USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 867 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 72 THR OG1 : rot 82:sc= 1.1 USER MOD Set 1.2: A 89 SER OG : rot -70:sc= 0.549 USER MOD Single : A 1 VAL N :NH3+ -162:sc= -0.03 (180deg=-0.39) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0962 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 26 GLN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 27 SER OG : rot -160:sc= -0.0909 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00434 USER MOD Single : A 51 THR OG1 : rot 179:sc= -3.43! USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= -0.218 (180deg=-1.22) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= -0.774 (180deg=-0.942) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.63 K(o=-1.6,f=-5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 98 HIS : no HD1:sc= -0.981 X(o=-0.98,f=-0.67) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 24.484 -4.142 1.883 1.00 0.00 N ATOM 2 CA VAL A 1 23.892 -5.488 1.641 1.00 0.00 C ATOM 3 C VAL A 1 22.387 -5.438 1.913 1.00 0.00 C ATOM 4 O VAL A 1 21.591 -5.948 1.150 1.00 0.00 O ATOM 5 CB VAL A 1 24.548 -6.508 2.573 1.00 0.00 C ATOM 6 CG1 VAL A 1 23.820 -7.849 2.458 1.00 0.00 C ATOM 7 CG2 VAL A 1 26.014 -6.690 2.175 1.00 0.00 C ATOM 0 H1 VAL A 1 25.414 -4.083 1.421 1.00 0.00 H new ATOM 0 H2 VAL A 1 23.856 -3.411 1.492 1.00 0.00 H new ATOM 0 H3 VAL A 1 24.596 -3.991 2.906 1.00 0.00 H new ATOM 0 HA VAL A 1 24.064 -5.781 0.605 1.00 0.00 H new ATOM 0 HB VAL A 1 24.490 -6.151 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 1 24.288 -8.575 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 1 22.775 -7.721 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 1 23.878 -8.207 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 1 26.484 -7.417 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 1 26.070 -7.048 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 1 26.534 -5.736 2.256 1.00 0.00 H new ATOM 19 N THR A 2 21.991 -4.825 2.995 1.00 0.00 N ATOM 20 CA THR A 2 20.539 -4.740 3.314 1.00 0.00 C ATOM 21 C THR A 2 19.889 -3.671 2.433 1.00 0.00 C ATOM 22 O THR A 2 20.541 -2.754 1.973 1.00 0.00 O ATOM 23 CB THR A 2 20.361 -4.368 4.787 1.00 0.00 C ATOM 24 OG1 THR A 2 21.615 -4.452 5.450 1.00 0.00 O ATOM 25 CG2 THR A 2 19.370 -5.331 5.443 1.00 0.00 C ATOM 0 H THR A 2 22.611 -4.380 3.672 1.00 0.00 H new ATOM 0 HA THR A 2 20.066 -5.704 3.126 1.00 0.00 H new ATOM 0 HB THR A 2 19.978 -3.350 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.503 -4.212 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 2 19.244 -5.065 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 2 18.408 -5.266 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 2 19.750 -6.350 5.370 1.00 0.00 H new ATOM 33 N ALA A 3 18.612 -3.780 2.193 1.00 0.00 N ATOM 34 CA ALA A 3 17.929 -2.766 1.340 1.00 0.00 C ATOM 35 C ALA A 3 16.416 -2.854 1.547 1.00 0.00 C ATOM 36 O ALA A 3 15.800 -1.951 2.077 1.00 0.00 O ATOM 37 CB ALA A 3 18.260 -3.034 -0.130 1.00 0.00 C ATOM 0 H ALA A 3 18.013 -4.525 2.549 1.00 0.00 H new ATOM 0 HA ALA A 3 18.273 -1.769 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 3 17.762 -2.294 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.338 -2.968 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.917 -4.031 -0.404 1.00 0.00 H new ATOM 43 N GLU A 4 15.810 -3.933 1.131 1.00 0.00 N ATOM 44 CA GLU A 4 14.336 -4.071 1.303 1.00 0.00 C ATOM 45 C GLU A 4 13.626 -3.020 0.446 1.00 0.00 C ATOM 46 O GLU A 4 14.252 -2.279 -0.286 1.00 0.00 O ATOM 47 CB GLU A 4 13.972 -3.864 2.774 1.00 0.00 C ATOM 48 CG GLU A 4 14.835 -4.777 3.648 1.00 0.00 C ATOM 49 CD GLU A 4 14.302 -4.768 5.081 1.00 0.00 C ATOM 50 OE1 GLU A 4 13.667 -3.794 5.450 1.00 0.00 O ATOM 51 OE2 GLU A 4 14.539 -5.735 5.787 1.00 0.00 O ATOM 0 H GLU A 4 16.271 -4.723 0.680 1.00 0.00 H new ATOM 0 HA GLU A 4 14.023 -5.067 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.127 -2.822 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.916 -4.083 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.825 -5.792 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.871 -4.439 3.632 1.00 0.00 H new ATOM 58 N ILE A 5 12.327 -2.948 0.530 1.00 0.00 N ATOM 59 CA ILE A 5 11.584 -1.943 -0.282 1.00 0.00 C ATOM 60 C ILE A 5 10.525 -1.263 0.587 1.00 0.00 C ATOM 61 O ILE A 5 9.810 -1.907 1.328 1.00 0.00 O ATOM 62 CB ILE A 5 10.902 -2.642 -1.458 1.00 0.00 C ATOM 63 CG1 ILE A 5 11.885 -3.616 -2.113 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.457 -1.600 -2.486 1.00 0.00 C ATOM 65 CD1 ILE A 5 11.123 -4.565 -3.040 1.00 0.00 C ATOM 0 H ILE A 5 11.748 -3.541 1.125 1.00 0.00 H new ATOM 0 HA ILE A 5 12.282 -1.194 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 5 10.032 -3.190 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.637 -3.065 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.414 -4.185 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.971 -2.100 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.756 -0.906 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.326 -1.050 -2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.823 -5.258 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.388 -5.125 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.615 -3.988 -3.813 1.00 0.00 H new ATOM 77 N ARG A 6 10.417 0.034 0.499 1.00 0.00 N ATOM 78 CA ARG A 6 9.401 0.753 1.316 1.00 0.00 C ATOM 79 C ARG A 6 8.173 1.047 0.450 1.00 0.00 C ATOM 80 O ARG A 6 8.245 1.781 -0.515 1.00 0.00 O ATOM 81 CB ARG A 6 9.993 2.070 1.825 1.00 0.00 C ATOM 82 CG ARG A 6 10.696 1.831 3.163 1.00 0.00 C ATOM 83 CD ARG A 6 12.180 1.552 2.917 1.00 0.00 C ATOM 84 NE ARG A 6 12.914 1.589 4.213 1.00 0.00 N ATOM 85 CZ ARG A 6 14.039 0.939 4.345 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.154 -0.271 3.870 1.00 0.00 N ATOM 87 NH2 ARG A 6 15.050 1.501 4.950 1.00 0.00 N ATOM 0 H ARG A 6 10.989 0.626 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 6 9.111 0.135 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.700 2.469 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.205 2.813 1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.581 2.703 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.238 0.989 3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.304 0.578 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.592 2.293 2.232 1.00 0.00 H new ATOM 0 HE ARG A 6 12.538 2.122 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.365 -0.710 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.033 -0.778 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.961 2.448 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.929 0.994 5.053 1.00 0.00 H new ATOM 101 N LEU A 7 7.048 0.478 0.786 1.00 0.00 N ATOM 102 CA LEU A 7 5.821 0.727 -0.022 1.00 0.00 C ATOM 103 C LEU A 7 4.609 0.848 0.905 1.00 0.00 C ATOM 104 O LEU A 7 4.692 0.587 2.089 1.00 0.00 O ATOM 105 CB LEU A 7 5.604 -0.432 -0.999 1.00 0.00 C ATOM 106 CG LEU A 7 5.902 -1.759 -0.300 1.00 0.00 C ATOM 107 CD1 LEU A 7 4.638 -2.620 -0.274 1.00 0.00 C ATOM 108 CD2 LEU A 7 7.005 -2.499 -1.062 1.00 0.00 C ATOM 0 H LEU A 7 6.925 -0.147 1.583 1.00 0.00 H new ATOM 0 HA LEU A 7 5.942 1.654 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.577 -0.425 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.252 -0.314 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 7 6.230 -1.565 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.852 -3.565 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.851 -2.095 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.309 -2.814 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.219 -3.445 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.676 -2.692 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.907 -1.887 -1.081 1.00 0.00 H new ATOM 120 N TYR A 8 3.485 1.243 0.375 1.00 0.00 N ATOM 121 CA TYR A 8 2.267 1.384 1.222 1.00 0.00 C ATOM 122 C TYR A 8 1.053 0.838 0.467 1.00 0.00 C ATOM 123 O TYR A 8 0.755 1.255 -0.635 1.00 0.00 O ATOM 124 CB TYR A 8 2.043 2.862 1.545 1.00 0.00 C ATOM 125 CG TYR A 8 1.115 2.987 2.730 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.560 2.624 4.009 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.189 3.464 2.551 1.00 0.00 C ATOM 128 CE1 TYR A 8 0.699 2.742 5.109 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.050 3.580 3.651 1.00 0.00 C ATOM 130 CZ TYR A 8 -0.606 3.219 4.930 1.00 0.00 C ATOM 131 OH TYR A 8 -1.453 3.333 6.013 1.00 0.00 O ATOM 0 H TYR A 8 3.357 1.475 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 8 2.400 0.824 2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.995 3.345 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.617 3.373 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.565 2.254 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.532 3.743 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.042 2.465 6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.056 3.948 3.513 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.320 3.680 5.715 1.00 0.00 H new ATOM 141 N ILE A 9 0.348 -0.092 1.052 1.00 0.00 N ATOM 142 CA ILE A 9 -0.847 -0.664 0.369 1.00 0.00 C ATOM 143 C ILE A 9 -2.106 -0.293 1.155 1.00 0.00 C ATOM 144 O ILE A 9 -2.121 -0.320 2.370 1.00 0.00 O ATOM 145 CB ILE A 9 -0.717 -2.188 0.303 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.671 -2.558 -0.222 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.783 -2.752 -0.637 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.804 -4.081 -0.281 1.00 0.00 C ATOM 0 H ILE A 9 0.548 -0.480 1.974 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.916 -0.262 -0.642 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.854 -2.607 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.823 -2.130 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.440 -2.140 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.690 -3.837 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.773 -2.488 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.647 -2.333 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.793 -4.346 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.671 -4.497 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.043 -4.487 -0.948 1.00 0.00 H new ATOM 160 N THR A 10 -3.163 0.055 0.475 1.00 0.00 N ATOM 161 CA THR A 10 -4.417 0.428 1.187 1.00 0.00 C ATOM 162 C THR A 10 -4.938 -0.778 1.974 1.00 0.00 C ATOM 163 O THR A 10 -4.982 -1.884 1.474 1.00 0.00 O ATOM 164 CB THR A 10 -5.472 0.868 0.168 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.884 1.775 -0.754 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.630 1.554 0.892 1.00 0.00 C ATOM 0 H THR A 10 -3.213 0.097 -0.543 1.00 0.00 H new ATOM 0 HA THR A 10 -4.212 1.248 1.875 1.00 0.00 H new ATOM 0 HB THR A 10 -5.848 -0.004 -0.367 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.556 2.057 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.380 1.866 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.079 0.858 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.258 2.427 1.428 1.00 0.00 H new ATOM 174 N GLU A 11 -5.332 -0.571 3.200 1.00 0.00 N ATOM 175 CA GLU A 11 -5.848 -1.706 4.019 1.00 0.00 C ATOM 176 C GLU A 11 -7.155 -2.221 3.412 1.00 0.00 C ATOM 177 O GLU A 11 -7.768 -1.569 2.590 1.00 0.00 O ATOM 178 CB GLU A 11 -6.104 -1.227 5.450 1.00 0.00 C ATOM 179 CG GLU A 11 -4.881 -1.533 6.317 1.00 0.00 C ATOM 180 CD GLU A 11 -5.333 -2.189 7.623 1.00 0.00 C ATOM 181 OE1 GLU A 11 -6.408 -1.853 8.091 1.00 0.00 O ATOM 