USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-0.84) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -69:sc= -0.408 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0315 (180deg=-0.275) USER MOD Single : A 37 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : A 49 SER OG : rot 41:sc= 0.401 USER MOD Single : A 51 SER OG : rot 170:sc= 1.52 USER MOD Single : A 52 SER OG : rot -160:sc= -2.46! USER MOD Single : A 67 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.084) USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= -0.0487 (180deg=-1.11) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.634 K(o=0.63,f=-0.47) USER MOD Single : A 91 TYR OH : rot 92:sc= 1.35 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 94 HIS : no HD1:sc=-0.00256 K(o=-0.0026,f=-1) USER MOD Single : A 98 LYS NZ :NH3+ -110:sc= -8.86! (180deg=-12.9!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.241 10.203 -6.791 1.00 0.00 N ATOM 28 CA LEU A 23 -6.324 8.796 -6.431 1.00 0.00 C ATOM 29 C LEU A 23 -6.220 8.613 -4.923 1.00 0.00 C ATOM 30 O LEU A 23 -5.383 9.228 -4.267 1.00 0.00 O ATOM 31 CB LEU A 23 -5.242 8.007 -7.158 1.00 0.00 C ATOM 32 CG LEU A 23 -5.458 7.907 -8.667 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.701 9.009 -9.392 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.046 6.535 -9.176 1.00 0.00 C ATOM 0 HA LEU A 23 -7.296 8.413 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.276 8.475 -6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.196 7.001 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.520 8.038 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.868 8.920 -10.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.056 9.981 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.635 8.917 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.207 6.483 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.991 6.368 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.644 5.769 -8.682 1.00 0.00 H new ATOM 46 N ARG A 24 -7.097 7.777 -4.382 1.00 0.00 N ATOM 47 CA ARG A 24 -7.132 7.519 -2.949 1.00 0.00 C ATOM 48 C ARG A 24 -6.495 6.172 -2.614 1.00 0.00 C ATOM 49 O ARG A 24 -6.911 5.130 -3.122 1.00 0.00 O ATOM 50 CB ARG A 24 -8.583 7.570 -2.455 1.00 0.00 C ATOM 51 CG ARG A 24 -8.773 7.147 -1.007 1.00 0.00 C ATOM 52 CD ARG A 24 -10.228 6.814 -0.717 1.00 0.00 C ATOM 53 NE ARG A 24 -10.618 5.519 -1.272 1.00 0.00 N ATOM 54 CZ ARG A 24 -10.787 4.413 -0.548 1.00 0.00 C ATOM 55 NH1 ARG A 24 -10.582 4.425 0.764 1.00 0.00 N ATOM 56 NH2 ARG A 24 -11.158 3.287 -1.141 1.00 0.00 N ATOM 0 H ARG A 24 -7.797 7.264 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.552 8.290 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.959 8.586 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.192 6.928 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.149 6.279 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.442 7.947 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.390 6.809 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.867 7.593 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.771 5.458 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.292 5.286 1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.714 3.573 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.313 3.269 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.288 2.439 -0.589 1.00 0.00 H new ATOM 70 N LEU A 25 -5.487 6.206 -1.747 1.00 0.00 N ATOM 71 CA LEU A 25 -4.790 5.001 -1.326 1.00 0.00 C ATOM 72 C LEU A 25 -5.484 4.409 -0.107 1.00 0.00 C ATOM 73 O LEU A 25 -5.985 5.142 0.745 1.00 0.00 O ATOM 74 CB LEU A 25 -3.336 5.328 -0.992 1.00 0.00 C ATOM 75 CG LEU A 25 -2.356 4.173 -1.156 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.928 4.640 -0.921 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.704 3.033 -0.217 1.00 0.00 C ATOM 0 H LEU A 25 -5.135 7.063 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.809 4.274 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.011 6.152 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.287 5.681 0.038 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.433 3.808 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.245 3.799 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.677 5.419 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.837 5.037 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.991 2.220 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.662 3.385 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.709 2.674 -0.437 1.00 0.00 H new ATOM 89 N SER A 26 -5.525 3.086 -0.025 1.00 0.00 N ATOM 90 CA SER A 26 -6.178 2.426 1.100 1.00 0.00 C ATOM 91 C SER A 26 -5.483 1.124 1.460 1.00 0.00 C ATOM 92 O SER A 26 -5.572 0.140 0.729 1.00 0.00 O ATOM 93 CB SER A 26 -7.648 2.156 0.772 1.00 0.00 C ATOM 94 OG SER A 26 -8.110 3.022 -0.250 1.00 0.00 O ATOM 0 H SER A 26 -5.119 2.454 -0.715 1.00 0.00 H new ATOM 0 HA SER A 26 -6.114 3.093 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.769 1.120 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.254 2.290 1.668 1.00 0.00 H new ATOM 0 HG SER A 26 -8.158 3.938 0.094 1.00 0.00 H new ATOM 100 N VAL A 27 -4.797 1.119 2.597 1.00 0.00 N ATOM 101 CA VAL A 27 -4.098 -0.073 3.045 1.00 0.00 C ATOM 102 C VAL A 27 -4.869 -0.784 4.146 1.00 0.00 C ATOM 103 O VAL A 27 -5.084 -0.241 5.229 1.00 0.00 O ATOM 104 CB VAL A 27 -2.673 0.242 3.533 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.683 0.961 4.873 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.855 -1.032 3.614 1.00 0.00 C ATOM 0 H VAL A 27 -4.712 1.922 3.220 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.025 -0.732 2.180 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.212 0.913 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.658 1.166 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.228 1.900 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.170 0.333 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.849 -0.797 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.327 -1.723 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.801 -1.493 2.628 1.00 0.00 H new ATOM 116 N PHE A 28 -5.288 -2.001 3.849 1.00 0.00 N ATOM 117 CA PHE A 28 -6.039 -2.802 4.791 1.00 0.00 C ATOM 118 C PHE A 28 -5.130 -3.737 5.575 1.00 0.00 C ATOM 119 O PHE A 28 -4.245 -4.382 5.012 1.00 0.00 O ATOM 120 CB PHE A 28 -7.106 -3.610 4.061 1.00 0.00 C ATOM 121 CG PHE A 28 -8.374 -3.711 4.842 1.00 0.00 C ATOM 122 CD1 PHE A 28 -9.117 -2.577 5.106 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.811 -4.930 5.329 1.00 0.00 C ATOM 124 CE1 PHE A 28 -10.279 -2.652 5.841 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.973 -5.014 6.069 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.710 -3.874 6.326 1.00 0.00 C ATOM 0 H PHE A 28 -5.117 -2.457 2.953 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.518 -2.123 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.312 -3.147 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.726 -4.611 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.783 -1.621 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.238 -5.823 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.853 -1.759 6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.306 -5.970 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.620 -3.937 6.904 1.00 0.00 H new ATOM 136 N ARG A 29 -5.369 -3.812 6.876 1.00 0.00 N ATOM 137 CA ARG A 29 -4.592 -4.674 7.751 1.00 0.00 C ATOM 138 C ARG A 29 -5.521 -5.471 8.654 1.00 0.00 C ATOM 139 O ARG A 29 -6.278 -4.901 9.440 1.00 0.00 O ATOM 140 CB ARG A 29 -3.622 -3.846 8.594 1.00 0.00 C ATOM 141 CG ARG A 29 -2.477 -3.250 7.792 1.00 0.00 C ATOM 142 CD ARG A 29 -1.601 -2.352 8.650 1.00 0.00 C ATOM 143 NE ARG A 29 -2.390 -1.422 9.457 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.846 -1.696 10.679 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.609 -2.877 11.237 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.547 -0.787 11.342 1.00 0.00 N ATOM 0 H ARG A 29 -6.100 -3.282 7.350 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.014 -5.365 7.137 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.172 -3.040 9.080 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.212 -4.475 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.872 -4.052 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.877 -2.677 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.984 -2.967 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.922 -1.789 8.009 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.605 -0.507 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.074 -3.582 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.961 -3.079 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.737 0.121 10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.897 -0.995 12.277 1.00 0.00 H new ATOM 160 N SER A 30 -5.468 -6.790 8.532 1.00 0.00 N ATOM 161 CA SER A 30 -6.319 -7.658 9.340 1.00 0.00 C ATOM 162 C SER A 30 -5.628 -8.023 10.650 1.00 0.00 C ATOM 163 O SER A 30 -6.021 -7.564 11.722 1.00 0.00 O ATOM 164 CB SER A 30 -6.674 -8.929 8.563 1.00 0.00 C ATOM 165 OG SER A 30 -6.437 -8.764 7.176 1.00 0.00 O ATOM 0 H SER A 30 -4.850 -7.282 7.887 1.00 0.00 H new ATOM 0 HA SER A 30 -7.236 -7.117 9.571 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.084 -9.765 8.939 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.722 -9.179 8.728 1.00 0.00 H new ATOM 0 HG SER A 30 -6.670 -9.590 6.704 1.00 0.00 H new ATOM 171 N LEU A 31 -4.591 -8.844 10.549 1.00 0.00 N ATOM 172 CA LEU A 31 -3.827 -9.272 11.714 1.00 0.00 C ATOM 173 C LEU A 31 -2.377 -9.512 11.319 1.00 0.00 C ATOM 174 O LEU A 31 -1.469 -8.826 11.787 1.00 0.00 O ATOM 175 CB LEU A 31 -4.428 -10.547 12.311 1.00 0.00 C ATOM 176 CG LEU A 31 -4.088 -10.795 13.782 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.193 -11.592 14.459 1.00 0.00 C ATOM 178 CD2 LEU A 31 -2.755 -11.518 13.905 1.00 0.00 C ATOM 0 H LEU A 31 -4.258 -9.229 9.665 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.868 -8.486 12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.512 -10.503 12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.086 -11.401 11.726 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.005 -9.831 14.284 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.933 -11.759 15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.129 -11.037 14.