0 HH TYR A 654 1.390 -3.084 6.676 1.00 0.00 H new ATOM 52 N SER A 655 2.594 3.028 5.334 1.00 0.00 N ATOM 53 CA SER A 655 1.432 3.106 4.453 1.00 0.00 C ATOM 54 C SER A 655 1.710 3.960 3.225 1.00 0.00 C ATOM 55 O SER A 655 1.161 3.714 2.158 1.00 0.00 O ATOM 56 CB SER A 655 0.236 3.682 5.206 1.00 0.00 C ATOM 57 OG SER A 655 0.275 5.098 5.225 1.00 0.00 O ATOM 0 H SER A 655 2.382 3.171 6.321 1.00 0.00 H new ATOM 0 HA SER A 655 1.209 2.092 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.689 3.348 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 655 0.229 3.302 6.228 1.00 0.00 H new ATOM 0 HG SER A 655 0.037 5.444 4.339 1.00 0.00 H new ATOM 63 N ALA A 656 2.554 4.969 3.380 1.00 0.00 N ATOM 64 CA ALA A 656 2.877 5.849 2.267 1.00 0.00 C ATOM 65 C ALA A 656 3.558 5.089 1.152 1.00 0.00 C ATOM 66 O ALA A 656 3.026 4.968 0.049 1.00 0.00 O ATOM 67 CB ALA A 656 3.761 6.997 2.726 1.00 0.00 C ATOM 0 H ALA A 656 3.024 5.198 4.256 1.00 0.00 H new ATOM 0 HA ALA A 656 1.940 6.256 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.990 7.642 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.240 7.574 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.688 6.600 3.140 1.00 0.00 H new ATOM 73 N GLN A 657 4.737 4.575 1.446 1.00 0.00 N ATOM 74 CA GLN A 657 5.489 3.822 0.457 1.00 0.00 C ATOM 75 C GLN A 657 4.789 2.504 0.163 1.00 0.00 C ATOM 76 O GLN A 657 4.932 1.942 -0.922 1.00 0.00 O ATOM 77 CB GLN A 657 6.930 3.552 0.915 1.00 0.00 C ATOM 78 CG GLN A 657 7.322 4.266 2.193 1.00 0.00 C ATOM 79 CD GLN A 657 8.820 4.269 2.428 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.324 3.580 3.314 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.541 5.050 1.632 1.00 0.00 N ATOM 0 H GLN A 657 5.193 4.663 2.354 1.00 0.00 H new ATOM 0 HA GLN A 657 5.535 4.426 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.058 2.479 1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.614 3.852 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.963 5.294 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.827 3.787 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.082 5.605 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.554 5.095 1.743 1.00 0.00 H new ATOM 90 N TRP A 658 4.034 2.011 1.144 1.00 0.00 N ATOM 91 CA TRP A 658 3.323 0.754 0.988 1.00 0.00 C ATOM 92 C TRP A 658 2.046 0.940 0.191 1.00 0.00 C ATOM 93 O TRP A 658 1.635 0.041 -0.538 1.00 0.00 O ATOM 94 CB TRP A 658 3.001 0.133 2.349 1.00 0.00 C ATOM 95 CG TRP A 658 3.963 -0.938 2.767 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.678 -2.040 3.520 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.362 -1.013 2.462 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.811 -2.793 3.705 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.858 -2.183 3.065 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.245 -0.205 1.738 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.192 -2.564 2.967 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.570 -0.585 1.642 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.032 -1.756 2.253 1.00 0.00 C ATOM 0 H TRP A 658 3.903 2.464 2.048 1.00 0.00 H new ATOM 0 HA TRP A 658 3.978 0.077 0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.995 0.919 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.995 -0.286 2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.702 -2.284 3.913 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.865 -3.664 4.233 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.897 0.700 1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.552 -3.467 3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.260 0.032 1.086 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.073 -2.027 2.159 1.00 0.00 H new ATOM 114 N ALA A 659 1.428 2.113 0.300 1.00 0.00 N ATOM 115 CA ALA A 659 0.217 2.372 -0.455 1.00 0.00 C ATOM 116 C ALA A 659 0.600 2.657 -1.892 1.00 0.00 C ATOM 117 O ALA A 659 -0.153 2.379 -2.821 1.00 0.00 O ATOM 118 CB ALA A 659 -0.573 3.532 0.135 1.00 0.00 C ATOM 0 H ALA A 659 1.742 2.882 0.892 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.429 1.496 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.474 3.697 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.852 3.297 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.040 4.433 0.122 1.00 0.00 H new ATOM 124 N GLU A 660 1.807 3.194 -2.054 1.00 0.00 N ATOM 125 CA GLU A 660 2.345 3.505 -3.363 1.00 0.00 C ATOM 126 C GLU A 660 2.260 2.292 -4.264 1.00 0.00 C ATOM 127 O GLU A 660 2.062 2.410 -5.474 1.00 0.00 O ATOM 128 CB GLU A 660 3.801 3.948 -3.232 1.00 0.00 C ATOM 129 CG GLU A 660 4.027 5.380 -3.654 1.00 0.00 C ATOM 130 CD GLU A 660 5.396 5.899 -3.260 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.390 5.172 -3.470 1.00 0.00 O ATOM 132 OE2 GLU A 660 5.474 7.031 -2.741 1.00 0.00 O ATOM 0 H GLU A 660 2.432 3.423 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 660 1.760 4.313 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.119 3.827 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.429 3.294 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.911 5.458 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.261 6.012 -3.205 1.00 0.00 H new ATOM 139 N TYR A 661 2.410 1.125 -3.662 1.00 0.00 N ATOM 140 CA TYR A 661 2.345 -0.113 -4.409 1.00 0.00 C ATOM 141 C TYR A 661 0.919 -0.401 -4.812 1.00 0.00 C ATOM 142 O TYR A 661 0.602 -0.479 -5.993 1.00 0.00 O ATOM 143 CB TYR A 661 2.924 -1.245 -3.574 1.00 0.00 C ATOM 144 CG TYR A 661 4.379 -1.020 -3.288 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.248 -0.775 -4.333 1.00 0.00 C ATOM 146 CD2 TYR A 661 4.882 -1.017 -1.994 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.579 -0.541 -4.113 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.222 -0.773 -1.757 1.00 0.00 C ATOM 149 CZ TYR A 661 7.068 -0.535 -2.822 1.00 0.00 C ATOM 150 OH TYR A 661 8.402 -0.284 -2.594 1.00 0.00 O ATOM 0 H TYR A 661 2.577 1.012 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 