182 OE2 GLU A 11 -4.595 -3.016 8.133 1.00 0.00 O ATOM 0 H GLU A 11 -5.319 0.334 3.671 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.112 -2.510 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.308 -0.156 5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.985 -1.722 5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.199 -2.194 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.333 -0.615 6.529 1.00 0.00 H new ATOM 189 N GLY A 12 -7.585 -3.386 3.809 1.00 0.00 N ATOM 190 CA GLY A 12 -8.852 -3.941 3.255 1.00 0.00 C ATOM 191 C GLY A 12 -9.142 -5.300 3.892 1.00 0.00 C ATOM 192 O GLY A 12 -8.312 -5.867 4.574 1.00 0.00 O ATOM 0 H GLY A 12 -7.114 -3.978 4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.676 -3.255 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.772 -4.046 2.173 1.00 0.00 H new ATOM 196 N GLU A 13 -10.315 -5.829 3.675 1.00 0.00 N ATOM 197 CA GLU A 13 -10.659 -7.151 4.267 1.00 0.00 C ATOM 198 C GLU A 13 -11.473 -7.963 3.259 1.00 0.00 C ATOM 199 O GLU A 13 -12.497 -8.529 3.584 1.00 0.00 O ATOM 200 CB GLU A 13 -11.485 -6.942 5.539 1.00 0.00 C ATOM 201 CG GLU A 13 -11.776 -8.296 6.189 1.00 0.00 C ATOM 202 CD GLU A 13 -13.289 -8.477 6.336 1.00 0.00 C ATOM 203 OE1 GLU A 13 -13.948 -7.517 6.697 1.00 0.00 O ATOM 204 OE2 GLU A 13 -13.761 -9.573 6.083 1.00 0.00 O ATOM 0 H GLU A 13 -11.051 -5.401 3.112 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.743 -7.688 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.944 -6.302 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.419 -6.434 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.360 -9.100 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.296 -8.353 7.166 1.00 0.00 H new ATOM 211 N VAL A 14 -11.027 -8.024 2.034 1.00 0.00 N ATOM 212 CA VAL A 14 -11.776 -8.798 1.003 1.00 0.00 C ATOM 213 C VAL A 14 -10.896 -9.940 0.489 1.00 0.00 C ATOM 214 O VAL A 14 -9.728 -10.027 0.809 1.00 0.00 O ATOM 215 CB VAL A 14 -12.156 -7.883 -0.168 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.548 -8.259 -0.676 1.00 0.00 C ATOM 217 CG2 VAL A 14 -12.163 -6.419 0.289 1.00 0.00 C ATOM 0 H VAL A 14 -10.176 -7.571 1.702 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.684 -9.203 1.449 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.425 -8.006 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.819 -7.609 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.545 -9.296 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.273 -8.140 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.434 -5.777 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.889 -6.292 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.171 -6.146 0.649 1.00 0.00 H new ATOM 227 N GLU A 15 -11.448 -10.816 -0.305 1.00 0.00 N ATOM 228 CA GLU A 15 -10.641 -11.950 -0.837 1.00 0.00 C ATOM 229 C GLU A 15 -9.593 -11.417 -1.817 1.00 0.00 C ATOM 230 O GLU A 15 -8.569 -12.033 -2.042 1.00 0.00 O ATOM 231 CB GLU A 15 -11.561 -12.938 -1.558 1.00 0.00 C ATOM 232 CG GLU A 15 -12.546 -12.170 -2.441 1.00 0.00 C ATOM 233 CD GLU A 15 -13.022 -13.074 -3.580 1.00 0.00 C ATOM 234 OE1 GLU A 15 -12.229 -13.877 -4.043 1.00 0.00 O ATOM 235 OE2 GLU A 15 -14.171 -12.948 -3.969 1.00 0.00 O ATOM 0 H GLU A 15 -12.422 -10.796 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.140 -12.457 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.970 -13.624 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.103 -13.543 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.397 -11.835 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.069 -11.278 -2.846 1.00 0.00 H new ATOM 242 N ASP A 16 -9.839 -10.277 -2.402 1.00 0.00 N ATOM 243 CA ASP A 16 -8.855 -9.708 -3.367 1.00 0.00 C ATOM 244 C ASP A 16 -7.577 -9.319 -2.623 1.00 0.00 C ATOM 245 O ASP A 16 -6.493 -9.752 -2.961 1.00 0.00 O ATOM 246 CB ASP A 16 -9.454 -8.467 -4.033 1.00 0.00 C ATOM 247 CG ASP A 16 -10.881 -8.769 -4.491 1.00 0.00 C ATOM 248 OD1 ASP A 16 -11.184 -9.935 -4.690 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.648 -7.831 -4.634 1.00 0.00 O ATOM 0 H ASP A 16 -10.677 -9.715 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.620 -10.452 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.455 -7.631 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.843 -8.169 -4.885 1.00 0.00 H new ATOM 254 N TYR A 17 -7.694 -8.503 -1.611 1.00 0.00 N ATOM 255 CA TYR A 17 -6.486 -8.085 -0.846 1.00 0.00 C ATOM 256 C TYR A 17 -5.694 -9.324 -0.426 1.00 0.00 C ATOM 257 O TYR A 17 -4.480 -9.334 -0.450 1.00 0.00 O ATOM 258 CB TYR A 17 -6.915 -7.308 0.400 1.00 0.00 C ATOM 259 CG TYR A 17 -5.772 -6.442 0.874 1.00 0.00 C ATOM 260 CD1 TYR A 17 -5.412 -5.297 0.152 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.071 -6.785 2.039 1.00 0.00 C ATOM 262 CE1 TYR A 17 -4.353 -4.494 0.593 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.011 -5.982 2.480 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.652 -4.836 1.758 1.00 0.00 C ATOM 265 OH TYR A 17 -2.608 -4.045 2.193 1.00 0.00 O ATOM 0 H TYR A 17 -8.575 -8.108 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.861 -7.450 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.784 -6.690 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.212 -8.000 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.952 -5.033 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.348 -7.668 2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.076 -3.611 0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.470 -6.246 3.377 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.232 -4.423 3.015 1.00 0.00 H new ATOM 275 N ARG A 18 -6.372 -10.370 -0.040 1.00 0.00 N ATOM 276 CA ARG A 18 -5.658 -11.608 0.382 1.00 0.00 C ATOM 277 C ARG A 18 -4.869 -12.174 -0.801 1.00 0.00 C ATOM 278 O ARG A 18 -3.743 -12.606 -0.659 1.00 0.00 O ATOM 279 CB ARG A 18 -6.677 -12.645 0.857 1.00 0.00 C ATOM 280 CG ARG A 18 -6.299 -13.130 2.258 1.00 0.00 C ATOM 281 CD ARG A 18 -7.018 -14.448 2.553 1.00 0.00 C ATOM 282 NE ARG A 18 -8.355 -14.162 3.145 1.00 0.00 N ATOM 283 CZ ARG A 18 -8.443 -13.547 4.293 1.00 0.00 C ATOM 284 NH1 ARG A 18 -8.106 -14.165 5.391 1.00 0.00 N ATOM 285 NH2 ARG A 18 -8.867 -12.314 4.342 1.00 0.00 N ATOM 0 H ARG A 18 -7.390 -10.421 0.001 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.971 -11.371 1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.676 -12.209 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.705 -13.487 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.220 -13.269 2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.573 -12.380 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.131 -15.026 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.426 -15.052 3.240 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.202 -14.447 2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.774 -15.129 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.175 -13.685 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.130 -11.831 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.936 -11.834 5.239 1.00 0.00 H new ATOM 299 N VAL A 19 -5.454 -12.181 -1.968 1.00 0.00 N ATOM 300 CA VAL A 19 -4.740 -12.726 -3.158 1.00 0.00 C ATOM 301 C VAL A 19 -3.474 -11.909 -3.423 1.00 0.00 C ATOM 302 O VAL A 19 -2.422 -12.451 -3.701 1.00 0.00 O ATOM 303 CB VAL A 19 -5.656 -12.649 -4.381 1.00 0.00 C ATOM 304 CG1 VAL A 19 -4.914 -13.183 -5.608 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.907 -13.494 -4.135 1.00 0.00 C ATOM 0 H VAL A 19 -6.396 -11.833 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.467 -13.764 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.945 -11.612 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.566 -13.128 -6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.022 -12.582 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.625 -14.220 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.560 -13.439 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.618 -14.531 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.436 -13.115 -3.261 1.00 0.00 H new ATOM 315 N PHE A 20 -3.563 -10.609 -3.347 1.00 0.00 N ATOM 316 CA PHE A 20 -2.365 -9.763 -3.602 1.00 0.00 C ATOM 317 C PHE A 20 -1.284 -10.080 -2.566 1.00 0.00 C ATOM 318 O PHE A 20 -0.134 -10.284 -2.899 1.00 0.00 O ATOM 319 CB PHE A 20 -2.760 -8.289 -3.503 1.00 0.00 C ATOM 320 CG PHE A 20 -2.053 -7.504 -4.582 1.00 0.00 C ATOM 321 CD1 PHE A 20 -2.499 -7.582 -5.908 1.00 0.00 C ATOM 322 CD2 PHE A 20 -0.954 -6.697 -4.258 1.00 0.00 C ATOM 323 CE1 PHE A 20 -1.847 -6.854 -6.912 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.301 -5.969 -5.263 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.748 -6.047 -6.588 1.00 0.00 C ATOM 0 H PHE A 20 -4.415 -10.097 -3.119 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.975 -9.969 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.840 -8.183 -3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.497 -7.896 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.346 -8.204 -6.156 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.611 -6.636 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.191 -6.915 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.547 -5.348 -5.015 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.245 -5.485 -7.361 1.00 0.00 H new ATOM 335 N LEU A 21 -1.644 -10.127 -1.312 1.00 0.00 N ATOM 336 CA LEU A 21 -0.636 -10.435 -0.259 1.00 0.00 C ATOM 337 C LEU A 21 -0.136 -11.869 -0.443 1.00 0.00 C ATOM 338 O LEU A 21 0.920 -12.235 0.033 1.00 0.00 O ATOM 339 CB LEU A 21 -1.277 -10.291 1.122 1.00 0.00 C ATOM 340 CG LEU A 21 -0.294 -9.608 2.073 1.00 0.00 C ATOM 341 CD1 LEU A 21 -0.169 -8.129 1.702 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.806 -9.730 3.509 1.00 0.00 C ATOM 0 H LEU A 21 -2.592 -9.965 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 21 0.201 -9.742 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.194 -9.707 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.553 -11.271 1.510 1.00 0.00 H new ATOM 0 HG LEU A 21 0.682 -10.087 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.532 -7.642 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.195 -8.040 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.145 -7.650 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.106 -9.243 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.782 -9.251 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.896 -10.783 3.775 1.00 0.00 H new ATOM 354 N GLU A 22 -0.887 -12.683 -1.133 1.00 0.00 N ATOM 355 CA GLU A 22 -0.457 -14.093 -1.349 1.00 0.00 C ATOM 356 C GLU A 22 0.692 -14.122 -2.359 1.00 0.00 C ATOM 357 O GLU A 22 1.755 -14.644 -2.090 1.00 0.00 O ATOM 358 CB GLU A 22 -1.632 -14.908 -1.891 1.00 0.00 C ATOM 359 CG GLU A 22 -1.876 -16.116 -0.983 1.00 0.00 C ATOM 360 CD GLU A 22 -2.021 -15.646 0.464 1.00 0.00 C ATOM 361 OE1 GLU A 22 -3.133 -15.325 0.854 1.00 0.00 O ATOM 362 OE2 GLU A 22 -1.019 -15.613 1.159 1.00 0.00 O ATOM 0 H GLU A 22 -1.780 -12.432 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.124 -14.522 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.527 -14.288 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.420 -15.240 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.776 -16.644 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.048 -16.820 -1.066 1.00 0.00 H new ATOM 369 N ARG A 23 0.484 -13.564 -3.520 1.00 0.00 N ATOM 370 CA ARG A 23 1.562 -13.559 -4.547 1.00 0.00 C ATOM 371 C ARG A 23 2.803 -12.867 -3.979 1.00 0.00 C ATOM 372 O ARG A 23 3.897 -13.393 -4.026 1.00 0.00 O ATOM 373 CB ARG A 23 1.082 -12.806 -5.789 1.00 0.00 C ATOM 374 CG ARG A 23 -0.151 -13.506 -6.364 1.00 0.00 C ATOM 375 CD ARG A 23 0.280 -14.461 -7.479 1.00 0.00 C ATOM 376 NE ARG A 23 -0.303 -15.810 -7.231 1.00 0.00 N ATOM 377 CZ ARG A 23 -0.106 -16.773 -8.089 1.00 0.00 C ATOM 378 NH1 ARG A 23 1.092 -17.260 -8.259 1.00 0.00 N ATOM 379 NH2 ARG A 23 -1.108 -17.249 -8.777 1.00 0.00 N ATOM 0 H ARG A 23 -0.386 -13.112 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 23 1.809 -14.585 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.841 -11.775 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.875 -12.771 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.669 -14.056 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.853 -12.769 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.052 -14.082 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.367 -14.525 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.856 -15.980 -6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.875 -16.888 -7.721 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.246 -18.013 -8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.045 -16.868 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.954 -18.002 -9.448 1.00 0.00 H new ATOM 393 N LEU A 24 2.641 -11.689 -3.438 1.00 0.00 N ATOM 394 CA LEU A 24 3.812 -10.967 -2.866 1.00 0.00 C ATOM 395 C LEU A 24 4.643 -11.936 -2.023 1.00 0.00 C ATOM 396 O LEU A 24 5.856 -11.958 -2.099 1.00 0.00 O ATOM 397 CB LEU A 24 3.322 -9.816 -1.985 1.00 0.00 C ATOM 398 CG LEU A 24 3.312 -8.522 -2.798 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.034 -7.737 -2.496 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.530 -7.676 -2.421 1.00 0.00 C ATOM 0 H LEU A 24 1.750 -11.197 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 24 4.425 -10.569 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.321 -10.031 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.971 -9.707 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 24 3.348 -8.761 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.028 -6.814 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.165 -8.339 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.997 -7.497 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.525 -6.752 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.493 -7.438 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.441 -8.234 -2.636 1.00 0.00 H new ATOM 412 N GLU A 25 4.001 -12.739 -1.219 1.00 0.00 N ATOM 413 CA GLU A 25 4.755 -13.707 -0.374 1.00 0.00 C ATOM 414 C GLU A 25 5.501 -14.693 -1.275 1.00 0.00 C ATOM 415 O GLU A 25 6.696 -14.876 -1.157 1.00 0.00 O ATOM 416 CB GLU A 25 3.778 -14.472 0.520 1.00 0.00 C ATOM 417 CG GLU A 25 3.023 -13.488 1.415 1.00 0.00 C ATOM 418 CD GLU A 25 3.640 -13.492 2.815 1.00 0.00 C ATOM 419 OE1 GLU A 25 4.834 -13.719 2.913 1.00 0.00 O ATOM 420 OE2 GLU A 25 2.907 -13.268 3.765 1.00 0.00 O ATOM 0 H GLU A 25 2.987 -12.766 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 25 5.470 -13.168 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.074 -15.036 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.318 -15.194 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.068 -12.485 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.970 -13.764 1.470 1.00 0.00 H new ATOM 427 N GLN A 26 4.804 -15.331 -2.177 1.00 0.00 N ATOM 428 CA GLN A 26 5.472 -16.304 -3.086 1.00 0.00 C ATOM 429 C GLN A 26 6.638 -15.615 -3.798 1.00 0.00 C ATOM 430 O GLN A 26 7.530 -16.259 -4.312 1.00 0.00 O ATOM 431 CB GLN A 26 4.467 -16.806 -4.125 1.00 0.00 C ATOM 432 CG GLN A 26 5.040 -18.032 -4.841 1.00 0.00 C ATOM 433 CD GLN A 26 3.897 -18.861 -5.430 1.00 0.00 C ATOM 434 OE1 GLN A 26 4.051 -20.040 -5.676 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.747 -18.290 -5.668 1.00 0.00 N ATOM 0 H GLN A 26 3.801 -15.220 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 26 5.845 -17.147 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.525 -17.062 -3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.250 -16.019 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.721 -17.719 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.619 -18.636 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.617 -17.300 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.979 -18.834 -6.060 1.00 0.00 H new ATOM 444 N SER A 27 6.636 -14.311 -3.832 1.00 0.00 N ATOM 445 CA SER A 27 7.744 -13.582 -4.510 1.00 0.00 C ATOM 446 C SER A 27 9.050 -13.823 -3.750 1.00 0.00 C ATOM 447 O SER A 27 9.951 -14.476 -4.238 1.00 0.00 O ATOM 448 CB SER A 27 7.433 -12.085 -4.528 1.00 0.00 C ATOM 449 OG SER A 27 6.088 -11.890 -4.943 1.00 0.00 O ATOM 0 H SER A 27 5.915 -13.719 -3.420 1.00 0.00 H new ATOM 0 HA SER A 27 7.846 -13.943 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.585 -11.658 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.113 -11.569 -5.205 1.00 0.00 H new ATOM 0 HG SER A 27 5.974 -10.970 -5.260 1.00 0.00 H new ATOM 455 N GLY A 28 9.160 -13.300 -2.560 1.00 0.00 N ATOM 456 CA GLY A 28 10.409 -13.502 -1.770 1.00 0.00 C ATOM 457 C GLY A 28 11.035 -12.144 -1.444 1.00 0.00 C ATOM 458 O GLY A 28 11.816 -12.017 -0.522 1.00 0.00 O ATOM 0 H GLY A 28 8.440 -12.742 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.186 -14.041 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.114 -14.113 -2.334 1.00 0.00 H new ATOM 462 N LEU A 29 10.701 -11.130 -2.194 1.00 0.00 N ATOM 463 CA LEU A 29 11.278 -9.782 -1.927 1.00 0.00 C ATOM 464 C LEU A 29 10.906 -9.338 -0.511 1.00 0.00 C ATOM 465 O LEU A 29 9.884 -9.723 0.023 1.00 0.00 O ATOM 466 CB LEU A 29 10.720 -8.780 -2.939 1.00 0.00 C ATOM 467 CG LEU A 29 9.195 -8.756 -2.844 1.00 0.00 C ATOM 468 CD1 LEU A 29 8.748 -7.474 -2.139 1.00 0.00 C ATOM 469 CD2 LEU A 29 8.597 -8.798 -4.252 1.00 0.00 C ATOM 0 H LEU A 29 10.053 -11.177 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 29 12.363 -9.827 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.123 -7.786 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.028 -9.056 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 29 8.852 -9.621 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.660 -7.456 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.175 -7.442 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.090 -6.608 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.509 -8.781 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.940 -7.932 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.916 -9.711 -4.756 1.00 0.00 H new ATOM 481 N GLU A 30 11.725 -8.526 0.102 1.00 0.00 N ATOM 482 CA GLU A 30 11.417 -8.055 1.482 1.00 0.00 C ATOM 483 C GLU A 30 10.812 -6.651 1.417 1.00 0.00 C ATOM 484 O GLU A 30 11.498 -5.680 1.169 1.00 0.00 O ATOM 485 CB GLU A 30 12.705 -8.014 2.308 1.00 0.00 C ATOM 486 CG GLU A 30 13.067 -9.430 2.761 1.00 0.00 C ATOM 487 CD GLU A 30 13.635 -9.380 4.180 1.00 0.00 C ATOM 488 OE1 GLU A 30 13.506 -8.346 4.814 1.00 0.00 O ATOM 489 OE2 GLU A 30 14.190 -10.378 4.610 1.00 0.00 O ATOM 0 H GLU A 30 12.594 -8.169 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 30 10.707 -8.738 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.516 -7.592 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.573 -7.366 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.185 -10.069 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.798 -9.866 2.080 1.00 0.00 H new ATOM 496 N TRP A 31 9.530 -6.535 1.636 1.00 0.00 N ATOM 497 CA TRP A 31 8.887 -5.193 1.584 1.00 0.00 C ATOM 498 C TRP A 31 8.574 -4.719 3.004 1.00 0.00 C ATOM 499 O TRP A 31 8.630 -5.478 3.951 1.00 0.00 O ATOM 500 CB TRP A 31 7.587 -5.282 0.782 1.00 0.00 C ATOM 501 CG TRP A 31 6.633 -6.199 1.478 1.00 0.00 C ATOM 502 CD1 TRP A 31 6.542 -7.532 1.264 1.00 0.00 C ATOM 503 CD2 TRP A 31 5.641 -5.877 2.494 1.00 0.00 C ATOM 504 NE1 TRP A 31 5.554 -8.049 2.082 1.00 0.00 N ATOM 505 CE2 TRP A 31 4.968 -7.069 2.860 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.259 -4.678 3.126 1.00 0.00 C ATOM 507 CZ2 TRP A 31 3.955 -7.069 3.820 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.239 -4.675 4.093 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.589 -5.869 4.439 1.00 0.00 C ATOM 0 H TRP A 31 8.902 -7.310 1.848 1.00 0.00 H new ATOM 0 HA TRP A 31 9.565 -4.486 1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.144 -4.292 0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 31 7.792 -5.649 -0.224 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.143 -8.099 0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.290 -9.034 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.753 -3.754 2.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.457 -7.990 4.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.954 -3.750 4.572 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.806 -5.862 5.183 1.00 0.00 H new ATOM 520 N ARG A 32 8.241 -3.466 3.159 1.00 0.00 N ATOM 521 CA ARG A 32 7.921 -2.940 4.516 1.00 0.00 C ATOM 522 C ARG A 32 6.857 -1.845 4.398 1.00 0.00 C ATOM 523 O ARG A 32 6.840 -1.102 3.437 1.00 0.00 O ATOM 524 CB ARG A 32 9.186 -2.356 5.148 1.00 0.00 C ATOM 525 CG ARG A 32 9.603 -3.215 6.343 1.00 0.00 C ATOM 526 CD ARG A 32 10.792 -2.565 7.050 1.00 0.00 C ATOM 527 NE ARG A 32 10.310 -1.450 7.912 1.00 0.00 N ATOM 528 CZ ARG A 32 11.086 -0.431 8.156 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.771 0.114 7.189 1.00 0.00 N ATOM 530 NH2 ARG A 32 11.176 0.045 9.368 1.00 0.00 N ATOM 0 H ARG A 32 8.177 -2.784 2.403 1.00 0.00 H new ATOM 0 HA ARG A 32 7.544 -3.749 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.990 -2.322 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.004 -1.330 5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.769 -3.322 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.869 -4.217 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.318 -3.304 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.504 -2.189 6.315 1.00 0.00 H new ATOM 0 HE ARG A 32 9.372 -1.484 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.700 -0.257 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.378 0.911 7.380 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.639 -0.380 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.783 0.842 9.559 1.00 0.00 H new ATOM 544 N PRO A 33 5.996 -1.780 5.383 1.00 0.00 N ATOM 545 CA PRO A 33 4.908 -0.786 5.423 1.00 0.00 C ATOM 546 C PRO A 33 5.447 0.580 5.859 1.00 0.00 C ATOM 547 O PRO A 33 5.745 0.800 7.016 1.00 0.00 O ATOM 548 CB PRO A 33 3.944 -1.353 6.468 1.00 0.00 C ATOM 549 CG PRO A 33 4.776 -2.305 7.360 1.00 0.00 C ATOM 550 CD PRO A 33 6.026 -2.691 6.546 1.00 0.00 C ATOM 0 HA PRO A 33 4.434 -0.628 4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.501 -0.553 7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.123 -1.887 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.057 -1.815 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.198 -3.190 7.