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.309 -12.552 13.957 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.528 -11.687 14.958 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.812 -12.476 13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.969 -10.910 13.457 1.00 0.00 H new ATOM 190 N LYS A 32 -2.175 -10.480 10.435 1.00 0.00 N ATOM 191 CA LYS A 32 -0.844 -10.809 9.944 1.00 0.00 C ATOM 192 C LYS A 32 -0.775 -10.607 8.432 1.00 0.00 C ATOM 193 O LYS A 32 0.095 -11.162 7.760 1.00 0.00 O ATOM 194 CB LYS A 32 -0.486 -12.254 10.297 1.00 0.00 C ATOM 195 CG LYS A 32 0.120 -12.409 11.682 1.00 0.00 C ATOM 196 CD LYS A 32 1.394 -13.237 11.646 1.00 0.00 C ATOM 197 CE LYS A 32 2.266 -12.970 12.863 1.00 0.00 C ATOM 198 NZ LYS A 32 2.861 -11.606 12.831 1.00 0.00 N ATOM 0 H LYS A 32 -2.921 -11.054 10.042 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.125 -10.145 10.423 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.384 -12.868 10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.217 -12.637 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.337 -11.425 12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.604 -12.882 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.140 -14.296 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.953 -13.007 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.670 -13.085 13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.063 -13.713 12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.687 -11.573 13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.157 -11.379 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.155 -10.912 13.149 1.00 0.00 H new ATOM 212 N HIS A 33 -1.705 -9.813 7.902 1.00 0.00 N ATOM 213 CA HIS A 33 -1.759 -9.541 6.472 1.00 0.00 C ATOM 214 C HIS A 33 -1.519 -8.062 6.183 1.00 0.00 C ATOM 215 O HIS A 33 -1.390 -7.250 7.100 1.00 0.00 O ATOM 216 CB HIS A 33 -3.116 -9.962 5.905 1.00 0.00 C ATOM 217 CG HIS A 33 -3.191 -11.411 5.536 1.00 0.00 C ATOM 218 ND1 HIS A 33 -2.533 -12.403 6.233 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.856 -12.036 4.535 1.00 0.00 C ATOM 220 CE1 HIS A 33 -2.789 -13.574 5.677 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.590 -13.378 4.646 1.00 0.00 N ATOM 0 H HIS A 33 -2.432 -9.347 8.446 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.970 -10.119 5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.891 -9.743 6.640 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.334 -9.360 5.023 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.479 -11.566 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.408 -14.528 6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.953 -14.106 4.031 1.00 0.00 H new ATOM 230 N ILE A 34 -1.458 -7.724 4.900 1.00 0.00 N ATOM 231 CA ILE A 34 -1.233 -6.362 4.470 1.00 0.00 C ATOM 232 C ILE A 34 -1.696 -6.189 3.022 1.00 0.00 C ATOM 233 O ILE A 34 -1.233 -6.902 2.133 1.00 0.00 O ATOM 234 CB ILE A 34 0.259 -6.007 4.573 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.473 -4.563 4.158 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.091 -6.950 3.714 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.040 -3.580 5.179 1.00 0.00 C ATOM 0 H ILE A 34 -1.564 -8.390 4.135 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.803 -5.696 5.118 1.00 0.00 H new ATOM 0 HB ILE A 34 0.583 -6.123 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.537 -4.390 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.027 -4.385 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.145 -6.685 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.947 -7.975 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.778 -6.866 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.140 -2.564 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.110 -3.730 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.478 -3.735 6.125 1.00 0.00 H new ATOM 249 N TYR A 35 -2.624 -5.262 2.786 1.00 0.00 N ATOM 250 CA TYR A 35 -3.145 -5.048 1.436 1.00 0.00 C ATOM 251 C TYR A 35 -3.299 -3.563 1.094 1.00 0.00 C ATOM 252 O TYR A 35 -4.178 -2.892 1.624 1.00 0.00 O ATOM 253 CB TYR A 35 -4.512 -5.731 1.295 1.00 0.00 C ATOM 254 CG TYR A 35 -4.450 -7.242 1.245 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.000 -7.978 2.334 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.839 -7.934 0.103 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.938 -9.357 2.288 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.782 -9.313 0.050 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.331 -10.020 1.144 1.00 0.00 C ATOM 260 OH TYR A 35 -4.272 -11.394 1.095 1.00 0.00 O ATOM 0 H TYR A 35 -3.026 -4.655 3.500 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.422 -5.479 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.143 -5.432 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.995 -5.368 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.693 -7.463 3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.192 -7.384 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.584 -9.913 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.089 -9.835 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.585 -11.704 0.220 1.00 0.00 H new ATOM 270 N ALA A 36 -2.479 -3.064 0.167 1.00 0.00 N ATOM 271 CA ALA A 36 -2.587 -1.675 -0.263 1.00 0.00 C ATOM 272 C ALA A 36 -3.403 -1.602 -1.539 1.00 0.00 C ATOM 273 O ALA A 36 -3.098 -2.268 -2.528 1.00 0.00 O ATOM 274 CB ALA A 36 -1.224 -1.026 -0.479 1.00 0.00 C ATOM 0 H ALA A 36 -1.742 -3.597 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.084 -1.121 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.360 0.007 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.659 -1.047 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.678 -1.574 -1.246 1.00 0.00 H new ATOM 280 N GLN A 37 -4.438 -0.790 -1.506 1.00 0.00 N ATOM 281 CA GLN A 37 -5.312 -0.618 -2.655 1.00 0.00 C ATOM 282 C GLN A 37 -5.276 0.821 -3.128 1.00 0.00 C ATOM 283 O GLN A 37 -5.729 1.731 -2.433 1.00 0.00 O ATOM 284 CB GLN A 37 -6.748 -1.023 -2.312 1.00 0.00 C ATOM 285 CG GLN A 37 -7.399 -1.901 -3.368 1.00 0.00 C ATOM 286 CD GLN A 37 -7.443 -3.361 -2.962 1.00 0.00 C ATOM 287 OE1 GLN A 37 -6.412 -3.967 -2.670 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.641 -3.935 -2.942 1.00 0.00 N ATOM 0 H GLN A 37 -4.699 -0.234 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.955 -1.265 -3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.750 -1.552 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.349 -0.123 -2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.413 -1.548 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.851 -1.804 -4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.470 -3.395 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.732 -4.916 -2.677 1.00 0.00 H new ATOM 297 N ILE A 38 -4.737 1.020 -4.316 1.00 0.00 N ATOM 298 CA ILE A 38 -4.642 2.347 -4.890 1.00 0.00 C ATOM 299 C ILE A 38 -5.797 2.567 -5.855 1.00 0.00 C ATOM 300 O ILE A 38 -5.792 2.061 -6.982 1.00 0.00 O ATOM 301 CB ILE A 38 -3.294 2.574 -5.606 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.206 1.623 -5.048 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.884 4.033 -5.466 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.236 2.252 -4.072 1.00 0.00 C ATOM 0 H ILE A 38 -4.358 0.277 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.698 3.070 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.408 2.345 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.698 0.784 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.640 1.214 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.932 4.193 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.646 4.670 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.780 4.282 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.516 1.504 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.709 3.072 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.783 2.634 -3.210 1.00 0.00 H new ATOM 316 N ILE A 39 -6.805 3.288 -5.375 1.00 0.00 N ATOM 317 CA ILE A 39 -8.012 3.552 -6.151 1.00 0.00 C ATOM 318 C ILE A 39 -8.042 4.958 -6.736 1.00 0.00 C ATOM 319 O ILE A 39 -7.364 5.865 -6.256 1.00 0.00 O ATOM 320 CB ILE A 39 -9.267 3.376 -5.271 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.181 2.081 -4.464 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.529 3.400 -6.118 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.725 2.298 -3.039 1.00 0.00 C ATOM 0 H ILE A 39 -6.809 3.703 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.005 2.834 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.313 4.212 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.159 1.599 -4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.492 1.397 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.401 3.274 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.598 4.354 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.494 2.589 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.685 1.340 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.734 2.752 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.427 2.958 -2.529 1.00 0.00 H new ATOM 335 N ASP A 40 -8.872 5.127 -7.760 1.00 0.00 N ATOM 336 CA ASP A 40 -9.054 6.413 -8.409 1.00 0.00 C ATOM 337 C ASP A 40 -10.218 7.138 -7.747 1.00 0.00 C ATOM 338 O ASP A 40 -11.359 6.651 -7.771 1.00 0.00 O ATOM 339 CB ASP A 40 -9.321 6.235 -9.906 1.00 0.00 C ATOM 340 CG ASP A 40 -8.290 6.941 -10.765 1.00 0.00 C ATOM 341 OD1 ASP A 40 -7.175 6.399 -10.920 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.596 8.035 -11.282 1.00 0.00 O ATOM 0 H ASP A 40 -9.435 4.376 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.143 7.002 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.325 5.172 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.313 6.620 -10.144 1.00 0.00 H new ATOM 347 N ASP A 41 -9.902 8.282 -7.138 1.00 0.00 N ATOM 348 CA ASP A 41 -10.879 9.102 -6.421 1.00 0.00 C ATOM 349 C ASP A 41 -11.481 10.189 -7.308 1.00 0.00 C ATOM 350 O ASP A 41 -11.939 11.222 -6.820 1.00 0.00 O ATOM 351 CB ASP A 41 -10.230 9.739 -5.191 1.00 0.00 C ATOM 352 CG ASP A 41 -11.189 9.841 -4.020 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.718 8.794 -3.594 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.410 10.969 -3.531 1.00 0.00 O ATOM 0 H ASP A 41 -8.958 8.667 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.689 8.442 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.361 9.150 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.868 10.734 -5.449 1.00 0.00 H new ATOM 359 N GLU A 42 -11.529 9.918 -8.600 1.00 0.00 N ATOM 360 CA GLU A 42 -12.134 10.831 -9.568 1.00 0.00 C ATOM 361 C GLU A 42 -13.402 10.149 -10.021 1.00 0.00 C ATOM 362 O GLU A 42 -14.501 10.704 -9.990 1.00 0.00 O ATOM 363 CB GLU A 42 -11.194 11.084 -10.750 1.00 0.00 C ATOM 364 CG GLU A 42 -11.847 11.833 -11.901 1.00 0.00 C ATOM 365 CD GLU A 42 -10.834 12.416 -12.867 1.00 0.00 C ATOM 366 OE1 GLU A 42 -9.960 11.658 -13.339 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.915 13.629 -13.151 1.00 0.00 O ATOM 0 H GLU A 42 -11.153 9.064 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.335 11.808 -9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.331 11.652 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.820 10.128 -11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.510 11.156 -12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.467 12.636 -11.502 1.00 0.00 H new ATOM 374 N LYS A 43 -13.209 8.884 -10.336 1.00 0.00 N ATOM 375 CA LYS A 43 -14.261 7.976 -10.693 1.00 0.00 C ATOM 376 C LYS A 43 -13.933 6.700 -9.946 1.00 0.00 C ATOM 377 O LYS A 43 -12.862 6.132 -10.151 1.00 0.00 O ATOM 378 CB LYS A 43 -14.291 7.730 -12.204 1.00 0.00 C ATOM 379 CG LYS A 43 -15.160 8.718 -12.966 1.00 0.00 C ATOM 380 CD LYS A 43 -14.377 9.418 -14.065 1.00 0.00 C ATOM 381 CE LYS A 43 -15.300 10.001 -15.123 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.853 11.321 -14.710 1.00 0.00 N ATOM 0 H LYS A 43 -12.284 8.454 -10.349 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.245 8.368 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.274 7.780 -12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.654 6.720 -12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.011 8.195 -13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.561 9.459 -12.275 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.771 10.213 -13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.690 8.711 -14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.754 10.113 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.119 9.307 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.477 11.685 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.396 11.210 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.073 11.991 -14.554 1.00 0.00 H new ATOM 396 N GLY A 44 -14.812 6.275 -9.050 1.00 0.00 N ATOM 397 CA GLY A 44 -14.536 5.087 -8.259 1.00 0.00 C ATOM 398 C GLY A 44 -13.925 3.973 -9.080 1.00 0.00 C ATOM 399 O GLY A 44 -14.643 3.167 -9.674 1.00 0.00 O ATOM 0 H GLY A 44 -15.706 6.726 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.860 5.346 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.462 4.734 -7.805 1.00 0.00 H new ATOM 403 N VAL A 45 -12.594 3.944 -9.148 1.00 0.00 N ATOM 404 CA VAL A 45 -11.916 2.927 -9.950 1.00 0.00 C ATOM 405 C VAL A 45 -10.666 2.368 -9.274 1.00 0.00 C ATOM 406 O VAL A 45 -9.663 3.060 -9.148 1.00 0.00 O ATOM 407 CB VAL A 45 -11.509 3.517 -11.317 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.683 2.520 -12.121 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.739 3.948 -12.103 1.00 0.00 C ATOM 0 H VAL A 45 -11.975 4.598 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.626 2.109 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.891 4.396 -11.132 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.410 2.962 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.779 2.267 -11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.268 1.617 -12.292 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.431 4.361 -13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.385 3.086 -12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.283 4.706 -11.540 1.00 0.00 H new ATOM 419 N THR A 46 -10.712 1.095 -8.888 1.00 0.00 N ATOM 420 CA THR A 46 -9.553 0.451 -8.277 1.00 0.00 C ATOM 421 C THR A 46 -8.553 0.090 -9.368 1.00 0.00 C ATOM 422 O THR A 46 -8.885 -0.632 -10.308 1.00 0.00 O ATOM 423 CB THR A 46 -9.968 -0.803 -7.500 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.264 -0.644 -6.950 1.00 0.00 O ATOM 425 CG2 THR A 46 -9.024 -1.146 -6.363 1.00 0.00 C ATOM 0 H THR A 46 -11.531 0.495 -8.986 1.00 0.00 H new ATOM 0 HA THR A 46 -9.093 1.142 -7.571 1.00 0.00 H new ATOM 0 HB THR A 46 -9.943 -1.615 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.513 -1.455 -6.459 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.377 -2.044 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.025 -1.323 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.991 -0.318 -5.655 1.00 0.00 H new ATOM 433 N LEU A 47 -7.339 0.619 -9.264 1.00 0.00 N ATOM 434 CA LEU A 47 -6.319 0.368 -10.274 1.00 0.00 C ATOM 435 C LEU A 47 -5.279 -0.643 -9.813 1.00 0.00 C ATOM 436 O LEU A 47 -5.094 -1.681 -10.448 1.00 0.00 O ATOM 437 CB LEU A 47 -5.631 1.674 -10.665 1.00 0.00 C ATOM 438 CG LEU A 47 -6.565 2.865 -10.833 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.791 3.573 -9.506 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.011 3.828 -11.869 1.00 0.00 C ATOM 0 H LEU A 47 -7.039 1.220 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.827 -0.057 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.888 1.918 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.092 1.518 -11.600 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.529 2.496 -11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.462 4.419 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.236 2.878 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.837 3.930 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.689 4.674 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.033 4.186 -11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.913 3.316 -12.826 1.00 0.00 H new ATOM 452 N VAL A 48 -4.581 -0.333 -8.727 1.00 0.00 N ATOM 453 CA VAL A 48 -3.544 -1.223 -8.227 1.00 0.00 C ATOM 454 C VAL A 48 -3.884 -1.777 -6.845 1.00 0.00 C ATOM 455 O VAL A 48 -4.403 -1.067 -5.984 1.00 0.00 O ATOM 456 CB VAL A 48 -2.178 -0.500 -8.192 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.302 -1.016 -7.062 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.473 -0.646 -9.531 1.00 0.00 C ATOM 0 H VAL A 48 -4.713 0.519 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.483 -2.067 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.361 0.558 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.350 -0.485 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.803 -0.851 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.123 -2.083 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.512 -0.133 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.312 -1.703 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.089 -0.207 -10.316 1.00 0.00 H new ATOM 468 N SER A 49 -3.572 -3.054 -6.649 1.00 0.00 N ATOM 469 CA SER A 49 -3.823 -3.727 -5.382 1.00 0.00 C ATOM 470 C SER A 49 -2.791 -4.829 -5.155 1.00 0.00 C ATOM 471 O SER A 49 -2.738 -5.806 -5.901 1.00 0.00 O ATOM 472 CB SER A 49 -5.234 -4.314 -5.362 1.00 0.00 C ATOM 473 OG SER A 49 -5.440 -5.188 -6.457 1.00 0.00 O ATOM 0 H SER A 49 -3.141 -3.647 -7.359 1.00 0.00 H new ATOM 0 HA SER A 49 -3.738 -2.996 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.393 -4.853 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.967 -3.508 -5.394 1.00 0.00 H new ATOM 0 HG SER A 49 -4.635 -5.729 -6.600 1.00 0.00 H new ATOM 479 N ALA A 50 -1.967 -4.660 -4.126 1.00 0.00 N ATOM 480 CA ALA A 50 -0.931 -5.639 -3.809 1.00 0.00 C ATOM 481 C ALA A 50 -0.914 -5.962 -2.322 1.00 0.00 C ATOM 482 O ALA A 50 -1.280 -5.131 -1.491 1.00 0.00 O ATOM 483 CB ALA A 50 0.432 -5.128 -4.247 1.00 0.00 C ATOM 0 H ALA A 50 -1.995 -3.857 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.160 -6.555 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.194 -5.869 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.426 -4.953 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.655 -4.195 -3.729 1.00 0.00 H new ATOM 489 N SER A 51 -0.488 -7.176 -1.993 1.00 0.00 N ATOM 490 CA SER A 51 -0.427 -7.607 -0.605 1.00 0.00 C ATOM 491 C SER A 51 0.681 -8.629 -0.388 1.00 0.00 C ATOM 492 O SER A 51 0.885 -9.521 -1.211 1.00 0.00 O ATOM 493 CB SER A 51 -1.770 -8.201 -0.188 1.00 0.00 C ATOM 494 OG SER A 51 -2.170 -9.231 -1.076 1.00 0.00 O ATOM 0 H SER A 51 -0.181 -7.876 -2.668 1.00 0.00 H new ATOM 0 HA SER A 51 -0.205 -6.735 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.697 -8.598 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.528 -7.418 -0.170 1.00 0.00 H new ATOM 0 HG SER A 51 -2.945 -9.702 -0.703 1.00 0.00 H new ATOM 500 N SER A 52 1.387 -8.501 0.733 1.00 0.00 N ATOM 501 CA SER A 52 2.469 -9.425 1.068 1.00 0.00 C ATOM 502 C SER A 52 2.027 -10.875 0.870 1.00 0.00 C ATOM 503 O SER A 52 2.841 -11.747 0.566 1.00 0.00 O ATOM 504 CB SER A 52 2.919 -9.212 2.515 1.00 0.00 C ATOM 505 OG SER A 52 3.453 -7.912 2.697 1.00 0.00 O ATOM 0 H SER A 52 1.230 -7.768 1.424 1.00 0.00 H new ATOM 0 HA SER A 52 3.306 -9.223 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.074 -9.359 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.669 -9.957 2.779 1.00 0.00 H new ATOM 0 HG SER A 52 4.010 -7.897 3.503 1.00 0.00 H new ATOM 679 N GLU A 63 9.114 -6.672 7.034 1.00 0.00 N ATOM 680 CA GLU A 63 10.411 -6.593 6.372 1.00 0.00 C ATOM 681 C GLU A 63 10.252 -6.254 4.893 1.00 0.00 C ATOM 682 O GLU A 63 10.963 -5.400 4.364 1.00 0.00 O ATOM 683 CB GLU A 63 11.165 -7.915 6.525 1.00 0.00 C ATOM 684 CG GLU A 63 12.673 -7.749 6.620 1.00 0.00 C ATOM 685 CD GLU A 63 13.087 -6.804 7.731 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.467 -6.853 8.814 1.00 0.00 O ATOM 687 OE2 GLU A 63 14.032 -6.015 7.518 1.00 0.00 O ATOM 0 HA GLU A 63 10.984 -5.797 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.807 -8.426 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.931 -8.557 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.132 -8.723 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.054 -7.376 5.670 1.00 0.00 H new ATOM 694 N VAL A 64 9.318 -6.929 4.229 1.00 0.00 N ATOM 695 CA VAL A 64 9.077 -6.694 2.811 1.00 0.00 C ATOM 696 C VAL A 64 7.961 -5.681 2.588 1.00 0.00 C ATOM 697 O VAL A 64 7.865 -5.104 1.510 1.00 0.00 O ATOM 698 CB VAL A 64 8.720 -7.997 2.065 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.375 -7.709 0.605 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.865 -8.994 2.162 1.00 0.00 C ATOM 0 H VAL A 64 8.719 -7.640 4.649 1.00 0.00 H new ATOM 0 HA VAL A 64 10.009 -6.296 2.410 1.00 0.00 H new ATOM 0 HB VAL A 64 7.841 -8.435 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.127 -8.642 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.521 -7.033 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.231 -7.246 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.598 -9.908 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.761 -8.563 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.058 -9.226 3.209 1.00 0.00 H new ATOM 710 N ALA A 65 7.113 -5.472 3.596 1.00 0.00 N ATOM 711 CA ALA A 65 6.000 -4.528 3.474 1.00 0.00 C ATOM 712 C ALA A 65 6.386 -3.322 2.626 1.00 0.00 C ATOM 713 O ALA A 65 5.598 -2.840 1.819 1.00 0.00 O ATOM 714 CB ALA A 65 5.522 -4.077 4.838 1.00 0.00 C ATOM 0 H ALA A 65 7.174 -5.940 4.500 1.00 0.00 H new ATOM 0 HA ALA A 65 5.184 -5.048 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.695 -3.377 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.186 -4.942 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.340 -3.587 5.367 1.00 0.00 H new ATOM 720 N ARG A 66 7.615 -2.859 2.788 1.00 0.00 N ATOM 721 CA ARG A 66 8.102 -1.737 2.003 1.00 0.00 C ATOM 722 C ARG A 66 8.223 -2.161 0.563 1.00 0.00 C ATOM 723 O ARG A 66 7.578 -1.607 -0.321 1.00 0.00 O ATOM 724 CB ARG A 66 9.452 -1.269 2.512 1.00 0.00 C ATOM 725 CG ARG A 66 9.578 0.235 2.529 1.00 0.00 C ATOM 726 CD ARG A 66 10.821 0.686 1.806 1.00 0.00 C ATOM 727 NE ARG A 66 12.026 0.063 2.353 1.00 0.00 N ATOM 728 CZ ARG A 66 13.070 -0.325 1.621 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.076 -0.152 0.305 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.116 -0.888 2.211 1.00 0.00 N ATOM 0 H ARG A 66 8.290 -3.240 3.452 1.00 0.00 H new ATOM 0 HA ARG A 66 7.397 -0.910 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.609 -1.654 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.238 -1.688 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.700 0.681 2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.605 0.589 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.734 0.441 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.909 1.770 1.876 1.00 0.00 H new ATOM 0 HE ARG A 66 12.070 -0.084 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.276 0.282 -0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.880 -0.453 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.120 -1.023 3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.917 -1.186 1.654 1.00 0.00 H new ATOM 744 N GLN A 67 9.032 -3.178 0.343 1.00 0.00 N ATOM 745 CA GLN A 67 9.216 -3.723 -0.988 1.00 0.00 C ATOM 746 C GLN A 67 7.854 -4.012 -1.614 1.00 0.00 C ATOM 747 O GLN A 67 7.710 -4.019 -2.837 1.00 0.00 O ATOM 748 CB GLN A 67 10.058 -4.998 -0.935 1.00 0.00 C ATOM 749 CG GLN A 67 11.551 -4.745 -1.068 1.00 0.00 C ATOM 750 CD GLN A 67 12.372 -5.581 -0.104 1.00 0.00 C ATOM 751 OE1 GLN A 67 13.285 -6.299 -0.511 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.049 -5.491 1.181 1.00 0.00 N ATOM 0 H GLN A 67 9.574 -3.645 1.070 1.00 0.00 H new ATOM 0 HA GLN A 67 9.745 -2.992 -1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.867 -5.511 0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.739 -5.668 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.863 -4.963 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.754 -3.689 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.284 -4.883 1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.566 -6.030 1.876 1.00 0.00 H new ATOM 761 N VAL A 68 6.838 -4.219 -0.768 1.00 0.00 N ATOM 762 CA VAL A 68 5.500 -4.467 -1.279 1.00 0.00 C ATOM 763 C VAL A 68 4.880 -3.150 -1.725 1.00 0.00 C ATOM 764 O VAL A 68 4.129 -3.100 -2.699 1.00 0.00 O ATOM 765 CB VAL A 68 4.572 -5.200 -0.269 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.792 -4.247 0.636 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.606 -6.088 -1.032 1.00 0.00 C ATOM 0 H VAL A 68 6.920 -4.219 0.249 1.00 0.00 H new ATOM 0 HA VAL A 68 5.600 -5.144 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 68 5.213 -5.794 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.164 -4.823 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.490 -3.640 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.165 -3.597 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.953 -6.604 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.004 -5.477 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.166 -6.821 -1.612 1.00 0.00 H new ATOM 777 N GLY A 69 5.235 -2.078 -1.019 1.00 0.00 N ATOM 778 CA GLY A 69 4.741 -0.766 -1.366 1.00 0.00 C ATOM 779 C GLY A 69 5.495 -0.208 -2.538 1.00 0.00 C ATOM 780 O GLY A 69 4.941 0.524 -3.339 1.00 0.00 O ATOM 0 H GLY A 69 5.858 -2.101 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.679 -0.823 -1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.840 -0.097 -0.511 1.00 0.00 H new ATOM 784 N ARG A 70 6.774 -0.562 -2.637 1.00 0.00 N ATOM 785 CA ARG A 70 7.595 -0.097 -3.739 1.00 0.00 C ATOM 786 C ARG A 70 7.069 -0.721 -5.018 1.00 0.00 C ATOM 787 O ARG A 70 7.026 -0.080 -6.066 1.00 0.00 O ATOM 788 CB ARG A 70 9.073 -0.446 -3.509 1.00 0.00 C ATOM 789 CG ARG A 70 9.473 -1.832 -3.990 1.00 0.00 C ATOM 790 CD ARG A 70 9.903 -1.809 -5.448 1.00 0.00 C ATOM 791 NE ARG A 70 9.621 -3.074 -6.124 1.00 0.00 N ATOM 792 CZ ARG A 70 10.450 -4.116 -6.129 1.00 0.00 C ATOM 793 NH1 ARG A 70 11.612 -4.056 -5.488 1.00 0.00 N ATOM 794 NH2 ARG A 70 10.114 -5.225 -6.774 1.00 0.00 N ATOM 0 H ARG A 70 7.256 -1.165 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 70 7.539 0.989 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.692 0.294 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.291 -0.367 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.288 -2.211 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.635 -2.518 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.388 -0.999 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.970 -1.597 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 70 8.735 -3.164 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.875 -3.207 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.241 -4.859 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.222 -5.279 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.748 -6.024 -6.779 1.00 0.00 H new ATOM 808 N ALA A 71 6.629 -1.973 -4.904 1.00 0.00 N ATOM 809 CA ALA A 71 6.057 -2.682 -6.032 1.00 0.00 C ATOM 810 C ALA A 71 4.747 -2.022 -6.432 1.00 0.00 C ATOM 811 O ALA A 71 4.508 -1.761 -7.606 1.00 0.00 O ATOM 812 CB ALA A 71 5.831 -4.145 -5.688 1.00 0.00 C ATOM 0 H ALA A 71 6.661 -2.512 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 71 6.753 -2.637 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.401 -4.659 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.782 -4.608 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.147 -4.219 -4.842 1.00 0.00 H new ATOM 818 N LEU A 72 3.915 -1.719 -5.433 1.00 0.00 N ATOM 819 CA LEU A 72 2.641 -1.054 -5.671 1.00 0.00 C ATOM 820 C LEU A 72 2.907 0.307 -6.268 1.00 0.00 C ATOM 821 O LEU A 72 2.346 0.685 -7.295 1.00 0.00 O ATOM 822 CB LEU A 72 1.869 -0.890 -4.360 1.00 0.00 C ATOM 823 CG LEU A 72 1.043 -2.102 -3.942 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.160 -2.341 -2.445 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.414 -1.918 -4.342 1.00 0.00 C ATOM 0 H LEU A 72 4.105 -1.926 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 72 2.044 -1.658 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.578 -0.661 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.205 -0.031 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 72 1.434 -2.978 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.563 -3.210 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.204 -2.519 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.797 -1.465 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.989 -2.792 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.816 -1.030 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.482 -1.799 -5.423 1.00 0.00 H new ATOM 837 N ALA A 73 3.796 1.026 -5.606 1.00 0.00 N ATOM 838 CA ALA A 73 4.194 2.350 -6.041 1.00 0.00 C ATOM 839 C ALA A 73 4.789 2.293 -7.432 1.00 0.00 C ATOM 840 O ALA A 73 4.725 3.262 -8.183 1.00 0.00 O ATOM 841 CB ALA A 73 5.173 2.959 -5.051 1.00 0.00 C ATOM 0 H ALA A 73 4.260 0.709 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 73 3.311 2.988 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.463 3.953 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.701 3.034 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.058 2.327 -4.980 1.00 0.00 H new ATOM 847 N GLU A 74 5.334 1.139 -7.778 1.00 0.00 N ATOM 848 CA GLU A 74 5.904 0.928 -9.085 1.00 0.00 C ATOM 849 C GLU A 74 4.781 0.835 -10.109 1.00 0.00 C ATOM 850 O GLU A 74 4.909 1.285 -11.248 1.00 0.00 O ATOM 851 CB GLU A 74 6.705 -0.360 -9.064 1.00 0.00 C ATOM 852 CG GLU A 74 7.653 -0.499 -10.232 1.00 0.00 C ATOM 853 CD GLU A 74 7.967 -1.944 -10.565 1.00 0.00 C ATOM 854 OE1 GLU A 74 7.138 -2.821 -10.242 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.041 -2.199 -11.149 1.00 0.00 O ATOM 0 H GLU A 74 5.391 0.330 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 74 6.560 1.756 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.275 -0.409 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.018 -1.206 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.218 -0.016 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.581 0.027 -10.006 1.00 0.00 H new ATOM 862 N LYS A 75 3.670 0.255 -9.667 1.00 0.00 N ATOM 863 CA LYS A 75 2.483 0.094 -10.495 1.00 0.00 C ATOM 864 C LYS A 75 1.745 1.408 -10.595 1.00 0.00 C ATOM 865 O LYS A 75 1.633 1.998 -11.669 1.00 0.00 O ATOM 866 CB LYS A 75 1.566 -0.945 -9.877 1.00 0.00 C ATOM 867 CG LYS A 75 2.309 -2.161 -9.392 1.00 0.00 C ATOM 868 CD LYS A 75 1.381 -3.134 -8.694 1.00 0.00 C ATOM 869 CE LYS A 75 1.997 -4.520 -8.592 1.00 0.00 C ATOM 870 NZ LYS A 75 2.510 -4.800 -7.223 1.00 0.00 N ATOM 0 H LYS A 75 3.568 -0.117 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 75 2.787 -0.230 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.027 -0.497 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.821 -1.249 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.790 -2.656 -10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.101 -1.856 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.149 -2.764 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.439 -3.193 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.252 -5.269 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.812 -4.609 -9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.480 -5.170 -7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.509 -3.922 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.900 -5.504 -6.761 1.00 0.00 H new ATOM 884 N ALA A 76 1.256 1.864 -9.448 1.00 0.00 N ATOM 885 CA ALA A 76 0.535 3.133 -9.371 1.00 0.00 C ATOM 886 C ALA A 76 1.270 4.188 -10.181 1.00 0.00 C ATOM 887 O ALA A 76 0.672 4.964 -10.924 1.00 0.00 O ATOM 888 CB ALA A 76 0.401 3.596 -7.927 1.00 0.00 C ATOM 0 H ALA A 76 1.345 1.375 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.465 2.987 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.139 4.542 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.146 2.847 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.392 3.730 -7.494 1.00 0.00 H new ATOM 894 N LEU A 77 2.586 4.182 -10.036 1.00 0.00 N ATOM 895 CA LEU A 77 3.442 5.107 -10.752 1.00 0.00 C ATOM 896 C LEU A 77 3.276 4.964 -12.258 1.00 0.00 C ATOM 897 O LEU A 77 3.260 5.953 -12.990 1.00 0.00 O ATOM 898 CB LEU A 77 4.897 4.860 -10.377 1.00 0.00 C ATOM 899 CG LEU A 77 5.438 5.700 -9.227 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.883 5.322 -8.941 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.323 7.184 -9.549 1.00 0.00 C ATOM 0 H LEU A 77 3.086 3.539 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 77 3.152 6.119 -10.470 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.012 3.807 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.515 5.042 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 77 4.843 5.500 -8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.261 5.928 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.937 4.267 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.488 5.500 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.714 7.768 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.896 7.406 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.276 7.441 -9.712 1.00 0.00 H new ATOM 913 N ALA A 78 3.163 3.724 -12.714 1.00 0.00 N ATOM 914 CA ALA A 78 3.004 3.437 -14.132 1.00 0.00 C ATOM 915 C ALA A 78 1.865 4.254 -14.737 1.00 0.00 C ATOM 916 O ALA A 78 1.864 4.547 -15.933 1.00 0.00 O ATOM 917 CB ALA A 78 2.778 1.952 -14.327 1.00 0.00 C ATOM 0 H ALA A 78 3.179 2.897 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 78 3.917 3.725 -14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.659 1.738 -15.389 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.634 1.400 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.878 1.648 -13.793 1.00 0.00 H new ATOM 923 N LEU A 79 0.915 4.648 -13.894 1.00 0.00 N ATOM 924 CA LEU A 79 -0.208 5.464 -14.329 1.00 0.00 C ATOM 925 C LEU A 79 0.165 6.934 -14.199 1.00 0.00 C ATOM 926 O LEU A 79 -0.372 7.798 -14.893 1.00 0.00 O ATOM 927 CB LEU A 79 -1.453 5.194 -13.471 1.00 0.00 C ATOM 928 CG LEU A 79 -1.498 3.860 -12.718 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.058 4.071 -11.319 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.338 2.846 -13.481 1.00 0.00 C ATOM 0 H LEU A 79 0.903 4.413 -12.902 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.435 5.212 -15.365 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.544 5.999 -12.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.329 5.249 -14.117 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.484 3.470 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.086 3.118 -10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.422 4.769 -10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.067 4.478 -11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.359 1.905 -12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.354 3.225 -13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.903 2.681 -14.467 1.00 0.00 H new ATOM 942 N GLY A 80 1.082 7.196 -13.276 1.00 0.00 N ATOM 943 CA GLY A 80 1.531 8.542 -13.008 1.00 0.00 C ATOM 944 C GLY A 80 1.050 9.020 -11.656 1.00 0.00 C ATOM 945 O GLY A 80 1.110 10.210 -11.347 1.00 0.00 O ATOM 0 H GLY A 80 1.528 6.482 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.620 8.579 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.164 9.212 -13.785 1.00 0.00 H new ATOM 949 N ILE A 81 0.572 8.076 -10.847 1.00 0.00 N ATOM 950 CA ILE A 81 0.076 8.381 -9.518 1.00 0.00 C ATOM 951 C ILE A 81 1.237 8.738 -8.597 1.00 0.00 C ATOM 952 O ILE A 81 1.970 7.864 -8.133 1.00 0.00 O ATOM 953 CB ILE A 81 -0.729 7.185 -8.947 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.113 7.088 -9.613 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.885 7.293 -7.433 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.246 7.845 -10.921 1.00 0.00 C ATOM 0 H ILE A 81 0.520 7.088 -11.097 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.594 9.238 -9.583 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.167 6.278 -9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.341 6.037 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.863 7.462 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.454 6.440 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.100 7.302 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.412 8.214 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.255 7.718 -11.314 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.055 8.904 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.524 7.458 -11.640 1.00 0.00 H new ATOM 968 N LYS A 82 1.403 10.031 -8.348 1.00 0.00 N ATOM 969 CA LYS A 82 2.469 10.519 -7.503 1.00 0.00 C ATOM 970 C LYS A 82 1.937 10.915 -6.135 1.00 0.00 C ATOM 971 O LYS A 82 2.659 10.867 -5.146 1.00 0.00 O ATOM 972 CB LYS A 82 3.146 11.711 -8.172 1.00 0.00 C ATOM 973 CG LYS A 82 2.312 12.984 -8.176 1.00 0.00 C ATOM 974 CD LYS A 82 1.673 13.232 -9.535 1.00 0.00 C ATOM 975 CE LYS A 82 1.807 14.686 -9.960 1.00 0.00 C ATOM 976 NZ LYS A 82 2.822 14.860 -11.036 1.00 0.00 N ATOM 0 H LYS A 82 0.802 10.763 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 82 3.198 9.721 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.089 11.910 -7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.388 11.446 -9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.534 12.912 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.942 13.833 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.142 12.590 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.618 12.959 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.842 15.052 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.085 15.292 -9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.883 15.865 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.749 14.534 -10.