661 2.937 -0.022 -5.320 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.375 -1.326 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.796 -2.191 -4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.870 -0.768 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.219 -1.207 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.243 -0.362 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.604 -0.769 -0.747 1.00 0.00 H new ATOM 0 HH TYR A 661 8.889 -0.303 -3.444 1.00 0.00 H new ATOM 160 N TYR A 662 0.056 -0.526 -3.827 1.00 0.00 N ATOM 161 CA TYR A 662 -1.347 -0.779 -4.085 1.00 0.00 C ATOM 162 C TYR A 662 -1.944 0.339 -4.923 1.00 0.00 C ATOM 163 O TYR A 662 -2.953 0.146 -5.590 1.00 0.00 O ATOM 164 CB TYR A 662 -2.084 -0.946 -2.765 1.00 0.00 C ATOM 165 CG TYR A 662 -1.344 -1.870 -1.842 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.368 -3.243 -2.035 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.587 -1.363 -0.808 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.655 -4.085 -1.207 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.131 -2.187 0.023 1.00 0.00 C ATOM 170 CZ TYR A 662 0.097 -3.552 -0.176 1.00 0.00 C ATOM 171 OH TYR A 662 0.813 -4.386 0.651 1.00 0.00 O ATOM 0 H TYR A 662 0.300 -0.457 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.452 -1.702 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.206 0.027 -2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.084 -1.338 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.952 -3.658 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.558 -0.295 -0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.684 -5.153 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.719 -1.769 0.827 1.00 0.00 H new ATOM 0 HH TYR A 662 0.551 -4.227 1.582 1.00 0.00 H new ATOM 181 N ARG A 663 -1.298 1.504 -4.912 1.00 0.00 N ATOM 182 CA ARG A 663 -1.776 2.623 -5.705 1.00 0.00 C ATOM 183 C ARG A 663 -1.336 2.480 -7.158 1.00 0.00 C ATOM 184 O ARG A 663 -1.695 3.295 -8.007 1.00 0.00 O ATOM 185 CB ARG A 663 -1.276 3.953 -5.133 1.00 0.00 C ATOM 186 CG ARG A 663 -2.354 4.748 -4.413 1.00 0.00 C ATOM 187 CD ARG A 663 -2.061 4.869 -2.927 1.00 0.00 C ATOM 188 NE ARG A 663 -0.988 5.823 -2.656 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.145 7.144 -2.686 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.328 7.672 -2.975 1.00 0.00 N ATOM 191 NH2 ARG A 663 -0.117 7.940 -2.426 1.00 0.00 N ATOM 0 H ARG A 663 -0.455 1.691 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.865 2.618 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.457 3.757 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.870 4.558 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.428 5.743 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.320 4.264 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.965 5.182 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.785 3.892 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.064 5.455 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -3.122 7.064 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -2.443 8.685 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.794 7.540 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.237 8.953 -2.449 1.00 0.00 H new ATOM 205 N SER A 664 -0.554 1.439 -7.441 1.00 0.00 N ATOM 206 CA SER A 664 -0.074 1.200 -8.792 1.00 0.00 C ATOM 207 C SER A 664 0.418 -0.235 -8.967 1.00 0.00 C ATOM 208 O SER A 664 1.216 -0.529 -9.857 1.00 0.00 O ATOM 209 CB SER A 664 1.017 2.202 -9.134 1.00 0.00 C ATOM 210 OG SER A 664 1.743 1.807 -10.286 1.00 0.00 O ATOM 0 H SER A 664 -0.243 0.753 -6.753 1.00 0.00 H new ATOM 0 HA SER A 664 -0.906 1.336 -9.483 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.572 3.183 -9.302 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.699 2.301 -8.289 1.00 0.00 H new ATOM 0 HG SER A 664 1.340 0.999 -10.666 1.00 0.00 H new ATOM 216 N VAL A 665 -0.091 -1.127 -8.125 1.00 0.00 N ATOM 217 CA VAL A 665 0.259 -2.537 -8.188 1.00 0.00 C ATOM 218 C VAL A 665 -1.000 -3.380 -8.391 1.00 0.00 C ATOM 219 O VAL A 665 -0.924 -4.593 -8.584 1.00 0.00 O ATOM 220 CB VAL A 665 1.021 -3.003 -6.916 1.00 0.00 C ATOM 221 CG1 VAL A 665 0.068 -3.312 -5.762 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.892 -4.210 -7.230 1.00 0.00 C ATOM 0 H VAL A 665 -0.753 -0.893 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 665 0.928 -2.675 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 665 1.661 -2.180 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.641 -3.634 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.501 -2.417 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.618 -4.106 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.418 -4.523 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.266 -5.028 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.617 -3.945 -8.000 1.00 0.00 H new ATOM 232 N GLY A 666 -2.163 -2.719 -8.349 1.00 0.00 N ATOM 233 CA GLY A 666 -3.421 -3.416 -8.534 1.00 0.00 C ATOM 234 C GLY A 666 -4.256 -3.451 -7.270 1.00 0.00 C ATOM 235 O GLY A 666 -4.677 -4.520 -6.830 1.00 0.00 O ATOM 0 H GLY A 666 -2.249 -1.715 -8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.989 -2.930 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.223 -4.436 -8.863 1.00 0.00 H new ATOM 239 N LYS A 667 -4.493 -2.281 -6.679 1.00 0.00 N ATOM 240 CA LYS A 667 -5.282 -2.197 -5.453 1.00 0.00 C ATOM 241 C LYS A 667 -5.337 -0.764 -4.918 1.00 0.00 C ATOM 242 O LYS A 667 -5.282 -0.549 -3.710 1.00 0.00 O ATOM 243 CB LYS A 667 -4.690 -3.126 -4.386 1.00 0.00 C ATOM 244 CG LYS A 667 -5.681 -4.134 -3.828 1.00 0.00 C ATOM 245 CD LYS A 667 -5.449 -5.522 -4.400 1.00 0.00 C ATOM 246 CE LYS A 667 -5.975 -6.603 -3.470 1.00 0.00 C ATOM 247 NZ LYS A 667 -6.292 -7.860 -4.201 1.00 0.00 N ATOM 0 H LYS A 667 -4.152 -1.385 -7.027 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.300 -2.509 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.844 -3.663 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.302 -2.521 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.594 -4.168 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -6.697 -3.811 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.940 -5.604 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -4.383 -5.673 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -5.234 -6.809 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -6.870 -6.242 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -6.648 -8.571 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -7.018 -7.669 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -5.432 -8.219 -4.663 1.00 0.00 H new ATOM 261 N ILE A 668 -5.449 0.216 -5.817 1.00 0.00 N ATOM 262 CA ILE A 668 -5.515 1.624 -5.408 1.00 0.00 C ATOM 263 C ILE A 668 -6.551 1.803 -4.317 1.00 0.00 C ATOM 264 O ILE A 668 -6.260 2.306 -3.232 1.00 0.00 O ATOM 265 CB ILE A 668 -5.879 2.548 -6.592 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.650 2.812 -7.449 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.472 3.866 -6.102 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.097 1.570 -8.102 1.00 0.00 C ATOM 0 H ILE A 668 -5.496 0.065 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.526 1.899 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.633 2.042 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.904 3.537 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.875 3.264 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.718 4.495 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.376 3.667 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.746 4.379 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.222 1.831 -8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.812 0.851 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.857 1.129 -8.747 1.00 0.00 H new ATOM 280 N GLU A 669 -7.759 1.376 -4.624 1.00 0.00 N ATOM 281 CA GLU A 669 -8.867 1.462 -3.696 1.00 0.00 C ATOM 282 C GLU A 669 -8.480 0.860 -2.353 1.00 0.00 C ATOM 283 O GLU A 669 -8.878 1.354 -1.299 1.00 0.00 O ATOM 284 CB GLU A 669 -10.061 0.736 -4.301 1.00 0.00 C ATOM 285 CG GLU A 669 -11.387 1.447 -4.083 1.00 0.00 C ATOM 286 CD GLU A 669 -11.803 2.284 -5.277 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.472 1.738 -6.180 1.00 0.00 O ATOM 288 OE2 GLU A 669 -11.460 3.485 -5.309 1.00 0.00 O ATOM 0 H GLU A 669 -8.000 0.960 -5.524 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.131 2.505 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.896 0.615 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.121 -0.264 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.161 0.708 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.312 2.087 -3.204 1.00 0.00 H new ATOM 295 N GLU A 670 -7.670 -0.188 -2.402 1.00 0.00 N ATOM 296 CA GLU A 670 -7.191 -0.831 -1.191 1.00 0.00 C ATOM 297 C GLU A 670 -6.019 -0.042 -0.633 1.00 0.00 C ATOM 298 O GLU A 670 -5.775 -0.049 0.574 1.00 0.00 O ATOM 299 CB GLU A 670 -6.777 -2.277 -1.470 1.00 0.00 C ATOM 300 CG GLU A 670 -6.565 -3.103 -0.212 1.00 0.00 C ATOM 301 CD GLU A 670 -7.870 -3.568 0.405 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.678 -2.705 0.804 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.081 -4.796 0.491 1.00 0.00 O ATOM 0 H GLU A 670 -7.332 -0.609 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.997 -0.850 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.542 -2.753 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.856 -2.276 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -5.950 -3.971 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -6.012 -2.512 0.518 1.00 0.00 H new ATOM 310 N ALA A 671 -5.307 0.668 -1.512 1.00 0.00 N ATOM 311 CA ALA A 671 -4.190 1.480 -1.075 1.00 0.00 C ATOM 312 C ALA A 671 -4.692 2.559 -0.136 1.00 0.00 C ATOM 313 O ALA A 671 -4.022 2.912 0.836 1.00 0.00 O ATOM 314 CB ALA A 671 -3.457 2.080 -2.259 1.00 0.00 C ATOM 0 H ALA A 671 -5.488 0.692 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.478 0.850 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.623 2.685 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.079 1.280 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.141 2.707 -2.831 1.00 0.00 H new ATOM 320 N GLU A 672 -5.901 3.053 -0.404 1.00 0.00 N ATOM 321 CA GLU A 672 -6.500 4.057 0.459 1.00 0.00 C ATOM 322 C GLU A 672 -6.679 3.469 1.853 1.00 0.00 C ATOM 323 O GLU A 672 -6.722 4.192 2.848 1.00 0.00 O ATOM 324 CB GLU A 672 -7.847 4.519 -0.105 1.00 0.00 C ATOM 325 CG GLU A 672 -7.800 4.865 -1.585 1.00 0.00 C ATOM 326 CD GLU A 672 -7.816 6.362 -1.835 1.00 0.00 C ATOM 327 OE1 GLU A 672 -8.857 6.997 -1.567 1.00 0.00 O ATOM 328 OE2 GLU A 672 -6.787 6.897 -2.299 1.00 0.00 O ATOM 0 H GLU A 672 -6.474 2.776 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.844 4.926 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.586 3.734 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.185 5.392 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.900 4.436 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.651 4.407 -2.089 1.00 0.00 H new ATOM 335 N ALA A 673 -6.749 2.138 1.910 1.00 0.00 N ATOM 336 CA ALA A 673 -6.886 1.431 3.171 1.00 0.00 C ATOM 337 C ALA A 673 -5.540 1.372 3.875 1.00 0.00 C ATOM 338 O ALA A 673 -5.461 1.434 5.102 1.00 0.00 O ATOM 339 CB ALA A 673 -7.433 0.030 2.940 1.00 0.00 C ATOM 0 H ALA A 673 -6.712 1.532 1.091 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.591 1.969 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.529 -0.485 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.411 0.095 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.751 -0.525 2.296 1.00 0.00 H new ATOM 345 N ILE A 674 -4.478 1.274 3.080 1.00 0.00 N ATOM 346 CA ILE A 674 -3.125 1.230 3.612 1.00 0.00 C ATOM 347 C ILE A 674 -2.820 2.519 4.351 1.00 0.00 C ATOM 348 O ILE A 674 -2.336 2.499 5.479 1.00 0.00 O ATOM 349 CB ILE