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.937 -2.562 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.992 -3.735 6.235 1.00 0.00 H new ATOM 558 N ALA A 34 5.571 1.500 4.942 1.00 0.00 N ATOM 559 CA ALA A 34 6.088 2.850 5.307 1.00 0.00 C ATOM 560 C ALA A 34 4.926 3.843 5.359 1.00 0.00 C ATOM 561 O ALA A 34 3.790 3.473 5.578 1.00 0.00 O ATOM 562 CB ALA A 34 7.104 3.308 4.258 1.00 0.00 C ATOM 0 H ALA A 34 5.337 1.376 3.957 1.00 0.00 H new ATOM 0 HA ALA A 34 6.570 2.803 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.482 4.295 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.932 2.600 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.622 3.356 3.281 1.00 0.00 H new ATOM 568 N THR A 35 5.199 5.104 5.159 1.00 0.00 N ATOM 569 CA THR A 35 4.108 6.118 5.199 1.00 0.00 C ATOM 570 C THR A 35 3.698 6.483 3.768 1.00 0.00 C ATOM 571 O THR A 35 4.461 6.295 2.842 1.00 0.00 O ATOM 572 CB THR A 35 4.601 7.372 5.927 1.00 0.00 C ATOM 573 OG1 THR A 35 5.871 7.747 5.413 1.00 0.00 O ATOM 574 CG2 THR A 35 4.720 7.081 7.425 1.00 0.00 C ATOM 0 H THR A 35 6.130 5.475 4.970 1.00 0.00 H new ATOM 0 HA THR A 35 3.249 5.707 5.729 1.00 0.00 H new ATOM 0 HB THR A 35 3.892 8.185 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.187 8.550 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.071 7.974 7.942 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.745 6.793 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.429 6.268 7.583 1.00 0.00 H new ATOM 582 N PRO A 36 2.500 6.994 3.635 1.00 0.00 N ATOM 583 CA PRO A 36 1.950 7.398 2.329 1.00 0.00 C ATOM 584 C PRO A 36 2.538 8.742 1.890 1.00 0.00 C ATOM 585 O PRO A 36 2.263 9.227 0.811 1.00 0.00 O ATOM 586 CB PRO A 36 0.447 7.517 2.595 1.00 0.00 C ATOM 587 CG PRO A 36 0.288 7.732 4.119 1.00 0.00 C ATOM 588 CD PRO A 36 1.584 7.215 4.773 1.00 0.00 C ATOM 0 HA PRO A 36 2.182 6.694 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.019 8.351 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.077 6.617 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.132 8.786 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.580 7.192 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.992 7.940 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.410 6.294 5.329 1.00 0.00 H new ATOM 596 N GLU A 37 3.347 9.346 2.717 1.00 0.00 N ATOM 597 CA GLU A 37 3.954 10.655 2.343 1.00 0.00 C ATOM 598 C GLU A 37 5.404 10.434 1.905 1.00 0.00 C ATOM 599 O GLU A 37 6.005 11.272 1.264 1.00 0.00 O ATOM 600 CB GLU A 37 3.921 11.596 3.549 1.00 0.00 C ATOM 601 CG GLU A 37 2.819 12.640 3.355 1.00 0.00 C ATOM 602 CD GLU A 37 2.743 13.540 4.591 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.527 14.470 4.672 1.00 0.00 O ATOM 604 OE2 GLU A 37 1.901 13.281 5.436 1.00 0.00 O ATOM 0 H GLU A 37 3.614 8.990 3.635 1.00 0.00 H new ATOM 0 HA GLU A 37 3.389 11.099 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.741 11.028 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.886 12.089 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.024 13.239 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.861 12.147 3.192 1.00 0.00 H new ATOM 611 N ASP A 38 5.968 9.307 2.248 1.00 0.00 N ATOM 612 CA ASP A 38 7.377 9.027 1.855 1.00 0.00 C ATOM 613 C ASP A 38 7.529 7.538 1.537 1.00 0.00 C ATOM 614 O ASP A 38 8.540 6.931 1.828 1.00 0.00 O ATOM 615 CB ASP A 38 8.312 9.398 3.008 1.00 0.00 C ATOM 616 CG ASP A 38 8.777 10.845 2.843 1.00 0.00 C ATOM 617 OD1 ASP A 38 7.946 11.681 2.526 1.00 0.00 O ATOM 618 OD2 ASP A 38 9.955 11.094 3.038 1.00 0.00 O ATOM 0 H ASP A 38 5.512 8.568 2.784 1.00 0.00 H new ATOM 0 HA ASP A 38 7.633 9.617 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.797 9.277 3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.172 8.728 3.023 1.00 0.00 H new ATOM 623 N ALA A 39 6.529 6.943 0.945 1.00 0.00 N ATOM 624 CA ALA A 39 6.615 5.493 0.613 1.00 0.00 C ATOM 625 C ALA A 39 7.370 5.311 -0.705 1.00 0.00 C ATOM 626 O ALA A 39 7.016 5.881 -1.718 1.00 0.00 O ATOM 627 CB ALA A 39 5.203 4.917 0.474 1.00 0.00 C ATOM 0 H ALA A 39 5.657 7.399 0.677 1.00 0.00 H new ATOM 0 HA ALA A 39 7.146 4.971 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.265 3.856 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.664 5.043 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.673 5.441 -0.321 1.00 0.00 H new ATOM 633 N ASP A 40 8.407 4.519 -0.700 1.00 0.00 N ATOM 634 CA ASP A 40 9.181 4.297 -1.952 1.00 0.00 C ATOM 635 C ASP A 40 8.222 3.914 -3.082 1.00 0.00 C ATOM 636 O ASP A 40 8.449 4.225 -4.235 1.00 0.00 O ATOM 637 CB ASP A 40 10.192 3.169 -1.733 1.00 0.00 C ATOM 638 CG ASP A 40 11.404 3.385 -2.640 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.317 3.038 -3.807 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.400 3.895 -2.154 1.00 0.00 O ATOM 0 H ASP A 40 8.751 4.016 0.118 1.00 0.00 H new ATOM 0 HA ASP A 40 9.711 5.211 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.505 3.145 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.730 2.206 -1.949 1.00 0.00 H new ATOM 645 N ALA A 41 7.151 3.241 -2.759 1.00 0.00 N ATOM 646 CA ALA A 41 6.175 2.840 -3.811 1.00 0.00 C ATOM 647 C ALA A 41 4.782 2.718 -3.191 1.00 0.00 C ATOM 648 O ALA A 41 4.530 1.857 -2.372 1.00 0.00 O ATOM 649 CB ALA A 41 6.590 1.491 -4.405 1.00 0.00 C ATOM 0 H ALA A 41 6.910 2.952 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 41 6.158 3.593 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.876 1.197 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.583 1.577 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.606 0.737 -3.618 1.00 0.00 H new ATOM 655 N VAL A 42 3.875 3.575 -3.574 1.00 0.00 N ATOM 656 CA VAL A 42 2.500 3.506 -3.004 1.00 0.00 C ATOM 657 C VAL A 42 1.619 2.629 -3.895 1.00 0.00 C ATOM 658 O VAL A 42 1.233 3.018 -4.979 1.00 0.00 O ATOM 659 CB VAL A 42 1.905 4.913 -2.929 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.870 4.970 -1.805 1.00 0.00 C ATOM 661 CG2 VAL A 42 3.019 5.925 -2.645 1.00 0.00 C ATOM 0 H VAL A 42 4.027 4.318 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 42 2.546 3.077 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 42 1.426 5.155 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.446 5.973 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.076 4.250 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.349 4.728 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.595 6.928 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.498 5.682 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.759 5.886 -3.445 1.00 0.00 H new ATOM 671 N ILE A 43 1.296 1.447 -3.447 1.00 0.00 N ATOM 672 CA ILE A 43 0.439 0.547 -4.269 1.00 0.00 C ATOM 673 C ILE A 43 -1.032 0.790 -3.927 1.00 0.00 C ATOM 674 O ILE A 43 -1.527 0.338 -2.914 1.00 0.00 O ATOM 675 CB ILE A 43 0.799 -0.909 -3.973 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.231 -1.185 -4.438 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.163 -1.835 -4.718 1.00 0.00 C ATOM 678 CD1 ILE A 43 3.060 -1.700 -3.261 1.00 0.00 C ATOM 0 H ILE A 43 1.588 1.066 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 43 0.604 0.754 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 43 0.722 -1.090 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.228 -1.920 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.676 -0.274 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.094 -2.873 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.184 -1.640 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.086 -1.653 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.080 -1.896 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.074 -0.950 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.618 -2.621 -2.880 1.00 0.00 H new ATOM 690 N VAL A 44 -1.734 1.505 -4.763 1.00 0.00 N ATOM 691 CA VAL A 44 -3.172 1.779 -4.484 1.00 0.00 C ATOM 692 C VAL A 44 -4.037 0.696 -5.130 1.00 0.00 C ATOM 693 O VAL A 44 -3.870 0.358 -6.285 1.00 0.00 O ATOM 694 CB VAL A 44 -3.552 3.144 -5.059 1.00 0.00 C ATOM 695 CG1 VAL A 44 -4.969 3.508 -4.612 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.569 4.201 -4.550 1.00 0.00 C ATOM 0 H VAL A 44 -1.374 1.911 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.337 1.778 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.513 3.105 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.241 4.481 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.669 2.754 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.008 3.549 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.838 5.175 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.609 4.241 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.559 3.941 -4.867 1.00 0.00 H new ATOM 706 N LEU A 45 -4.966 0.151 -4.393 1.00 0.00 N ATOM 707 CA LEU A 45 -5.848 -0.907 -4.960 1.00 0.00 C ATOM 708 C LEU A 45 -7.217 -0.303 -5.286 1.00 0.00 C ATOM 709 O LEU A 45 -7.776 0.445 -4.509 1.00 0.00 O ATOM 710 CB LEU A 45 -6.017 -2.031 -3.936 1.00 0.00 C ATOM 711 CG LEU A 45 -5.240 -3.266 -4.398 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.854 -3.800 -5.692 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.779 -2.887 -4.648 1.00 0.00 C ATOM 0 H LEU A 45 -5.152 0.394 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.400 -1.309 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.656 -1.705 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.073 -2.275 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.290 -4.034 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.301 -4.680 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.895 -4.071 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.805 -3.031 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.226 -3.767 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.729 -2.118 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.339 -2.506 -3.726 1.00 0.00 H new ATOM 725 N ALA A 46 -7.762 -0.621 -6.430 1.00 0.00 N ATOM 726 CA ALA A 46 -9.093 -0.061 -6.801 1.00 0.00 C ATOM 727 C ALA A 46 -10.195 -1.037 -6.386 1.00 0.00 C ATOM 728 O ALA A 46 -11.341 -0.894 -6.767 1.00 0.00 O ATOM 729 CB ALA A 46 -9.152 0.158 -8.315 1.00 0.00 C ATOM 0 H ALA A 46 -7.344 -1.243 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.239 0.890 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.125 0.567 -8.586 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.369 0.856 -8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.004 -0.793 -8.826 1.00 0.00 H new ATOM 735 N GLY A 47 -9.861 -2.029 -5.607 1.00 0.00 N ATOM 736 CA GLY A 47 -10.892 -3.012 -5.170 1.00 0.00 C ATOM 737 C GLY A 47 -11.832 -2.356 -4.157 1.00 0.00 C ATOM 738 O GLY A 47 -13.022 -2.605 -4.149 1.00 0.00 O ATOM 0 H GLY A 47 -8.919 -2.201 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.459 -3.366 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.412 -3.883 -4.724 1.00 0.00 H new ATOM 742 N LEU A 48 -11.310 -1.521 -3.302 1.00 0.00 N ATOM 743 CA LEU A 48 -12.176 -0.852 -2.289 1.00 0.00 C ATOM 744 C LEU A 48 -12.689 0.476 -2.851 1.00 0.00 C ATOM 745 O LEU A 48 -12.880 1.433 -2.127 1.00 0.00 O ATOM 746 CB LEU A 48 -11.364 -0.589 -1.019 1.00 0.00 C ATOM 747 CG LEU A 48 -10.486 -1.803 -0.714 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.061 -1.537 -1.202 1.00 0.00 C ATOM 749 CD2 LEU A 48 -10.468 -2.053 0.797 1.00 0.00 C ATOM 0 H LEU A 48 -10.322 -1.272 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.023 -1.497 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.744 0.298 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.033 -0.391 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.888 -2.679 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.435 -2.402 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.072 -1.358 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.659 -0.661 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.842 -2.918 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.066 -1.177 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.483 -2.242 1.147 1.00 0.00 H new ATOM 761 N TRP A 49 -12.912 0.542 -4.135 1.00 0.00 N ATOM 762 CA TRP A 49 -13.413 1.810 -4.739 1.00 0.00 C ATOM 763 C TRP A 49 -14.788 2.147 -4.158 1.00 0.00 C ATOM 764 O TRP A 49 -15.259 3.263 -4.262 1.00 0.00 O ATOM 765 CB TRP A 49 -13.529 1.642 -6.255 1.00 0.00 C ATOM 766 CG TRP A 49 -14.122 2.878 -6.851 1.00 0.00 C ATOM 767 CD1 TRP A 49 -15.446 3.146 -6.926 1.00 0.00 C ATOM 768 CD2 TRP A 49 -13.438 4.016 -7.452 1.00 0.00 C ATOM 769 NE1 TRP A 49 -15.619 4.377 -7.535 1.00 0.00 N ATOM 770 CE2 TRP A 49 -14.412 4.952 -7.878 1.00 0.00 C ATOM 771 CE3 TRP A 49 -12.082 4.323 -7.668 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -14.050 6.151 -8.496 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -11.714 5.529 -8.290 1.00 0.00 C ATOM 774 CH2 TRP A 49 -12.698 6.440 -8.702 1.00 0.00 C ATOM 0 H TRP A 49 -12.769 -0.226 -4.791 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.716 2.617 -4.514 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.546 1.453 -6.687 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -14.151 0.778 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -16.238 2.505 -6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.528 4.807 -7.709 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.318 3.627 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.810 6.850 -8.