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.544 14.302 -11.869 1.00 0.00 H new ATOM 990 N GLN A 83 0.669 11.309 -6.095 1.00 0.00 N ATOM 991 CA GLN A 83 0.026 11.716 -4.854 1.00 0.00 C ATOM 992 C GLN A 83 -1.251 10.920 -4.644 1.00 0.00 C ATOM 993 O GLN A 83 -1.987 10.656 -5.595 1.00 0.00 O ATOM 994 CB GLN A 83 -0.286 13.214 -4.882 1.00 0.00 C ATOM 995 CG GLN A 83 0.234 13.964 -3.668 1.00 0.00 C ATOM 996 CD GLN A 83 -0.871 14.370 -2.713 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.804 15.079 -3.090 1.00 0.00 O ATOM 998 NE2 GLN A 83 -0.770 13.922 -1.467 1.00 0.00 N ATOM 0 H GLN A 83 0.064 11.355 -6.915 1.00 0.00 H new ATOM 0 HA GLN A 83 0.707 11.518 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.147 13.651 -5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.365 13.351 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.953 13.338 -3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.769 14.855 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.021 13.337 -1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.483 14.163 -0.779 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.514 10.528 -3.404 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.710 9.751 -3.110 1.00 0.00 C ATOM 1009 C VAL A 84 -3.435 10.252 -1.869 1.00 0.00 C ATOM 1010 O VAL A 84 -2.884 10.997 -1.059 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.406 8.247 -2.920 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.423 7.405 -3.663 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.004 7.892 -3.381 1.00 0.00 C ATOM 0 H VAL A 84 -0.925 10.732 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.351 9.881 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.471 8.034 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.195 6.349 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.421 7.617 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.385 7.643 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.830 6.826 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.897 8.131 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.276 8.463 -2.805 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.678 9.808 -1.734 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.519 10.163 -0.602 1.00 0.00 C ATOM 1025 C ALA A 85 -5.653 8.971 0.336 1.00 0.00 C ATOM 1026 O ALA A 85 -6.378 8.022 0.043 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.892 10.610 -1.087 1.00 0.00 C ATOM 0 H ALA A 85 -5.131 9.191 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.056 10.988 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.513 10.873 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.783 11.478 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.364 9.799 -1.641 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.942 9.009 1.454 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.989 7.911 2.408 1.00 0.00 C ATOM 1035 C PHE A 86 -6.210 8.010 3.314 1.00 0.00 C ATOM 1036 O PHE A 86 -6.265 8.845 4.217 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.712 7.870 3.246 1.00 0.00 C ATOM 1038 CG PHE A 86 -3.150 6.486 3.388 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.519 5.869 2.320 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.258 5.800 4.586 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -2.008 4.592 2.446 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.747 4.523 4.717 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.122 3.919 3.646 1.00 0.00 C ATOM 0 H PHE A 86 -4.331 9.781 1.721 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.067 6.985 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.962 8.516 2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.920 8.275 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.426 6.392 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.747 6.268 5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.520 4.120 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.837 3.998 5.657 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.722 2.921 3.746 1.00 0.00 H new ATOM 1053 N ASP A 87 -7.183 7.141 3.066 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.407 7.109 3.855 1.00 0.00 C ATOM 1055 C ASP A 87 -8.648 5.704 4.398 1.00 0.00 C ATOM 1056 O ASP A 87 -9.767 5.192 4.362 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.598 7.562 3.007 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.894 9.039 3.172 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.741 9.553 4.301 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.280 9.683 2.174 1.00 0.00 O ATOM 0 H ASP A 87 -7.147 6.446 2.320 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.298 7.794 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.395 7.350 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.479 6.984 3.285 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.579 5.087 4.897 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.645 3.736 5.452 1.00 0.00 C ATOM 1067 C ARG A 88 -8.876 3.554 6.337 1.00 0.00 C ATOM 1068 O ARG A 88 -9.613 2.577 6.201 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.386 3.446 6.268 1.00 0.00 C ATOM 1070 CG ARG A 88 -6.136 4.468 7.366 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.660 4.571 7.713 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.417 5.514 8.804 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.540 6.835 8.685 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -4.907 7.374 7.528 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -4.295 7.620 9.725 1.00 0.00 N ATOM 0 H ARG A 88 -6.649 5.505 4.928 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.716 3.037 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.470 2.455 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.525 3.422 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.503 5.443 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.701 4.191 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.284 3.587 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.102 4.885 6.831 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.137 5.138 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.097 6.776 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.999 8.386 7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.012 7.212 10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.389 8.632 9.634 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.086 4.499 7.248 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.221 4.426 8.149 1.00 0.00 C ATOM 1091 C GLY A 89 -9.807 4.565 9.605 1.00 0.00 C ATOM 1092 O GLY A 89 -9.130 5.527 9.966 1.00 0.00 O ATOM 0 H GLY A 89 -8.489 5.316 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.933 5.213 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.734 3.475 8.008 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.196 3.614 10.472 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.853 3.647 11.889 1.00 0.00 C ATOM 1098 C PRO A 90 -8.536 2.934 12.178 1.00 0.00 C ATOM 1099 O PRO A 90 -8.451 2.111 13.090 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.020 2.896 12.519 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.410 1.877 11.498 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.005 2.425 10.146 1.00 0.00 C ATOM 0 HA PRO A 90 -9.711 4.659 12.269 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.727 2.425 13.457 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.848 3.568 12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.913 0.927 11.693 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.483 1.689 11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.431 1.695 9.575 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.875 2.687 9.544 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.513 3.249 11.390 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.202 2.632 11.555 1.00 0.00 C ATOM 1112 C TYR A 91 -5.247 3.547 12.314 1.00 0.00 C ATOM 1113 O TYR A 91 -5.302 4.769 12.183 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.605 2.284 10.189 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.104 0.977 9.614 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.367 0.488 9.931 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.309 0.230 8.753 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.821 -0.708 9.408 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.757 -0.965 8.224 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.013 -1.429 8.555 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.461 -2.620 8.033 1.00 0.00 O ATOM 0 H TYR A 91 -7.567 3.928 10.631 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.336 1.720 12.137 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.833 