A 674 -2.085 1.018 2.486 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.912 -0.466 2.212 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.739 1.637 2.831 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.743 -0.951 1.065 1.00 0.00 C ATOM 0 H ILE A 674 -4.532 1.224 2.063 1.00 0.00 H new ATOM 0 HA ILE A 674 -3.060 0.387 4.300 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.462 1.517 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.862 -0.671 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.176 -1.028 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 674 -0.039 1.465 2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.860 2.709 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.352 1.181 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.575 -2.018 0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.797 -0.775 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.463 -0.413 0.159 1.00 0.00 H new ATOM 364 N GLU A 675 -3.105 3.643 3.705 1.00 0.00 N ATOM 365 CA GLU A 675 -2.858 4.946 4.302 1.00 0.00 C ATOM 366 C GLU A 675 -3.402 5.001 5.725 1.00 0.00 C ATOM 367 O GLU A 675 -2.878 5.726 6.571 1.00 0.00 O ATOM 368 CB GLU A 675 -3.475 6.046 3.437 1.00 0.00 C ATOM 369 CG GLU A 675 -2.452 7.027 2.885 1.00 0.00 C ATOM 370 CD GLU A 675 -3.095 8.225 2.215 1.00 0.00 C ATOM 371 OE1 GLU A 675 -3.953 8.022 1.331 1.00 0.00 O ATOM 372 OE2 GLU A 675 -2.740 9.367 2.575 1.00 0.00 O ATOM 0 H GLU A 675 -3.507 3.677 2.768 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.781 5.109 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.012 5.587 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.210 6.593 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -1.809 7.370 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -1.813 6.514 2.167 1.00 0.00 H new ATOM 379 N LYS A 676 -4.440 4.214 5.996 1.00 0.00 N ATOM 380 CA LYS A 676 -5.021 4.169 7.331 1.00 0.00 C ATOM 381 C LYS A 676 -4.030 3.560 8.319 1.00 0.00 C ATOM 382 O LYS A 676 -4.049 3.875 9.508 1.00 0.00 O ATOM 383 CB LYS A 676 -6.325 3.367 7.323 1.00 0.00 C ATOM 384 CG LYS A 676 -7.458 4.039 8.081 1.00 0.00 C ATOM 385 CD LYS A 676 -8.729 3.207 8.036 1.00 0.00 C ATOM 386 CE LYS A 676 -9.501 3.438 6.747 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.973 3.415 6.969 1.00 0.00 N ATOM 0 H LYS A 676 -4.892 3.604 5.314 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.246 5.189 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.636 3.205 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.140 2.385 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.161 4.195 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.650 5.023 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.477 2.150 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -9.360 3.458 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.214 4.398 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.232 2.672 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.463 3.576 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -11.252 2.490 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -11.234 4.163 7.643 1.00 0.00 H new ATOM 401 N THR A 677 -3.151 2.697 7.812 1.00 0.00 N ATOM 402 CA THR A 677 -2.139 2.060 8.647 1.00 0.00 C ATOM 403 C THR A 677 -1.167 3.105 9.176 1.00 0.00 C ATOM 404 O THR A 677 -0.633 2.973 10.275 1.00 0.00 O ATOM 405 CB THR A 677 -1.373 0.986 7.865 1.00 0.00 C ATOM 406 OG1 THR A 677 -2.135 0.507 6.769 1.00 0.00 O ATOM 407 CG2 THR A 677 -0.996 -0.206 8.714 1.00 0.00 C ATOM 0 H THR A 677 -3.121 2.425 6.830 1.00 0.00 H new ATOM 0 HA THR A 677 -2.645 1.578 9.484 1.00 0.00 H new ATOM 0 HB THR A 677 -0.464 1.478 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.972 1.072 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.456 -0.931 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.361 0.120 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.899 -0.668 9.113 1.00 0.00 H new ATOM 415 N LEU A 678 -0.954 4.154 8.384 1.00 0.00 N ATOM 416 CA LEU A 678 -0.058 5.237 8.772 1.00 0.00 C ATOM 417 C LEU A 678 -0.426 5.740 10.157 1.00 0.00 C ATOM 418 O LEU A 678 0.440 6.089 10.959 1.00 0.00 O ATOM 419 CB LEU A 678 -0.149 6.381 7.758 1.00 0.00 C ATOM 420 CG LEU A 678 1.186 6.904 7.221 1.00 0.00 C ATOM 421 CD1 LEU A 678 2.165 5.764 6.975 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.952 7.695 5.944 1.00 0.00 C ATOM 0 H LEU A 678 -1.390 4.275 7.470 1.00 0.00 H new ATOM 0 HA LEU A 678 0.965 4.862 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.752 6.046 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.682 7.211 8.222 1.00 0.00 H new ATOM 0 HG LEU A 678 1.627 7.561 7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 678 3.104 6.166 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 678 2.350 5.235 7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.743 5.073 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.905 8.065 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.490 7.050 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.293 8.537 6.153 1.00 0.00 H new ATOM 434 N LYS A 679 -1.724 5.755 10.432 1.00 0.00 N ATOM 435 CA LYS A 679 -2.226 6.194 11.723 1.00 0.00 C ATOM 436 C LYS A 679 -1.619 5.357 12.850 1.00 0.00 C ATOM 437 O LYS A 679 -1.599 5.777 14.007 1.00 0.00 O ATOM 438 CB LYS A 679 -3.748 6.085 11.742 1.00 0.00 C ATOM 439 CG LYS A 679 -4.376 6.516 13.057 1.00 0.00 C ATOM 440 CD LYS A 679 -5.761 7.108 12.845 1.00 0.00 C ATOM 441 CE LYS A 679 -6.037 8.243 13.817 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.833 9.333 13.189 1.00 0.00 N ATOM 0 H LYS A 679 -2.448 5.467 9.774 1.00 0.00 H new ATOM 0 HA LYS A 679 -1.938 7.233 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.157 6.696 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.032 5.053 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.444 5.659 13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.735 7.251 13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -5.848 7.474 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.514 6.329 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -6.573 7.856 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.092 8.647 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -6.999 10.087 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.311 9.720 12.