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.670 5.755 -8.451 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.411 7.365 -9.179 1.00 0.00 H new ATOM 785 N GLY A 50 -15.437 1.192 -3.551 1.00 0.00 N ATOM 786 CA GLY A 50 -16.782 1.460 -2.967 1.00 0.00 C ATOM 787 C GLY A 50 -16.772 1.112 -1.477 1.00 0.00 C ATOM 788 O GLY A 50 -17.748 0.634 -0.935 1.00 0.00 O ATOM 0 H GLY A 50 -15.095 0.238 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.047 2.508 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.538 0.869 -3.484 1.00 0.00 H new ATOM 792 N THR A 51 -15.674 1.347 -0.811 1.00 0.00 N ATOM 793 CA THR A 51 -15.604 1.028 0.642 1.00 0.00 C ATOM 794 C THR A 51 -14.752 2.079 1.355 1.00 0.00 C ATOM 795 O THR A 51 -15.244 2.855 2.150 1.00 0.00 O ATOM 796 CB THR A 51 -14.975 -0.355 0.828 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.119 -0.632 -0.273 1.00 0.00 O ATOM 798 CG2 THR A 51 -16.077 -1.413 0.909 1.00 0.00 C ATOM 0 H THR A 51 -14.824 1.745 -1.210 1.00 0.00 H new ATOM 0 HA THR A 51 -16.609 1.030 1.065 1.00 0.00 H new ATOM 0 HB THR A 51 -14.395 -0.374 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.700 -1.509 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.628 -2.397 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.729 -1.195 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.661 -1.402 -0.011 1.00 0.00 H new ATOM 806 N ARG A 52 -13.476 2.112 1.078 1.00 0.00 N ATOM 807 CA ARG A 52 -12.595 3.114 1.744 1.00 0.00 C ATOM 808 C ARG A 52 -12.197 4.198 0.738 1.00 0.00 C ATOM 809 O ARG A 52 -11.032 4.495 0.560 1.00 0.00 O ATOM 810 CB ARG A 52 -11.338 2.417 2.267 1.00 0.00 C ATOM 811 CG ARG A 52 -11.740 1.240 3.158 1.00 0.00 C ATOM 812 CD ARG A 52 -11.289 1.508 4.595 1.00 0.00 C ATOM 813 NE ARG A 52 -12.033 2.680 5.138 1.00 0.00 N ATOM 814 CZ ARG A 52 -12.221 2.792 6.424 1.00 0.00 C ATOM 815 NH1 ARG A 52 -11.216 3.082 7.205 1.00 0.00 N ATOM 816 NH2 ARG A 52 -13.410 2.613 6.930 1.00 0.00 N ATOM 0 H ARG A 52 -13.006 1.489 0.420 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.131 3.572 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.731 2.065 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.727 3.122 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.820 1.098 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.287 0.320 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.470 0.630 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.216 1.700 4.621 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.395 3.393 4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.286 3.221 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.361 3.170 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.195 2.385 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.555 2.701 7.936 1.00 0.00 H new ATOM 830 N ARG A 53 -13.155 4.794 0.083 1.00 0.00 N ATOM 831 CA ARG A 53 -12.831 5.859 -0.905 1.00 0.00 C ATOM 832 C ARG A 53 -12.172 7.035 -0.183 1.00 0.00 C ATOM 833 O ARG A 53 -11.153 7.545 -0.605 1.00 0.00 O ATOM 834 CB ARG A 53 -14.118 6.330 -1.580 1.00 0.00 C ATOM 835 CG ARG A 53 -13.842 6.643 -3.051 1.00 0.00 C ATOM 836 CD ARG A 53 -15.084 7.274 -3.677 1.00 0.00 C ATOM 837 NE ARG A 53 -15.325 6.673 -5.020 1.00 0.00 N ATOM 838 CZ ARG A 53 -16.525 6.674 -5.530 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.956 7.721 -6.181 1.00 0.00 N ATOM 840 NH2 ARG A 53 -17.297 5.631 -5.389 1.00 0.00 N ATOM 0 H ARG A 53 -14.148 4.589 0.190 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.148 5.466 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.885 5.560 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.502 7.217 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.993 7.322 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.576 5.731 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.950 7.113 -3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.950 8.352 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.551 6.261 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.354 8.537 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.895 7.723 -6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.962 4.814 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.235 5.633 -5.789 1.00 0.00 H new ATOM 854 N ASP A 54 -12.747 7.468 0.905 1.00 0.00 N ATOM 855 CA ASP A 54 -12.157 8.609 1.658 1.00 0.00 C ATOM 856 C ASP A 54 -10.720 8.267 2.058 1.00 0.00 C ATOM 857 O ASP A 54 -9.908 9.137 2.300 1.00 0.00 O ATOM 858 CB ASP A 54 -12.988 8.871 2.916 1.00 0.00 C ATOM 859 CG ASP A 54 -12.634 10.246 3.485 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.558 11.184 2.709 1.00 0.00 O ATOM 861 OD2 ASP A 54 -12.444 10.338 4.686 1.00 0.00 O ATOM 0 H ASP A 54 -13.601 7.080 1.305 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.157 9.500 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.051 8.827 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.795 8.098 3.659 1.00 0.00 H new ATOM 866 N GLU A 55 -10.401 7.002 2.128 1.00 0.00 N ATOM 867 CA GLU A 55 -9.018 6.601 2.513 1.00 0.00 C ATOM 868 C GLU A 55 -8.080 6.794 1.320 1.00 0.00 C ATOM 869 O GLU A 55 -7.035 7.404 1.432 1.00 0.00 O ATOM 870 CB GLU A 55 -9.015 5.131 2.933 1.00 0.00 C ATOM 871 CG GLU A 55 -7.716 4.814 3.679 1.00 0.00 C ATOM 872 CD GLU A 55 -7.818 5.320 5.120 1.00 0.00 C ATOM 873 OE1 GLU A 55 -8.924 5.592 5.555 1.00 0.00 O ATOM 874 OE2 GLU A 55 -6.787 5.427 5.763 1.00 0.00 O ATOM 0 H GLU A 55 -11.039 6.230 1.935 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.677 7.218 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.873 4.923 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.108 4.491 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.533 3.739 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.871 5.285 3.176 1.00 0.00 H new ATOM 881 N ILE A 56 -8.441 6.276 0.178 1.00 0.00 N ATOM 882 CA ILE A 56 -7.567 6.428 -1.020 1.00 0.00 C ATOM 883 C ILE A 56 -7.428 7.912 -1.371 1.00 0.00 C ATOM 884 O ILE A 56 -6.447 8.334 -1.950 1.00 0.00 O ATOM 885 CB ILE A 56 -8.190 5.684 -2.203 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.188 4.180 -1.919 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.375 5.962 -3.468 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.591 3.614 -2.149 1.00 0.00 C ATOM 0 H ILE A 56 -9.303 5.754 0.023 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.583 6.013 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.215 6.027 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.471 3.678 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.873 3.994 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.819 5.432 -4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.374 7.033 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.350 5.620 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.589 2.543 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.297 4.108 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.888 3.787 -3.183 1.00 0.00 H new ATOM 900 N LEU A 57 -8.404 8.707 -1.028 1.00 0.00 N ATOM 901 CA LEU A 57 -8.330 10.162 -1.348 1.00 0.00 C ATOM 902 C LEU A 57 -7.292 10.839 -0.449 1.00 0.00 C ATOM 903 O LEU A 57 -6.638 11.784 -0.843 1.00 0.00 O ATOM 904 CB LEU A 57 -9.699 10.803 -1.115 1.00 0.00 C ATOM 905 CG LEU A 57 -9.638 12.290 -1.469 1.00 0.00 C ATOM 906 CD1 LEU A 57 -9.801 12.463 -2.980 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.765 13.032 -0.747 1.00 0.00 C ATOM 0 H LEU A 57 -9.250 8.413 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.038 10.287 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.453 10.305 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.997 10.679 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.676 12.698 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.757 13.523 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.999 11.934 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.763 12.055 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.722 14.092 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.727 12.624 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.650 12.910 0.330 1.00 0.00 H new ATOM 919 N GLY A 58 -7.139 10.368 0.758 1.00 0.00 N ATOM 920 CA GLY A 58 -6.148 10.992 1.682 1.00 0.00 C ATOM 921 C GLY A 58 -4.731 10.560 1.296 1.00 0.00 C ATOM 922 O GLY A 58 -3.806 11.348 1.314 1.00 0.00 O ATOM 0 H GLY A 58 -7.656 9.579 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.231 12.078 1.638 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.360 10.697 2.710 1.00 0.00 H new ATOM 926 N ALA A 59 -4.552 9.313 0.955 1.00 0.00 N ATOM 927 CA ALA A 59 -3.191 8.832 0.577 1.00 0.00 C ATOM 928 C ALA A 59 -2.767 9.463 -0.752 1.00 0.00 C ATOM 929 O ALA A 59 -1.617 9.802 -0.950 1.00 0.00 O ATOM 930 CB ALA A 59 -3.214 7.309 0.433 1.00 0.00 C ATOM 0 H ALA A 59 -5.287 8.607 0.922 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.480 9.117 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.221 6.955 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.510 6.858 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.928 7.027 -0.341 1.00 0.00 H new ATOM 936 N VAL A 60 -3.684 9.619 -1.667 1.00 0.00 N ATOM 937 CA VAL A 60 -3.327 10.222 -2.984 1.00 0.00 C ATOM 938 C VAL A 60 -3.113 11.730 -2.821 1.00 0.00 C ATOM 939 O VAL A 60 -2.280 12.322 -3.478 1.00 0.00 O ATOM 940 CB VAL A 60 -4.459 9.974 -3.981 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.043 10.482 -5.362 1.00 0.00 C ATOM 942 CG2 VAL A 60 -4.750 8.474 -4.057 1.00 0.00 C ATOM 0 H VAL A 60 -4.664 9.356 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.409 9.765 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.354 10.503 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.850 10.305 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.834 11.550 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.148 9.953 -5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.557 8.295 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.855 7.946 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.046 8.110 -3.073 1.00 0.00 H new ATOM 952 N ASP A 61 -3.863 12.357 -1.957 1.00 0.00 N ATOM 953 CA ASP A 61 -3.707 13.826 -1.760 1.00 0.00 C ATOM 954 C ASP A 61 -2.322 14.132 -1.182 1.00 0.00 C ATOM 955 O ASP A 61 -1.634 15.024 -1.636 1.00 0.00 O ATOM 956 CB ASP A 61 -4.784 14.328 -0.796 1.00 0.00 C ATOM 957 CG ASP A 61 -6.010 14.783 -1.591 1.00 0.00 C ATOM 958 OD1 ASP A 61 -5.830 15.245 -2.706 1.00 0.00 O ATOM 959 OD2 ASP A 61 -7.107 14.661 -1.071 1.00 0.00 O ATOM 0 H ASP A 61 -4.578 11.915 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.812 14.329 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.062 13.536 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.397 15.154 -0.200 1.00 0.00 H new ATOM 964 N LEU A 62 -1.907 13.403 -0.182 1.00 0.00 N ATOM 965 CA LEU A 62 -0.567 13.663 0.422 1.00 0.00 C ATOM 966 C LEU A 62 0.533 13.227 -0.549 1.00 0.00 C ATOM 967 O LEU A 62 1.530 13.900 -0.715 1.00 0.00 O ATOM 968 CB LEU A 62 -0.434 12.875 1.727 1.00 0.00 C ATOM 969 CG LEU A 62 -1.301 13.523 2.808 1.00 0.00 C ATOM 970 CD1 LEU A 62 -1.210 12.700 4.095 1.00 0.00 C ATOM 971 CD2 LEU A 62 -0.803 14.944 3.078 1.00 0.00 C ATOM 0 H LEU A 62 -2.435 12.641 0.243 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.466 14.729 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.741 11.841 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.608 12.854 2.046 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.337 13.558 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.827 13.161 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.564 11.687 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.174 12.665 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.421 15.406 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.233 14.908 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.866 15.532 2.162 1.00 0.00 H new ATOM 983 N ALA A 63 0.363 12.101 -1.186 1.00 0.00 N ATOM 984 CA ALA A 63 1.401 11.618 -2.141 1.00 0.00 C ATOM 985 C ALA A 63 1.511 12.590 -3.319 1.00 0.00 C ATOM 986 O ALA A 63 2.536 12.685 -3.963 1.00 0.00 O ATOM 987 CB ALA A 63 1.009 10.233 -2.658 1.00 0.00 C ATOM 0 H ALA A 63 -0.451 11.494 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 63 2.363 11.560 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.766 9.878 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.934 9.540 -1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.047 10.293 -3.166 1.00 0.00 H new ATOM 993 N ARG A 64 0.463 13.309 -3.609 1.00 0.00 N ATOM 994 CA ARG A 64 0.507 14.270 -4.749 1.00 0.00 C ATOM 995 C ARG A 64 1.275 15.528 -4.336 1.00 0.00 C ATOM 996 O ARG A 64 1.746 16.278 -5.168 1.00 0.00 O ATOM 997 CB ARG A 64 -0.921 14.654 -5.143 1.00 0.00 C ATOM 998 CG ARG A 64 -1.026 14.745 -6.666 1.00 0.00 C ATOM 999 CD ARG A 64 -2.242 15.595 -7.043 1.00 0.00 C ATOM 1000 NE ARG A 64 -1.914 16.430 -8.233 1.00 0.00 N ATOM 1001 CZ ARG A 64 -2.873 16.976 -8.931 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -3.678 17.839 -8.373 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -3.025 16.660 -10.188 1.00 0.00 N ATOM 0 H ARG A 64 -0.424 13.274 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 64 1.010 13.803 -5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.625 13.914 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.189 15.610 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.118 15.186 -7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.119 13.747 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.095 14.952 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.528 16.232 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.941 16.575 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.558 18.087 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.427 18.265 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.395 15.987 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.774 17.086 -10.734 1.00 0.00 H new ATOM 1017 N LYS A 65 1.400 15.769 -3.060 1.00 0.00 N ATOM 1018 CA LYS A 65 2.130 16.985 -2.598 1.00 0.00 C ATOM 1019 C LYS A 65 3.640 16.744 -2.660 1.00 0.00 C ATOM 1020 O LYS A 65 4.428 17.652 -2.491 1.00 0.00 O ATOM 1021 CB LYS A 65 1.725 17.305 -1.158 1.00 0.00 C ATOM 1022 CG LYS A 65 0.946 18.622 -1.129 1.00 0.00 C ATOM 1023 CD LYS A 65 0.854 19.132 0.311 1.00 0.00 C ATOM 1024 CE LYS A 65 2.225 19.638 0.765 1.00 0.00 C ATOM 1025 NZ LYS A 65 2.695 20.705 -0.164 1.00 0.00 N ATOM 0 H LYS A 65 1.029 15.177 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 65 1.875 17.823 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.113 16.499 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.611 17.380 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.441 19.363 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.054 18.474 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.119 19.934 0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.514 18.333 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.162 20.028 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.940 18.816 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.184 21.446 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.350 20.295 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.879 21.119 -0.658 1.00 0.00 H new ATOM 1039 N SER A 66 4.052 15.529 -2.897 1.00 0.00 N ATOM 1040 CA SER A 66 5.514 15.243 -2.963 1.00 0.00 C ATOM 1041 C SER A 66 5.847 14.556 -4.290 1.00 0.00 C ATOM 1042 O SER A 66 6.974 14.172 -4.533 1.00 0.00 O ATOM 1043 CB SER A 66 5.907 14.330 -1.802 1.00 0.00 C ATOM 1044 OG SER A 66 4.832 14.260 -0.876 1.00 0.00 O ATOM 0 H SER A 66 3.443 14.725 -3.047 1.00 0.00 H new ATOM 0 HA SER A 66 6.068 16.179 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.148 13.334 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.802 14.712 -1.310 1.00 0.00 H new ATOM 0 HG SER A 66 5.080 13.674 -0.131 1.00 0.00 H new ATOM 1050 N SER A 67 4.879 14.397 -5.149 1.00 0.00 N ATOM 1051 CA SER A 67 5.148 13.735 -6.457 1.00 0.00 C ATOM 1052 C SER A 67 5.651 12.309 -6.216 1.00 0.00 C ATOM 1053 O SER A 67 6.525 11.824 -6.906 1.00 0.00 O ATOM 1054 CB SER A 67 6.207 14.529 -7.222 1.00 0.00 C ATOM 1055 OG SER A 67 5.613 15.698 -7.770 1.00 0.00 O ATOM 0 H SER A 67 3.915 14.696 -5.003 1.00 0.00 H new ATOM 0 HA SER A 67 4.229 13.700 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.026 14.801 -6.556 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.633 13.917 -8.017 1.00 0.00 H new ATOM 0 HG SER A 67 6.290 16.210 -8.260 1.00 0.00 H new ATOM 1061 N LYS A 68 5.103 11.636 -5.242 1.00 0.00 N ATOM 1062 CA LYS A 68 5.543 10.240 -4.954 1.00 0.00 C ATOM 1063 C LYS A 68 5.049 9.312 -6.068 1.00 0.00 C ATOM 1064 O LYS A 68 4.142 9.657 -6.799 1.00 0.00 O ATOM 1065 CB LYS A 68 4.953 9.794 -3.614 1.00 0.00 C ATOM 1066 CG LYS A 68 5.581 10.607 -2.480 1.00 0.00 C ATOM 1067 CD LYS A 68 6.388 9.678 -1.570 1.00 0.00 C ATOM 1068 CE LYS A 68 7.704 9.309 -2.257 1.00 0.00 C ATOM 1069 NZ LYS A 68 8.559 8.539 -1.309 1.00 0.00 N ATOM 0 H LYS A 68 4.368 11.993 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 68 6.631 10.198 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.872 9.931 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.139 8.731 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.227 11.383 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.803 11.110 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.588 10.168 -0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.814 8.777 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.507 8.716 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.223 10.211 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.400 8.186 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.855 9.158 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.019 7.735 -0.929 1.00 0.00 H new ATOM 1083 N PRO A 69 5.659 8.157 -6.161 1.00 0.00 N ATOM 1084 CA PRO A 69 5.298 7.152 -7.177 1.00 0.00 C ATOM 1085 C PRO A 69 4.011 6.428 -6.770 1.00 0.00 C ATOM 1086 O PRO A 69 3.994 5.640 -5.846 1.00 0.00 O ATOM 1087 CB PRO A 69 6.493 6.195 -7.177 1.00 0.00 C ATOM 1088 CG PRO A 69 7.192 6.369 -5.808 1.00 0.00 C ATOM 1089 CD PRO A 69 6.761 7.744 -5.266 1.00 0.00 C ATOM 0 HA PRO A 69 5.107 7.581 -8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.166 5.165 -7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.176 6.427 -7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.902 5.574 -5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.275 6.318 -5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.429 7.678 -4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.584 8.458 -5.292 1.00 0.00 H new ATOM 1097 N ILE A 70 2.931 6.697 -7.452 1.00 0.00 N ATOM 1098 CA ILE A 70 1.645 6.032 -7.103 1.00 0.00 C ATOM 1099 C ILE A 70 1.279 5.016 -8.186 1.00 0.00 C ATOM 1100 O ILE A 70 0.916 5.374 -9.289 1.00 0.00 O ATOM 1101 CB ILE A 70 0.540 7.085 -7.003 1.00 0.00 C ATOM 1102 CG1 ILE A 70 1.010 8.231 -6.105 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.717 6.452 -6.404 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.147 9.205 -5.873 1.00 0.00 C ATOM 0 H ILE A 70 2.884 7.348 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 70 1.752 5.519 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 70 0.314 7.470 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.365 7.838 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.849 8.750 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.504 7.203 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.052 5.634 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.492 6.067 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.188 10.022 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.482 9.607 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.972 8.681 -5.391 1.00 0.00 H new ATOM 1116 N ILE A 71 1.368 3.751 -7.881 1.00 0.00 N ATOM 1117 CA ILE A 71 1.021 2.716 -8.893 1.00 0.00 C ATOM 1118 C ILE A 71 -0.413 2.237 -8.654 1.00 0.00 C ATOM 1119 O ILE A 71 -0.730 1.686 -7.618 1.00 0.00 O ATOM 1120 CB ILE A 71 1.983 1.533 -8.770 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.401 1.994 -9.120 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.555 0.427 -9.735 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.341 1.690 -7.952 1.00 0.00 C ATOM 0 H ILE A 71 1.666 3.390 -6.975 1.00 0.00 H new ATOM 0 HA ILE A 71 1.103 3.143 -9.893 1.00 0.00 H new ATOM 0 HB ILE A 71 1.964 1.152 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.747 1.487 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.405 3.063 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.240 -0.417 -9.648 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.544 0.101 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.575 0.807 -10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.350 2.018 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.998 2.217 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.346 0.617 -7.759 1.00 0.00 H new ATOM 1135 N THR A 72 -1.286 2.451 -9.601 1.00 0.00 N ATOM 1136 CA THR A 72 -2.701 2.016 -9.427 1.00 0.00 C ATOM 1137 C THR A 72 -2.829 0.521 -9.727 1.00 0.00 C ATOM 1138 O THR A 72 -2.127 -0.019 -10.561 1.00 0.00 O ATOM 1139 CB THR A 72 -3.595 2.805 -10.384 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.195 4.169 -10.386 1.00 0.00 O ATOM 1141 CG2 THR A 72 -5.051 2.699 -9.930 1.00 0.00 C ATOM 0 H THR A 72 -1.080 2.909 -10.489 1.00 0.00 H new ATOM 0 HA THR A 72 -3.009 2.201 -8.398 1.00 0.00 H new ATOM 0 HB THR A 72 -3.501 2.396 -11.390 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.430 4.285 -10.988 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.687 3.262 -10.613 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.356 1.653 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.149 3.107 -8.924 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.726 -0.152 -9.057 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.907 -1.611 -9.304 1.00 0.00 C ATOM 1151 C VAL A 73 -5.355 -1.881 -9.720 1.00 0.00 C ATOM 1152 O VAL A 73 -6.274 -1.719 -8.942 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.595 -2.388 -8.024 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.798 -3.884 -8.274 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -2.142 -2.133 -7.616 1.00 0.00 C ATOM 0 H VAL A 73 -4.342 0.247 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.232 -1.931 -10.098 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.261 -2.059 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.576 -4.439 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.832 -4.067 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.131 -4.214 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.918 -2.686 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.477 -2.464 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.995 -1.067 -7.440 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.563 -2.292 -10.941 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.952 -2.573 -11.405 1.00 0.00 C ATOM 1167 C ARG A 74 -7.631 -3.539 -10.430 1.00 0.00 C ATOM 1168 O ARG A 74 -6.969 -4.238 -9.690 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.905 -3.204 -12.799 1.00 0.00 C ATOM 1170 CG ARG A 74 -7.281 -2.155 -13.849 1.00 0.00 C ATOM 1171 CD ARG A 74 -6.263 -2.191 -14.992 1.00 0.00 C ATOM 1172 NE ARG A 74 -6.510 -3.389 -15.844 1.00 0.00 N ATOM 1173 CZ ARG A 74 -7.663 -3.544 -16.437 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -8.358 -2.498 -16.793 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -8.119 -4.743 -16.674 1.00 0.00 N ATOM 0 H ARG A 74 -4.833 -2.445 -11.637 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.517 -1.642 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.907 -3.593 -13.000 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.593 -4.048 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.282 -2.351 -14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.302 -1.163 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.341 -1.284 -15.591 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.250 -2.221 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.777 -4.089 -15.964 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.000 -1.561 -16.608 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.259 -2.618 -17.256 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.575 -5.560 -16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.020 -4.864 -17.137 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.939 -3.547 -10.461 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.751 -4.416 -9.592 1.00 0.00 C ATOM 1191 C PRO A 75 -9.761 -5.848 -10.135 1.00 0.00 C ATOM 1192 O PRO A 75 -9.366 -6.098 -11.257 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.147 -3.795 -9.662 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.193 -2.981 -10.977 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.732 -2.692 -11.368 1.00 0.00 C ATOM 0 HA PRO A 75 -9.372 -4.479 -8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.917 -4.567 -9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.331 -3.153 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.700 -3.542 -11.762 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.748 -2.053 -10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.543 -2.937 -12.413 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.486 -1.638 -11.239 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.206 -6.791 -9.351 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.234 -8.201 -9.830 1.00 0.00 C ATOM 1205 C TYR A 76 -11.379 -8.384 -10.829 1.00 0.00 C ATOM 1206 O TYR A 76 -11.167 -8.762 -11.965 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.436 -9.146 -8.645 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.424 -10.572 -9.140 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.244 -11.122 -9.661 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.591 -11.345 -9.085 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.232 -12.443 -10.126 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.580 -12.666 -9.550 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.401 -13.216 -10.071 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.390 -14.517 -10.530 1.00 0.00 O ATOM 0 H TYR A 76 -10.551 -6.646 -8.402 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.287 -8.431 -10.318 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.647 -8.998 -7.908 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.382 -8.929 -8.148 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.344 -10.527 -9.704 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.500 -10.922 -8.684 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.323 -12.866 -10.527 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.480 -13.261 -9.507 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.280 -14.911 -10.419 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.592 -8.126 -10.419 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.740 -8.294 -11.356 1.00 0.00 C ATOM 1226 C GLY A 77 -14.852 -7.301 -11.008 1.00 0.00 C ATOM 1227 O GLY A 77 -15.977 -7.441 -11.443 1.00 0.00 O ATOM 0 H GLY A 77 -12.837 -7.808 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.408 -8.136 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.121 -9.314 -11.298 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.550 -6.298 -10.229 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.596 -5.302 -9.863 1.00 0.00 C ATOM 1233 C LEU A 78 -15.921 -4.437 -11.082 1.00 0.00 C ATOM 1234 O LEU A 78 -16.913 -4.641 -11.754 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.082 -4.413 -8.728 1.00 0.00 C ATOM 1236 CG LEU A 78 -16.013 -3.212 -8.555 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -17.408 -3.698 -8.157 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -15.464 -2.295 -7.460 1.00 0.00 C ATOM 0 H LEU A 78 -13.627 -6.126 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.496 -5.823 -9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.031 -4.983 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.070 -4.073 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.074 -2.663 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -18.070 -2.841 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -17.801 -4.352 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.348 -4.248 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.127 -1.439 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.403 -2.845 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.470 -1.947 -7.742 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.092 -3.473 -11.374 1.00 0.00 N ATOM 1251 CA GLU A 79 -15.350 -2.596 -12.546 1.00 0.00 C ATOM 1252 C GLU A 79 -14.012 -2.162 -13.149 1.00 0.00 C ATOM 1253 O GLU A 79 -13.064 -2.920 -13.189 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.141 -1.368 -12.092 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.048 -0.897 -13.230 1.00 0.00 C ATOM 1256 CD GLU A 79 -17.295 0.607 -13.100 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -16.454 1.366 -13.552 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -18.319 0.974 -12.550 1.00 0.00 O ATOM 0 H GLU A 79 -14.245 -3.256 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.927 -3.135 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.738 -1.611 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.458 -0.569 -11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.586 -1.118 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.995 -1.435 -13.200 1.00 0.00 H new ATOM 1265 N ASN A 80 -13.925 -0.950 -13.616 1.00 0.00 N ATOM 1266 CA ASN A 80 -12.648 -0.469 -14.213 1.00 0.00 C ATOM 1267 C ASN A 80 -12.205 0.809 -13.498 1.00 0.00 C ATOM 1268 O ASN A 80 -12.890 1.315 -12.631 1.00 0.00 O ATOM 1269 CB ASN A 80 -12.853 -0.178 -15.701 1.00 0.00 C ATOM 1270 CG ASN A 80 -14.251 0.403 -15.921 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -14.699 1.240 -15.164 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -14.963 -0.009 -16.934 1.00 0.00 N ATOM 0 H ASN A 80 -14.684 -0.269 -13.611 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.882 -1.236 -14.099 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.097 0.524 -16.052 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.733 -1.093 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.896 0.372 -17.090 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -14.586 -0.712 -17.570 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.064 1.334 -13.850 1.00 0.00 N ATOM 1280 CA VAL A 81 -10.581 2.577 -13.186 1.00 0.00 C ATOM 1281 C VAL A 81 -10.876 3.785 -14.086 1.00 0.00 C ATOM 1282 O VAL A 81 -10.639 3.736 -15.276 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.072 2.473 -12.951 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -8.597 3.670 -12.126 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -8.765 1.179 -12.193 1.00 0.00 C ATOM 0 H VAL A 81 -10.446 0.956 -14.568 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.091 2.702 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.555 2.467 -13.911 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.522 3.594 -11.960 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.817 4.592 -12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.113 3.678 -11.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.691 1.102 -12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.283 1.187 -11.234 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.102 0.325 -12.780 1.00 0.00 H new ATOM 1295 N PRO A 82 -11.387 4.836 -13.490 1.00 0.00 N ATOM 1296 CA PRO A 82 -11.725 6.072 -14.219 1.00 0.00 C ATOM 1297 C PRO A 82 -10.460 6.895 -14.498 1.00 0.00 C ATOM 1298 O PRO A 82 -9.392 6.567 -14.020 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.656 6.814 -13.256 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.353 6.260 -11.844 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.675 4.892 -12.043 1.00 0.00 C ATOM 0 HA PRO A 82 -12.184 5.884 -15.190 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.481 7.889 -13.297 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.700 6.650 -13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.702 6.939 -11.293 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.270 6.157 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.763 4.810 -11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.328 4.075 -11.735 1.00 0.00 H new ATOM 1309 N PRO A 83 -10.626 7.943 -15.264 1.00 0.00 N ATOM 1310 CA PRO A 83 -9.517 8.843 -15.629 1.00 0.00 C ATOM 1311 C PRO A 83 -9.178 9.779 -14.466 1.00 0.00 C ATOM 1312 O PRO A 83 -8.269 10.582 -14.548 1.00 0.00 O ATOM 1313 CB PRO A 83 -10.070 9.629 -16.822 1.00 0.00 C ATOM 1314 CG PRO A 83 -11.612 9.550 -16.719 1.00 0.00 C ATOM 1315 CD PRO A 83 -11.932 8.330 -15.835 1.00 0.00 C ATOM 0 HA PRO A 83 -8.595 8.312 -15.865 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.731 10.665 -16.795 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.721 9.204 -17.763 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.018 10.462 -16.282 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.061 