3.088 9.489 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.520 2.238 10.279 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.003 1.052 10.597 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.324 0.590 8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.803 -1.076 9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.127 -1.533 7.555 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.894 -2.456 7.169 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.363 2.938 13.096 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.378 3.681 13.871 1.00 0.00 C ATOM 1133 C LYS A 92 -1.972 3.222 13.502 1.00 0.00 C ATOM 1134 O LYS A 92 -1.783 2.096 13.041 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.619 3.487 15.369 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.052 4.606 16.228 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.602 5.963 15.815 1.00 0.00 C ATOM 1138 CE LYS A 92 -2.549 6.799 15.105 1.00 0.00 C ATOM 1139 NZ LYS A 92 -2.646 8.240 15.469 1.00 0.00 N ATOM 0 H LYS A 92 -4.309 1.926 13.210 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.478 4.741 13.639 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.691 3.410 15.549 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.175 2.541 15.680 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.292 4.419 17.275 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.965 4.613 16.146 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.461 5.824 15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.958 6.496 16.697 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.557 6.426 15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.664 6.688 14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.911 8.776 14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.584 8.603 15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.511 8.349 16.494 1.00 0.00 H new ATOM 1153 N TYR A 93 -0.987 4.094 13.696 1.00 0.00 N ATOM 1154 CA TYR A 93 0.397 3.761 13.369 1.00 0.00 C ATOM 1155 C TYR A 93 0.777 2.400 13.952 1.00 0.00 C ATOM 1156 O TYR A 93 0.954 2.255 15.162 1.00 0.00 O ATOM 1157 CB TYR A 93 1.345 4.849 13.880 1.00 0.00 C ATOM 1158 CG TYR A 93 2.591 5.014 13.036 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.541 4.878 11.653 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.818 5.304 13.621 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.675 5.023 10.879 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.957 5.452 12.853 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.881 5.309 11.484 1.00 0.00 C ATOM 1164 OH TYR A 93 6.013 5.456 10.717 1.00 0.00 O ATOM 0 H TYR A 93 -1.119 5.031 14.076 1.00 0.00 H new ATOM 0 HA TYR A 93 0.489 3.705 12.284 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.811 5.798 13.913 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.638 4.612 14.903 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.598 4.655 11.176 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.882 5.415 14.693 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.618 4.913 9.806 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.903 5.679 13.323 1.00 0.00 H new ATOM 0 HH TYR A 93 6.777 5.656 11.297 1.00 0.00 H new ATOM 1174 N HIS A 94 0.876 1.402 13.077 1.00 0.00 N ATOM 1175 CA HIS A 94 1.207 0.039 13.490 1.00 0.00 C ATOM 1176 C HIS A 94 2.611 -0.372 13.011 1.00 0.00 C ATOM 1177 O HIS A 94 3.589 0.315 13.303 1.00 0.00 O ATOM 1178 CB HIS A 94 0.135 -0.922 12.960 1.00 0.00 C ATOM 1179 CG HIS A 94 0.049 -2.207 13.723 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.364 -3.432 13.173 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.322 -2.455 15.002 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.190 -4.377 14.080 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.225 -3.811 15.198 1.00 0.00 N ATOM 0 H HIS A 94 0.731 1.512 12.073 1.00 0.00 H new ATOM 0 HA HIS A 94 1.222 -0.006 14.579 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.834 -0.425 12.993 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.344 -1.144 11.914 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.636 -1.723 15.732 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.359 -5.433 13.932 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.439 -4.301 16.067 1.00 0.00 H new ATOM 1192 N GLY A 95 2.713 -1.493 12.284 1.00 0.00 N ATOM 1193 CA GLY A 95 4.006 -1.949 11.800 1.00 0.00 C ATOM 1194 C GLY A 95 4.043 -2.163 10.293 1.00 0.00 C ATOM 1195 O GLY A 95 5.104 -2.062 9.677 1.00 0.00 O ATOM 0 H GLY A 95 1.925 -2.087 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.767 -1.219 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.264 -2.883 12.299 1.00 0.00 H new ATOM 1199 N ARG A 96 2.889 -2.459 9.697 1.00 0.00 N ATOM 1200 CA ARG A 96 2.810 -2.686 8.253 1.00 0.00 C ATOM 1201 C ARG A 96 2.783 -1.360 7.492 1.00 0.00 C ATOM 1202 O ARG A 96 3.747 -1.015 6.808 1.00 0.00 O ATOM 1203 CB ARG A 96 1.574 -3.519 7.907 1.00 0.00 C ATOM 1204 CG ARG A 96 1.334 -4.686 8.853 1.00 0.00 C ATOM 1205 CD ARG A 96 1.811 -5.999 8.252 1.00 0.00 C ATOM 1206 NE ARG A 96 2.513 -6.828 9.229 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.901 -7.590 10.133 1.00 0.00 C ATOM 1208 NH1 ARG A 96 0.575 -7.629 10.191 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.616 -8.315 10.982 1.00 0.00 N ATOM 0 H ARG A 96 1.999 -2.547 10.188 1.00 0.00 H new ATOM 0 HA ARG A 96 3.700 -3.237 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.697 -2.871 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.678 -3.902 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.854 -4.506 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.271 -4.756 9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.956 -6.549 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.472 -5.793 7.410 1.00 0.00 H new ATOM 0 HE ARG A 96 3.533 -6.823 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.020 -7.073 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.112 -8.215 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.635 -8.289 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.147 -8.899 11.675 1.00 0.00 H new ATOM 1223 N VAL A 97 1.673 -0.624 7.615 1.00 0.00 N ATOM 1224 CA VAL A 97 1.501 0.669 6.952 1.00 0.00 C ATOM 1225 C VAL A 97 2.806 1.454 6.871 1.00 0.00 C ATOM 1226 O VAL A 97 3.014 2.208 5.939 1.00 0.00 O ATOM 1227 CB VAL A 97 0.454 1.537 7.681 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.225 2.847 6.945 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.850 0.779 7.842 1.00 0.00 C ATOM 0 H VAL A 97 0.871 -0.909 8.177 1.00 0.00 H new ATOM 0 HA VAL A 97 1.160 0.445 5.941 1.00 0.00 H new ATOM 0 HB VAL A 97 0.841 1.771 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.517 3.440 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.162 3.402 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.134 2.640 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.575 1.408 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.238 0.509 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.675 -0.126 8.424 1.00 0.00 H new ATOM 1239 N LYS A 98 3.680 1.279 7.850 1.00 0.00 N ATOM 1240 CA LYS A 98 4.949 1.980 7.863 1.00 0.00 C ATOM 1241 C LYS A 98 5.760 1.662 6.616 1.00 0.00 C ATOM 1242 O LYS A 98 5.762 2.427 5.652 1.00 0.00 O ATOM 1243 CB LYS A 98 5.737 1.601 9.109 1.00 0.00 C ATOM 1244 CG LYS A 98 5.484 2.533 10.267 1.00 0.00 C ATOM 1245 CD LYS A 98 4.552 1.906 11.297 1.00 0.00 C ATOM 1246 CE LYS A 98 3.084 2.069 10.909 1.00 0.00 C ATOM 1247 NZ LYS A 98 2.466 0.783 10.478 1.00 0.00 N ATOM 0 H LYS A 98 3.531 0.657 8.645 1.00 0.00 H new ATOM 0 HA LYS A 98 4.749 3.051 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.476 0.584 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.801 1.601 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.431 2.791 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.049 3.462 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.785 0.846 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.724 2.366 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.529 2.470 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.003 2.797 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.280 0.813 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.115 -0.002 10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.571 0.639 10.989 1.00 0.00 H new ATOM 1261 N ALA A 99 6.445 0.522 6.642 1.00 0.00 N ATOM 1262 CA ALA A 99 7.260 0.092 5.517 1.00 0.00 C ATOM 1263 C ALA A 99 6.463 0.115 4.219 1.00 0.00 C ATOM 1264 O ALA A 99 6.950 0.571 3.189 1.00 0.00 O ATOM 1265 CB ALA A 99 7.808 -1.305 5.775 1.00 0.00 C ATOM 0 H ALA A 99 6.450 -0.120 7.434 1.00 0.00 H new ATOM 0 HA ALA A 99 8.091 0.789 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.417 -1.619 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.419 -1.295 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.980 -2.002 5.905 1.00 0.00 H new ATOM 1271 N LEU A 100 5.228 -0.368 4.282 1.00 0.00 N ATOM 1272 CA LEU A 100 4.359 -0.409 3.126 1.00 0.00 C ATOM 1273 C LEU A 100 4.116 0.987 2.591 1.00 0.00 C ATOM 1274 O LEU A 100 4.094 1.212 1.381 1.00 0.00 O ATOM 1275 CB LEU A 100 3.032 -1.060 3.512 1.00 0.00 C ATOM 1276 CG LEU A 100 1.896 -0.818 2.530 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.916 -1.977 2.547 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.183 0.492 2.838 1.00 0.00 C ATOM 0 H LEU A 100 4.808 -0.739 5.134 1.00 0.00 H new ATOM 0 HA LEU A 100 4.839 -0.996 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.185 -2.135 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.732 -0.689 4.492 1.00 0.00 H new ATOM 0 HG LEU A 100 2.323 -0.745 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.111 -1.784 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.433 -2.895 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.499 -2.086 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.375 0.643 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.772 0.454 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.891 1.317 2.765 1.00 0.00 H new ATOM 1290 N ALA A 101 3.926 1.917 3.506 1.00 0.00 N ATOM 1291 CA ALA A 101 3.673 3.297 3.134 1.00 0.00 C ATOM 1292 C ALA A 101 4.911 3.907 2.505 1.00 0.00 C ATOM 1293 O ALA A 101 4.809 4.678 1.551 1.00 0.00 O ATOM 1294 CB ALA A 101 3.191 4.099 4.326 1.00 0.00 C ATOM 0 H ALA A 101 3.942 1.744 4.511 1.00 0.00 H new ATOM 0 HA ALA A 101 2.877 3.320 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.008 5.130 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.267 3.664 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.950 4.081 5.108 1.00 0.00 H new ATOM 1300 N GLU A 102 6.090 3.524 2.996 1.00 0.00 N ATOM 1301 CA GLU A 102 7.318 4.020 2.398 1.00 0.00 C ATOM 1302 C GLU A 102 7.442 3.386 1.027 1.00 0.00 C ATOM 1303 O GLU A 102 7.666 4.067 0.044 1.00 0.00 O ATOM 1304 CB GLU A 102 8.572 3.728 3.236 1.00 0.00 C ATOM 1305 CG GLU A 102 8.298 3.409 4.705 1.00 0.00 C ATOM 1306 CD GLU A 102 9.572 3.221 5.505 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.630 2.974 4.888 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.512 3.322 6.749 1.00 0.00 O ATOM 0 H GLU A 102 6.215 2.889 3.785 1.00 0.00 H new ATOM 0 HA GLU A 102 7.257 5.107 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.104 2.888 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.237 4.590 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.712 4.215 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.695 2.504 4.771 1.00 0.00 H new ATOM 1315 N GLY A 103 7.223 2.077 0.958 1.00 0.00 N ATOM 1316 CA GLY A 103 7.258 1.396 -0.323 1.00 0.00 C ATOM 1317 C GLY A 103 6.489 2.180 -1.356 1.00 0.00 C ATOM 1318 O GLY A 103 7.007 2.578 -2.397 1.00 0.00 O ATOM 0 H GLY A 103 7.023 1.479 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.291 1.271 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.832 0.398 -0.223 1.00 0.00 H new ATOM 1322 N ALA A 104 5.219 2.381 -1.023 1.00 0.00 N ATOM 1323 CA ALA A 104 4.285 3.106 -1.863 1.00 0.00 C ATOM 1324 C ALA A 104 4.762 4.531 -2.112 1.00 0.00 C ATOM 1325 O ALA A 104 4.765 5.006 -3.246 1.00 0.00 O ATOM 1326 CB ALA A 104 2.910 3.107 -1.221 1.00 0.00 C ATOM 0 H ALA A 104 4.809 2.040 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 104 4.226 2.604 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.212 3.653 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.564 2.080 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.965 3.588 -0.245 1.00 0.00 H new ATOM 1332 N ARG A 105 5.188 5.213 -1.055 1.00 0.00 N ATOM 1333 CA ARG A 105 5.684 6.575 -1.199 1.00 0.00 C ATOM 1334 C ARG A 105 7.074 6.551 -1.818 1.00 0.00 C ATOM 1335 O ARG A 105 7.319 7.162 -2.859 1.00 0.00 O ATOM 1336 CB ARG A 105 5.713 7.298 0.149 1.00 0.00 C ATOM 1337 CG ARG A 105 4.334 7.675 0.665 1.00 0.00 C ATOM 1338 CD ARG A 105 4.317 9.082 1.241 1.00 0.00 C ATOM 1339 NE ARG A 105 5.311 9.253 2.299 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.553 10.411 2.909 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.874 11.501 2.572 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.475 10.480 3.860 1.00 0.00 N ATOM 0 H ARG A 105 5.200 4.851 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 105 5.007 7.122 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.205 6.661 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.316 8.201 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.610 7.605 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.025 6.964 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.507 9.802 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.325 9.300 1.637 1.00 0.00 H new ATOM 0 HE ARG A 105 5.851 8.437 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.163 11.454 1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.064 12.386 3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.999 9.646 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.660 11.368 4.327 1.00 0.00 H new ATOM 1356 N GLU A 106 7.971 5.814 -1.177 1.00 0.00 N ATOM 1357 CA GLU A 106 9.340 5.658 -1.650 1.00 0.00 C ATOM 1358 C GLU A 106 9.323 5.322 -3.141 1.00 0.00 C ATOM 1359 O GLU A 106 10.087 5.881 -3.929 1.00 0.00 O ATOM 1360 CB GLU A 106 10.044 4.536 -0.854 1.00 0.00 C ATOM 1361 CG GLU A 106 9.928 3.157 -1.480 1.00 0.00 C ATOM 1362 CD GLU A 106 10.899 2.160 -0.883 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.688 2.554 0.003 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.878 0.986 -1.308 1.00 0.00 O ATOM 0 H GLU A 106 7.770 5.308 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 106 9.889 6.588 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.100 4.787 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.625 4.502 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.910 2.789 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.106 3.233 -2.553 1.00 0.00 H new ATOM 1371 N GLY A 107 8.426 4.404 -3.513 1.00 0.00 N ATOM 1372 CA GLY A 107 8.302 4.004 -4.902 1.00 0.00 C ATOM 1373 C GLY A 107 7.914 5.181 -5.785 1.00 0.00 C ATOM 1374 O GLY A 107 8.537 5.409 -6.821 1.00 0.00 O ATOM 0 H GLY A 107 7.785 3.933 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.247 3.584 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.552 3.218 -4.990 1.00 0.00 H new ATOM 1378 N GLY A 108 6.900 5.952 -5.367 1.00 0.00 N ATOM 1379 CA GLY A 108 6.491 7.113 -6.150 1.00 0.00 C ATOM 1380 C GLY A 108 5.275 7.855 -5.600 1.00 0.00 C ATOM 1381 O GLY A 108 5.098 9.041 -5.880 1.00 0.00 O ATOM 0 H GLY A 108 6.364 5.795 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.328 7.808 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.273 6.790 -7.168 1.00 0.00 H new ATOM 1385 N LEU A 109 4.418 7.161 -4.858 1.00 0.00 N ATOM 1386 CA LEU A 109 3.201 7.762 -4.322 1.00 0.00 C ATOM 1387 C LEU A 109 3.458 8.757 -3.195 1.00 0.00 C ATOM 1388 O LEU A 109 4.419 8.645 -2.442 1.00 0.00 O ATOM 1389 CB LEU A 109 2.266 6.659 -3.840 1.00 0.00 C ATOM 1390 CG LEU A 109 1.609 5.886 -4.971 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.663 5.255 -5.855 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.649 4.837 -4.434 1.00 0.00 C ATOM 0 H LEU A 109 4.544 6.179 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 109 2.743 8.331 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.827 5.965 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.491 7.099 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 109 1.028 6.586 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.179 4.704 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.298 6.034 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.272 4.572 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.194 4.300 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.194 4.134 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.130 5.323 -3.847 1.00 0.00 H new ATOM 1404 N GLU A 110 2.568 9.736 -3.101 1.00 0.00 N ATOM 1405 CA GLU A 110 2.652 10.769 -2.076 1.00 0.00 C ATOM 1406 C GLU A 110 1.325 10.896 -1.332 1.00 0.00 C ATOM 1407 O GLU A 110 0.442 11.646 -1.749 1.00 0.00 O ATOM 1408 CB GLU A 110 3.032 12.113 -2.701 1.00 0.00 C ATOM 1409 CG GLU A 110 4.502 12.218 -3.076 1.00 0.00 C ATOM 1410 CD GLU A 110 4.713 12.544 -4.542 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.258 13.621 -4.982 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.331 11.722 -5.250 1.00 0.00 O ATOM 0 H GLU A 110 1.771 9.837 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 110 3.426 10.481 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.426 12.273 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.787 12.912 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.974 12.988 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.000 11.277 -2.843 1.00 0.00 H new ATOM 1419 N PHE A 111 1.183 10.158 -0.238 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.045 10.191 0.551 1.00 0.00 C ATOM 1421 C PHE A 111 0.261 10.422 2.027 1.00 0.00 C ATOM 1422 O PHE A 111 0.916 9.553 2.639 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.812 8.880 0.374 1.00 0.00 C ATOM 1424 CG PHE A 111 0.068 7.671 0.463 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.849 7.294 -0.612 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.122 6.921 1.624 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.668 6.188 -0.535 1.00 0.00 C ATOM 1428 CE2 PHE A 111 0.940 5.812 1.710 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.715 5.445 0.629 1.00 0.00 C ATOM 1430 OXT PHE A 111 -0.159 11.472 2.560 1.00 0.00 O ATOM 0 H PHE A 111 1.901 9.530 0.124 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.659 11.019 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.589 8.814 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.314 8.887 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.818 7.872 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.482 7.206 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.272 5.903 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.973 5.233 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.357 4.579 0.693 1.00 0.00 H new