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -7.746 8.954 12.865 1.00 0.00 H new ATOM 456 N ASN A 680 -1.120 4.170 12.498 1.00 0.00 N ATOM 457 CA ASN A 680 -0.505 3.267 13.467 1.00 0.00 C ATOM 458 C ASN A 680 0.473 4.012 14.373 1.00 0.00 C ATOM 459 O ASN A 680 0.664 3.643 15.533 1.00 0.00 O ATOM 460 CB ASN A 680 0.221 2.132 12.739 1.00 0.00 C ATOM 461 CG ASN A 680 0.822 1.120 13.694 1.00 0.00 C ATOM 462 OD1 ASN A 680 1.613 1.471 14.570 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.449 -0.143 13.531 1.00 0.00 N ATOM 0 H ASN A 680 -1.131 3.812 11.543 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.296 2.850 14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 680 -0.478 1.627 12.072 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.010 2.551 12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 680 0.820 -0.868 14.145 1.00 0.00 H new ATOM 0 HD22 ASN A 680 -0.209 -0.389 12.792 1.00 0.00 H new ATOM 470 N LYS A 681 1.088 5.061 13.836 1.00 0.00 N ATOM 471 CA LYS A 681 2.046 5.857 14.595 1.00 0.00 C ATOM 472 C LYS A 681 1.580 7.304 14.709 1.00 0.00 C ATOM 473 O LYS A 681 2.393 8.229 14.736 1.00 0.00 O ATOM 474 CB LYS A 681 3.424 5.802 13.934 1.00 0.00 C ATOM 475 CG LYS A 681 4.575 5.787 14.927 1.00 0.00 C ATOM 476 CD LYS A 681 5.813 6.459 14.356 1.00 0.00 C ATOM 477 CE LYS A 681 6.704 7.011 15.456 1.00 0.00 C ATOM 478 NZ LYS A 681 6.997 5.988 16.498 1.00 0.00 N ATOM 0 H LYS A 681 0.940 5.380 12.878 1.00 0.00 H new ATOM 0 HA LYS A 681 2.116 5.437 15.598 1.00 0.00 H new ATOM 0 HB2 LYS A 681 3.483 4.911 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 681 3.536 6.662 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 681 4.273 6.296 15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 681 4.810 4.758 15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 681 6.374 5.742 13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 681 5.514 7.267 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 681 7.639 7.366 15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 681 6.220 7.872 15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 7.794 6.308 17.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 6.158 5.854 17.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 7.243 5.087 16.040 1.00 0.00 H new ATOM 492 N GLN A 682 0.267 7.496 14.776 1.00 0.00 N ATOM 493 CA GLN A 682 -0.308 8.831 14.886 1.00 0.00 C ATOM 494 C GLN A 682 0.077 9.690 13.686 1.00 0.00 C ATOM 495 O GLN A 682 0.231 10.906 13.804 1.00 0.00 O ATOM 496 CB GLN A 682 0.158 9.503 16.180 1.00 0.00 C ATOM 497 CG GLN A 682 -0.535 8.972 17.424 1.00 0.00 C ATOM 498 CD GLN A 682 -0.829 10.062 18.436 1.00 0.00 C ATOM 499 OE1 GLN A 682 0.083 10.663 19.002 1.00 0.00 O ATOM 500 NE2 GLN A 682 -2.111 10.321 18.670 1.00 0.00 N ATOM 0 H GLN A 682 -0.420 6.742 14.756 1.00 0.00 H new ATOM 0 HA GLN A 682 -1.393 8.732 14.905 1.00 0.00 H new ATOM 0 HB2 GLN A 682 1.234 9.363 16.286 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.018 10.576 16.106 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -1.468 8.486 17.137 1.00 0.00 H new ATOM 0 HG3 GLN A 682 0.092 8.210 17.888 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -2.835 9.798 18.178 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -2.371 11.043 19.342 1.00 0.00 H new ATOM 509 N ASN A 683 0.232 9.049 12.532 1.00 0.00 N ATOM 510 CA ASN A 683 0.598 9.755 11.309 1.00 0.00 C ATOM 511 C ASN A 683 -0.579 9.815 10.342 1.00 0.00 C ATOM 512 O ASN A 683 -1.088 8.740 9.963 1.00 0.00 O ATOM 513 CB ASN A 683 1.790 9.069 10.638 1.00 0.00 C ATOM 514 CG ASN A 683 3.119 9.556 11.181 1.00 0.00 C ATOM 515 OD1 ASN A 683 3.399 9.428 12.373 1.00 0.00 O ATOM 516 ND2 ASN A 683 3.945 10.119 10.307 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.983 10.939 9.972 1.00 0.00 O ATOM 0 H ASN A 683 0.110 8.043 12.418 1.00 0.00 H new ATOM 0 HA ASN A 683 0.877 10.774 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 683 1.714 7.991 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 683 1.752 9.249 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 683 4.853 10.466 10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 683 3.671 10.204 9.328 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 3.258 -8.400 19.961 1.00 0.00 N ATOM 526 CA ARG B 405 2.236 -9.455 20.222 1.00 0.00 C ATOM 527 C ARG B 405 0.943 -8.871 20.800 1.00 0.00 C ATOM 528 O ARG B 405 -0.149 -9.201 20.340 1.00 0.00 O ATOM 529 CB ARG B 405 2.826 -10.484 21.191 1.00 0.00 C ATOM 530 CG ARG B 405 3.515 -11.648 20.496 1.00 0.00 C ATOM 531 CD ARG B 405 4.160 -12.594 21.496 1.00 0.00 C ATOM 532 NE ARG B 405 4.912 -11.878 22.526 1.00 0.00 N ATOM 533 CZ ARG B 405 4.382 -11.441 23.667 1.00 0.00 C ATOM 534 NH1 ARG B 405 3.096 -11.637 23.932 1.00 0.00 N ATOM 535 NH2 ARG B 405 5.142 -10.804 24.547 1.00 0.00 N ATOM 0 HA ARG B 405 1.979 -9.928 19.274 1.00 0.00 H new ATOM 0 HB2 ARG B 405 3.542 -9.986 21.845 1.00 0.00 H new ATOM 0 HB3 ARG B 405 2.029 -10.871 21.827 1.00 0.00 H new ATOM 0 HG2 ARG B 405 2.789 -12.194 19.894 1.00 0.00 H new ATOM 0 HG3 ARG B 405 4.274 -11.267 19.813 1.00 0.00 H new ATOM 0 HD2 ARG B 405 3.389 -13.202 21.968 1.00 0.00 H new ATOM 0 HD3 ARG B 405 4.827 -13.277 20.970 1.00 0.00 H new ATOM 0 HE ARG B 405 5.903 -11.703 22.360 1.00 0.00 H new ATOM 0 HH11 ARG B 405 2.505 -12.126 23.259 1.00 0.00 H new ATOM 0 HH12 ARG B 405 2.699 -11.299 24.808 1.00 0.00 H new ATOM 0 HH21 ARG B 405 6.131 -10.649 24.350 1.00 0.00 H new ATOM 0 HH22 ARG B 405 4.738 -10.469 25.421 1.00 0.00 H new ATOM 550 N PRO B 406 1.045 -8.001 21.823 1.00 0.00 N ATOM 551 CA PRO B 406 -0.127 -7.390 22.460 1.00 0.00 C ATOM 552 C PRO B 406 -1.149 -6.848 21.457 1.00 0.00 C ATOM 553 O PRO B 406 -2.351 -7.049 21.626 1.00 0.00 O ATOM 554 CB PRO B 406 0.475 -6.252 23.284 1.00 0.00 C ATOM 555 CG PRO B 406 1.852 -6.715 23.614 1.00 0.00 C ATOM 556 CD PRO B 406 2.306 -7.553 22.448 1.00 0.00 C ATOM 0 HA PRO B 406 -0.687 -8.118 23.047 1.00 0.00 H new ATOM 0 HB2 PRO B 406 0.495 -5.320 22.718 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -0.107 -6.065 24.186 1.00 0.00 H new ATOM 0 HG2 PRO B 406 2.521 -5.868 23.768 1.00 0.00 H new ATOM 0 HG3 PRO B 406 1.856 -7.296 24.536 1.00 0.00 H new ATOM 0 HD2 PRO B 406 2.914 -6.974 21.752 1.00 0.00 H new ATOM 0 HD3 PRO B 406 2.913 -8.398 22.775 1.00 0.00 H new ATOM 564 N PRO B 407 -0.695 -6.150 20.398 1.00 0.00 N ATOM 565 CA PRO B 407 -1.593 -5.586 19.383 1.00 0.00 C ATOM 566 C PRO B 407 -2.324 -6.671 18.593 1.00 0.00 C ATOM 567 O PRO B 407 -1.709 -7.401 17.816 1.00 0.00 O ATOM 568 CB PRO B 407 -0.654 -4.795 18.459 1.00 0.00 C ATOM 569 CG PRO B 407 0.611 -4.635 19.231 1.00 0.00 C ATOM 570 CD PRO B 407 0.713 -5.851 20.101 1.00 0.00 C ATOM 0 HA PRO B 407 -2.377 -4.976 19.832 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -0.480 -5.328 17.524 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -1.082 -3.827 18.199 1.00 0.00 H new ATOM 0 HG2 PRO B 407 1.470 -4.558 18.564 1.00 0.00 H new ATOM 0 HG3 PRO B 407 0.591 -3.725 19.831 1.00 0.00 H new ATOM 0 HD2 PRO B 407 1.203 -6.678 19.587 1.00 0.00 H new ATOM 0 HD3 PRO B 407 1.286 -5.654 21.007 1.00 0.00 H new ATOM 578 N PRO B 408 -3.652 -6.793 18.780 1.00 0.00 N ATOM 579 CA PRO B 408 -4.456 -7.798 18.076 1.00 0.00 C ATOM 580 C PRO B 408 -4.251 -7.749 16.566 1.00 0.00 C ATOM 581 O PRO B 408 -3.449 -6.961 16.063 1.00 0.00 O ATOM 582 CB PRO B 408 -5.895 -7.418 18.433 1.00 0.00 C ATOM 583 CG PRO B 408 -5.785 -6.695 19.730 1.00 0.00 C ATOM 584 CD PRO B 408 -4.470 -5.967 19.687 1.00 0.00 C ATOM 0 HA PRO B 408 -4.185 -8.813 18.367 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -6.340 -6.786 17.664 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -6.527 -8.302 18.525 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -6.613 -5.998 19.860 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -5.819 -7.390 20.569 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -4.585 -4.951 19.311 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -4.020 -5.891 20.677 1.00 0.00 H new ATOM 592 N ALA B 409 -4.981 -8.596 15.847 1.00 0.00 N ATOM 593 CA ALA B 409 -4.879 -8.649 14.394 1.00 0.00 C ATOM 594 C ALA B 409 -5.906 -9.610 13.807 1.00 0.00 C ATOM 595 O ALA B 409 -6.568 -9.299 12.817 1.00 0.00 O ATOM 596 CB ALA B 409 -3.474 -9.056 13.979 1.00 0.00 C ATOM 0 H ALA B 409 -5.649 -9.255 16.247 1.00 0.00 H new ATOM 0 HA ALA B 409 -5.087 -7.653 14.003 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -3.412 -9.092 12.891 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -2.757 -8.329 14.360 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -3.244 -10.040 14.388 1.00 0.00 H new ATOM 602 N HIS B 410 -6.034 -10.781 14.424 1.00 0.00 N ATOM 603 CA HIS B 410 -6.981 -11.794 13.966 1.00 0.00 C ATOM 604 C HIS B 410 -6.556 -12.368 12.617 1.00 0.00 C ATOM 605 O HIS B 410 -6.147 -13.525 12.525 1.00 0.00 O ATOM 606 CB HIS B 410 -8.389 -11.204 13.864 1.00 0.00 C ATOM 607 CG HIS B 410 -9.461 -12.129 14.351 1.00 0.00 C ATOM 608 ND1 HIS B 410 -10.572 -12.455 13.601 1.00 0.00 N ATOM 609 CD2 HIS B 410 -9.590 -12.800 15.521 1.00 0.00 C ATOM 610 CE1 HIS B 410 -11.337 -13.285 14.288 1.00 0.00 C ATOM 611 NE2 HIS B 410 -10.763 -13.510 15.455 1.00 0.00 N ATOM 0 H HIS B 410 -5.493 -11.053 15.245 1.00 0.00 H new ATOM 0 HA HIS B 410 -6.989 -12.602 14.698 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -8.429 -10.279 14.439 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -8.590 -10.942 12.825 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -8.899 -12.780 16.351 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -12.272 -13.707 13.952 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -11.132 -14.114 16.190 1.00 0.00 H new ATOM 620 N HIS B 411 -6.657 -11.551 11.573 1.00 0.00 N ATOM 621 CA HIS B 411 -6.283 -11.979 10.230 1.00 0.00 C ATOM 622 C HIS B 411 -4.956 -11.356 9.810 1.00 0.00 C ATOM 623 O HIS B 411 -4.495 -10.388 10.414 1.00 0.00 O ATOM 624 CB HIS B 411 -7.377 -11.600 9.229 1.00 0.00 C ATOM 625 CG HIS B 411 -7.854 -10.189 9.370 1.00 0.00 C ATOM 626 ND1 HIS B 411 -7.407 -9.159 8.570 1.00 0.00 N ATOM 627 CD2 HIS B 411 -8.746 -9.636 10.226 1.00 0.00 C ATOM 628 CE1 HIS B 411 -8.003 -8.035 8.926 1.00 0.00 C ATOM 629 NE2 HIS B 411 -8.820 -8.298 9.930 1.00 0.00 N ATOM 0 H HIS B 411 -6.994 -10.590 11.631 1.00 0.00 H new ATOM 0 HA HIS B 411 -6.168 -13.063 10.240 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -6.999 -11.748 8.217 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -8.223 -12.275 9.355 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -9.297 -10.152 10.998 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -7.849 -7.067 8.473 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -9.410 -7.617 10.408 1.00 0.00 H new ATOM 638 N ASN B 412 -4.346 -11.919 8.772 1.00 0.00 N ATOM 639 CA ASN B 412 -3.071 -11.418 8.272 1.00 0.00 C ATOM 640 C ASN B 412 -2.957 -11.631 6.765 1.00 0.00 C ATOM 641 O ASN B 412 -2.375 -12.615 6.311 1.00 0.00 O ATOM 642 CB ASN B 412 -1.910 -12.112 8.986 1.00 0.00 C ATOM 643 CG ASN B 412 -1.467 -11.366 10.230 1.00 0.00 C ATOM 644 OD1 ASN B 412 -2.016 -11.562 11.314 1.00 0.00 O ATOM 645 ND2 ASN B 412 -0.469 -10.503 10.078 1.00 0.00 N ATOM 0 H ASN B 412 -4.714 -12.722 8.261 1.00 0.00 H new ATOM 0 HA ASN B 412 -3.025 -10.348 8.475 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -2.208 -13.124 9.260 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -1.067 -12.202 8.300 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -0.128 -9.971 10.879 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -0.043 -10.372 9.160 1.00 0.00 H new ATOM 652 N MET B 413 -3.515 -10.702 5.997 1.00 0.00 N ATOM 653 CA MET B 413 -3.476 -10.788 4.542 1.00 0.00 C ATOM 654 C MET B 413 -2.484 -9.784 3.965 1.00 0.00 C ATOM 655 O MET B 413 -1.854 -10.038 2.938 1.00 0.00 O ATOM 656 CB MET B 413 -4.868 -10.542 3.957 1.00 0.00 C ATOM 657 CG MET B 413 -5.155 -11.357 2.708 1.00 0.00 C ATOM 658 SD MET B 413 -6.751 -10.956 1.969 1.00 0.00 S ATOM 659 CE MET B 413 -7.440 -12.593 1.741 1.00 0.00 C ATOM 0 H MET B 413 -4.000 -9.880 6.358 1.00 0.00 H new ATOM 0 HA MET B 413 -3.149 -11.792 4.271 1.00 0.00 H new ATOM 0 HB2 MET B 413 -5.617 -10.776 4.713 1.00 0.00 H new ATOM 0 HB3 MET B 413 -4.972 -9.483 3.722 1.00 0.00 H new ATOM 0 HG2 MET B 413 -4.366 -11.183 1.976 1.00 0.00 H new ATOM 0 HG3 MET B 413 -5.131 -12.418 2.957 1.00 0.00 H new ATOM 0 HE1 MET B 413 -8.430 -12.512 1.291 1.00 0.00 H new ATOM 0 HE2 MET B 413 -6.790 -13.173 1.086 1.00 0.00 H new ATOM 0 HE3 MET B 413 -7.520 -13.092 2.707 1.00 0.00 H new ATOM 669 N PHE B 414 -2.350 -8.642 4.631 1.00 0.00 N ATOM 670 CA PHE B 414 -1.434 -7.599 4.184 1.00 0.00 C ATOM 671 C PHE B 414 0.010 -8.091 4.219 1.00 0.00 C ATOM 672 O PHE B 414 0.718 -8.038 3.213 1.00 0.00 O ATOM 673 CB PHE B 414 -1.588 -6.351 5.056 1.00 0.00 C ATOM 674 CG PHE B 414 -1.118 -5.087 4.391 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.622 -4.704 3.156 1.00 0.00 C ATOM 676 CD2 PHE B 414 -0.171 -4.279 5.001 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.190 -3.546 2.546 1.00 0.00 C ATOM 678 CE2 PHE B 414 0.263 -3.117 4.393 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.248 -2.750 3.163 1.00 0.00 C ATOM 0 H PHE B 414 -2.864 -8.415 5.482 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.683 -7.345 3.154 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.637 -6.238 5.331 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -1.029 -6.494 5.981 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -2.362 -5.321 2.667 1.00 0.00 H new ATOM 0 HD2 PHE B 414 0.232 -4.561 5.962 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.590 -3.262 1.584 1.00 0.00 H new ATOM 0 HE2 PHE B 414 1.001 -2.496 4.879 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.089 -1.842 2.686 1.00 0.00 H new ATOM 689 N SER B 415 0.442 -8.574 5.382 1.00 0.00 N ATOM 690 CA SER B 415 1.803 -9.078 5.545 1.00 0.00 C ATOM 691 C SER B 415 2.827 -8.036 5.096 1.00 0.00 C ATOM 692 O SER B 415 2.516 -6.849 5.012 1.00 0.00 O ATOM 693 CB SER B 415 1.982 -10.372 4.747 1.00 0.00 C ATOM 694 OG SER B 415 3.250 -10.956 4.997 1.00 0.00 O ATOM 0 H SER B 415 -0.131 -8.627 6.225 1.00 0.00 H new ATOM 0 HA SER B 415 1.968 -9.285 6.602 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.195 -11.078 5.012 1.00 0.00 H new ATOM 0 HB3 SER B 415 1.878 -10.163 3.682 1.00 0.00 H new ATOM 0 HG SER B 415 3.727 -11.079 4.149 1.00 0.00 H new ATOM 700 N VAL B 416 4.049 -8.484 4.804 1.00 0.00 N ATOM 701 CA VAL B 416 5.101 -7.576 4.362 1.00 0.00 C ATOM 702 C VAL B 416 5.857 -8.129 3.150 1.00 0.00 C ATOM 703 O VAL B 416 7.083 -8.248 3.174 1.00 0.00 O ATOM 704 CB VAL B 416 6.106 -7.279 5.494 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.981 -6.088 5.131 1.00 0.00 C ATOM 706 CG2 VAL B 416 5.378 -7.030 6.807 1.00 0.00 C ATOM 0 H VAL B 416 4.330 -9.462 4.866 1.00 0.00 H new ATOM 0 HA VAL B 416 4.605 -6.649 4.074 1.00 0.00 H new ATOM 0 HB VAL B 416 6.748 -8.151 5.621 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.684 -5.893 5.941 1.00 0.00 H new ATOM 0 HG12 VAL B 416 7.533 -6.307 4.217 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.354 -5.210 4.975 1.00 0.00 H new ATOM 0 HG21 VAL B 416 6.105 -6.822 7.592 1.00 0.00 H new ATOM 0 HG22 VAL B 416 4.710 -6.176 6.696 1.00 0.00 H new ATOM 0 HG23 VAL B 416 4.797 -7.913 7.074 1.00 0.00 H new ATOM 716 N PRO B 417 5.137 -8.460 2.060 1.00 0.00 N ATOM 717 CA PRO B 417 5.749 -8.978 0.830 1.00 0.00 C ATOM 718 C PRO B 417 6.745 -7.988 0.237 1.00 0.00 C ATOM 719 O PRO B 417 6.609 -6.779 0.430 1.00 0.00 O ATOM 720 CB PRO B 417 4.564 -9.173 -0.125 1.00 0.00 C ATOM 721 CG PRO B 417 3.360 -9.209 0.748 1.00 0.00 C ATOM 722 CD PRO B 417 3.674 -8.333 1.927 1.00 0.00 C ATOM 0 HA PRO B 417 6.310 -9.895 1.012 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.502 -8.359 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.665 -10.097 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.481 -8.845 0.215 1.00 0.00 H new ATOM 0 HG3 PRO B 417 3.140 -10.228 1.067 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.374 -7.300 1.753 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.157 -8.668 2.826 1.00 0.00 H new ATOM 730 N PRO B 418 7.766 -8.471 -0.493 1.00 0.00 N ATOM 731 CA PRO B 418 8.767 -7.587 -1.094 1.00 0.00 C ATOM 732 C PRO B 418 8.099 -6.573 -2.018 1.00 0.00 C ATOM 733 O PRO B 418 7.144 -6.903 -2.720 1.00 0.00 O ATOM 734 CB PRO B 418 9.662 -8.540 -1.892 1.00 0.00 C ATOM 735 CG PRO B 418 9.447 -9.881 -1.275 1.00 0.00 C ATOM 736 CD PRO B 418 8.027 -9.891 -0.783 1.00 0.00 C ATOM 0 HA PRO B 418 9.321 -7.008 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.392 -8.544 -2.948 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.709 -8.241 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO B 418 9.613 -10.676 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO B 418 10.145 -10.049 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO B 418 7.342 -10.282 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.912 -10.512 0.105 1.00 0.00 H new ATOM 744 N PRO B 419 8.556 -5.310 -1.993 1.00 0.00 N ATOM 745 CA PRO B 419 7.945 -4.249 -2.801 1.00 0.00 C ATOM 746 C PRO B 419 8.192 -4.372 -4.305 1.00 0.00 C ATOM 747 O PRO B 419 9.306 -4.651 -4.747 1.00 0.00 O ATOM 748 CB PRO B 419 8.619 -2.980 -2.275 1.00 0.00 C ATOM 749 CG PRO B 419 9.912 -3.438 -1.695 1.00 0.00 C ATOM 750 CD PRO B 419 9.654 -4.810 -1.147 1.00 0.00 C ATOM 0 HA PRO B 419 6.859 -4.276 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.780 -2.258 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.002 -2.489 -1.523 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.694 -3.461 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.250 -2.761 -0.910 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.538 -5.444 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.369 -4.776 -0.095 1.00 0.00 H new ATOM 758 N PRO B 420 7.135 -4.136 -5.111 1.00 0.00 N ATOM 759 CA PRO B 420 7.210 -4.185 -6.571 1.00 0.00 C ATOM 760 C PRO B 420 7.875 -2.949 -7.190 1.00 0.00 C ATOM 761 O PRO B 420 8.834 -3.072 -7.952 1.00 0.00 O ATOM 762 CB PRO B 420 5.745 -4.272 -6.997 1.00 0.00 C ATOM 763 CG PRO B 420 4.988 -3.589 -5.910 1.00 0.00 C ATOM 764 CD PRO B 420 5.778 -3.797 -4.643 1.00 0.00 C ATOM 0 HA PRO B 420 7.825 -5.020 -6.908 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.583 -3.784 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO B 420 5.427 -5.309 -7.109 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.873 -2.527 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.985 -4.005 -5.815 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.783 -2.899 -4.025 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.354 -4.598 -4.037 1.00 0.00 H new ATOM 772 N ILE B 421 7.342 -1.759 -6.884 1.00 0.00 N ATOM 773 CA ILE B 421 7.875 -0.515 -7.446 1.00 0.00 C ATOM 774 C ILE B 421 8.882 0.163 -6.512 1.00 0.00 C ATOM 775 O ILE B 421 9.167 -0.332 -5.423 1.00 0.00 O ATOM 776 CB ILE B 421 6.734 0.472 -7.855 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.395 1.484 -6.733 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.496 -0.311 -8.277 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.906 1.729 -6.515 1.00 0.00 C ATOM 0 H ILE B 421 6.549 -1.633 -6.255 1.00 0.00 H new ATOM 0 HA ILE B 421 8.415 -0.794 -8.351 1.00 0.00 H new ATOM 0 HB ILE B 421 7.093 1.058 -8.701 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.830 1.127 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.874 2.435 -6.965 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.705 0.384 -8.561 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.741 -0.949 -9.127 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.155 -0.929 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.770 2.451 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.464 2.119 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.418 0.792 -6.247 1.00 0.00 H new ATOM 791 N LEU B 422 9.424 1.296 -6.953 1.00 0.00 N ATOM 792 CA LEU B 422 10.403 2.038 -6.164 1.00 0.00 C ATOM 793 C LEU B 422 10.385 3.510 -6.549 1.00 0.00 C ATOM 794 O LEU B 422 11.400 4.202 -6.456 1.00 0.00 O ATOM 795 CB LEU B 422 11.813 1.468 -6.375 1.00 0.00 C ATOM 796 CG LEU B 422 12.216 0.302 -5.459 1.00 0.00 C ATOM 797 CD1 LEU B 422 11.722 0.522 -4.036 1.00 0.00 C ATOM 798 CD2 LEU B 422 11.697 -1.019 -6.015 1.00 0.00 C ATOM 0 H LEU B 422 9.201 1.720 -7.853 1.00 0.00 H new ATOM 0 HA LEU B 422 10.136 1.939 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.897 1.136 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.533 2.275 -6.240 1.00 0.00 H new ATOM 0 HG LEU B 422 13.305 0.259 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.023 -0.320 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU B 422 12.154 1.441 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU B 422 10.635 0.603 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU B 422 11.992 -1.833 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU B 422 10.610 -0.983 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.118 -1.187 -7.006 1.00 0.00 H new ATOM 810 N GLY B 423 9.226 3.979 -6.990 1.00 0.00 N ATOM 811 CA GLY B 423 9.090 5.361 -7.394 1.00 0.00 C ATOM 812 C GLY B 423 8.597 6.252 -6.269 1.00 0.00 C ATOM 813 O GLY B 423 7.752 5.845 -5.472 1.00 0.00 O ATOM 0 H GLY B 423 8.375 3.423 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.053 5.729 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.397 5.424 -8.233 1.00 0.00 H new ATOM 817 N ARG B 424 9.127 7.468 -6.205 1.00 0.00 N ATOM 818 CA ARG B 424 8.736 8.418 -5.169 1.00 0.00 C ATOM 819 C ARG B 424 7.502 9.208 -5.593 1.00 0.00 C ATOM 820 O ARG B 424 7.532 9.941 -6.583 1.00 0.00 O ATOM 821 CB ARG B 424 9.889 9.376 -4.865 1.00 0.00 C ATOM 822 CG ARG B 424 10.278 10.254 -6.042 1.00 0.00 C ATOM 823 CD ARG B 424 9.614 11.619 -5.962 1.00 0.00 C ATOM 824 NE ARG B 424 9.379 12.192 -7.286 1.00 0.00 N ATOM 825 CZ ARG B 424 9.046 13.464 -7.494 1.00 0.00 C ATOM 826 NH1 ARG B 424 8.909 14.297 -6.470 1.00 0.00 N ATOM 827 NH2 ARG B 424 8.851 13.904 -8.729 1.00 0.00 N ATOM 0 H ARG B 424 9.828 7.820 -6.857 1.00 0.00 H new ATOM 0 HA ARG B 424 8.493 7.855 -4.268 1.00 0.00 H new ATOM 0 HB2 ARG B 424 9.610 10.012 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG B 424 10.758 8.797 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG B 424 11.361 10.376 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG B 424 9.993 9.764 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG B 424 8.666 11.530 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG B 424 10.242 12.294 -5.381 1.00 0.00 H new ATOM 0 HE ARG B 424 9.476 11.582 -8.098 1.00 0.00 H new ATOM 0 HH11 ARG B 424 9.059 13.964 -5.518 1.00 0.00 H new ATOM 0 HH12 ARG B 424 8.654 15.271 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG B 424 8.956 13.268 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG B 424 8.596 14.879 -8.889 1.00 0.00 H new ATOM 841 N GLY B 425 6.420 9.055 -4.838 1.00 0.00 N ATOM 842 CA GLY B 425 5.191 9.761 -5.152 1.00 0.00 C ATOM 843 C GLY B 425 4.658 9.413 -6.528 1.00 0.00 C ATOM 844 O GLY B 425 4.794 10.249 -7.447 1.00 0.00 O ATOM 845 OXT GLY B 425 4.105 8.304 -6.688 1.00 0.00 O ATOM 0 H GLY B 425 6.371 8.455 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY B 425 4.437 9.522 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY B 425 5.368 10.835 -5.095 1.00 0.00 H new TER 849 GLY B 425