9.442 -17.706 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.649 8.582 -15.054 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.368 7.519 -16.418 1.00 0.00 H new ATOM 1323 N GLU A 84 -9.898 9.680 -13.382 1.00 0.00 N ATOM 1324 CA GLU A 84 -9.610 10.563 -12.216 1.00 0.00 C ATOM 1325 C GLU A 84 -8.332 10.087 -11.525 1.00 0.00 C ATOM 1326 O GLU A 84 -7.305 10.734 -11.582 1.00 0.00 O ATOM 1327 CB GLU A 84 -10.777 10.502 -11.228 1.00 0.00 C ATOM 1328 CG GLU A 84 -10.683 11.680 -10.255 1.00 0.00 C ATOM 1329 CD GLU A 84 -12.090 12.103 -9.827 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -12.647 11.446 -8.963 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -12.584 13.076 -10.370 1.00 0.00 O ATOM 0 H GLU A 84 -10.671 9.028 -13.253 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.480 11.589 -12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.725 10.535 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.754 9.560 -10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.095 11.398 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.169 12.516 -10.729 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.384 8.957 -10.876 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.171 8.437 -10.186 1.00 0.00 C ATOM 1340 C LEU A 85 -6.077 8.166 -11.222 1.00 0.00 C ATOM 1341 O LEU A 85 -4.917 8.020 -10.892 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.516 7.137 -9.457 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.838 7.121 -8.086 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.889 6.891 -6.999 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -5.806 5.992 -8.042 1.00 0.00 C ATOM 0 H LEU A 85 -9.215 8.371 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.817 9.174 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.596 7.049 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.188 6.280 -10.046 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.342 8.076 -7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.406 6.880 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.626 7.693 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.385 5.936 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.322 5.979 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.304 5.037 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.056 6.154 -8.816 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.440 8.100 -12.474 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.423 7.839 -13.532 1.00 0.00 C ATOM 1359 C GLU A 86 -4.573 9.094 -13.739 1.00 0.00 C ATOM 1360 O GLU A 86 -3.366 9.023 -13.866 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.128 7.478 -14.841 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.085 7.157 -15.912 1.00 0.00 C ATOM 1363 CD GLU A 86 -4.838 5.648 -15.947 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -5.352 4.963 -15.078 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -4.139 5.202 -16.842 1.00 0.00 O ATOM 0 H GLU A 86 -7.396 8.215 -12.810 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.783 7.012 -13.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.784 6.621 -14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.757 8.306 -15.168 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.430 7.502 -16.886 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.155 7.684 -15.698 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.191 10.242 -13.773 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.417 11.500 -13.969 1.00 0.00 C ATOM 1374 C ALA A 87 -3.368 11.626 -12.864 1.00 0.00 C ATOM 1375 O ALA A 87 -2.291 12.150 -13.071 1.00 0.00 O ATOM 1376 CB ALA A 87 -5.366 12.698 -13.912 1.00 0.00 C ATOM 0 H ALA A 87 -6.199 10.364 -13.674 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.923 11.477 -14.940 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.799 13.618 -14.055 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.115 12.607 -14.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.861 12.724 -12.941 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.672 11.149 -11.688 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.694 11.239 -10.569 1.00 0.00 C ATOM 1384 C VAL A 88 -2.034 9.876 -10.357 1.00 0.00 C ATOM 1385 O VAL A 88 -1.787 9.460 -9.242 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.419 11.657 -9.288 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.199 12.948 -9.538 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.390 10.549 -8.871 1.00 0.00 C ATOM 0 H VAL A 88 -4.558 10.700 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.932 11.979 -10.813 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.689 11.823 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.715 13.244 -8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.510 13.737 -9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.929 12.784 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.908 10.844 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.118 10.386 -9.665 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.836 9.628 -8.692 1.00 0.00 H new ATOM 1398 N SER A 89 -1.746 9.174 -11.419 1.00 0.00 N ATOM 1399 CA SER A 89 -1.105 7.837 -11.276 1.00 0.00 C ATOM 1400 C SER A 89 0.137 7.767 -12.167 1.00 0.00 C ATOM 1401 O SER A 89 0.042 7.653 -13.372 1.00 0.00 O ATOM 1402 CB SER A 89 -2.095 6.751 -11.693 1.00 0.00 C ATOM 1403 OG SER A 89 -1.475 5.479 -11.573 1.00 0.00 O ATOM 0 H SER A 89 -1.927 9.469 -12.379 1.00 0.00 H new ATOM 0 HA SER A 89 -0.814 7.683 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.986 6.795 -11.066 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.420 6.914 -12.720 1.00 0.00 H new ATOM 0 HG SER A 89 -0.791 5.381 -12.268 1.00 0.00 H new ATOM 1409 N SER A 90 1.300 7.836 -11.583 1.00 0.00 N ATOM 1410 CA SER A 90 2.547 7.773 -12.395 1.00 0.00 C ATOM 1411 C SER A 90 2.555 6.486 -13.223 1.00 0.00 C ATOM 1412 O SER A 90 2.961 6.476 -14.368 1.00 0.00 O ATOM 1413 CB SER A 90 3.761 7.786 -11.466 1.00 0.00 C ATOM 1414 OG SER A 90 4.181 9.129 -11.261 1.00 0.00 O ATOM 0 H SER A 90 1.441 7.933 -10.578 1.00 0.00 H new ATOM 0 HA SER A 90 2.588 8.634 -13.062 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.509 7.322 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.572 7.201 -11.900 1.00 0.00 H new ATOM 0 HG SER A 90 4.958 9.141 -10.664 1.00 0.00 H new ATOM 1420 N GLU A 91 2.110 5.400 -12.653 1.00 0.00 N ATOM 1421 CA GLU A 91 2.097 4.116 -13.409 1.00 0.00 C ATOM 1422 C GLU A 91 0.789 3.370 -13.129 1.00 0.00 C ATOM 1423 O GLU A 91 0.135 3.594 -12.131 1.00 0.00 O ATOM 1424 CB GLU A 91 3.279 3.253 -12.965 1.00 0.00 C ATOM 1425 CG GLU A 91 4.506 3.587 -13.817 1.00 0.00 C ATOM 1426 CD GLU A 91 5.181 4.847 -13.271 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.031 5.112 -12.089 1.00 0.00 O ATOM 1428 OE2 GLU A 91 5.836 5.526 -14.044 1.00 0.00 O ATOM 0 H GLU A 91 1.755 5.346 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 91 2.176 4.322 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.496 3.430 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.030 2.197 -13.066 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.207 2.753 -13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.210 3.741 -14.855 1.00 0.00 H new ATOM 1435 N VAL A 92 0.408 2.482 -14.008 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.853 1.715 -13.800 1.00 0.00 C ATOM 1437 C VAL A 92 -0.644 0.272 -14.262 1.00 0.00 C ATOM 1438 O VAL A 92 -0.110 0.024 -15.325 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.978 2.354 -14.615 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.410 3.664 -13.956 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.482 2.637 -16.035 1.00 0.00 C ATOM 0 H VAL A 92 0.917 2.255 -14.862 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.121 1.727 -12.743 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.827 1.672 -14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.212 4.117 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.765 3.463 -12.945 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.562 4.347 -13.913 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.284 3.093 -16.616 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.631 3.317 -15.994 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.177 1.703 -16.507 1.00 0.00 H new ATOM 1451 N VAL A 93 -1.057 -0.684 -13.476 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.872 -2.105 -13.885 1.00 0.00 C ATOM 1453 C VAL A 93 -2.112 -2.920 -13.510 1.00 0.00 C ATOM 1454 O VAL A 93 -2.982 -2.459 -12.798 1.00 0.00 O ATOM 1455 CB VAL A 93 0.353 -2.685 -13.174 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.566 -1.790 -13.437 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.090 -2.751 -11.667 1.00 0.00 C ATOM 0 H VAL A 93 -1.512 -0.544 -12.574 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.725 -2.151 -14.964 1.00 0.00 H new ATOM 0 HB VAL A 93 0.548 -3.688 -13.553 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.439 -2.202 -12.931 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.757 -1.742 -14.509 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.367 -0.787 -13.059 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.964 -3.164 -11.163 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.107 -1.748 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.774 -3.387 -11.476 1.00 0.00 H new ATOM 1467 N GLY A 94 -2.196 -4.131 -13.988 1.00 0.00 N ATOM 1468 CA GLY A 94 -3.374 -4.984 -13.663 1.00 0.00 C ATOM 1469 C GLY A 94 -2.959 -6.062 -12.663 1.00 0.00 C ATOM 1470 O GLY A 94 -2.143 -5.836 -11.794 1.00 0.00 O ATOM 0 H GLY A 94 -1.498 -4.567 -14.591 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.175 -4.374 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.765 -5.445 -14.570 1.00 0.00 H new ATOM 1474 N TRP A 95 -3.516 -7.234 -12.779 1.00 0.00 N ATOM 1475 CA TRP A 95 -3.154 -8.327 -11.834 1.00 0.00 C ATOM 1476 C TRP A 95 -2.021 -9.165 -12.430 1.00 0.00 C ATOM 1477 O TRP A 95 -2.074 -10.379 -12.440 1.00 0.00 O ATOM 1478 CB TRP A 95 -4.374 -9.217 -11.593 1.00 0.00 C ATOM 1479 CG TRP A 95 -5.320 -8.520 -10.669 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -6.107 -7.473 -11.007 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.592 -8.801 -9.265 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.845 -7.092 -9.901 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.563 -7.880 -8.803 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -5.095 -9.754 -8.357 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -7.025 -7.905 -7.486 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.558 -9.783 -7.030 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -6.520 -8.859 -6.597 1.00 0.00 C ATOM 0 H TRP A 95 -4.206 -7.483 -13.487 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.826 -7.895 -10.888 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.869 -9.439 -12.539 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.064 -10.170 -11.164 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.152 -7.010 -11.982 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.515 -6.323 -9.897 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.353 -10.468 -8.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.767 -7.193 -7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.171 -10.520 -6.341 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.871 -8.884 -5.576 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.997 -8.527 -12.925 1.00 0.00 N ATOM 1499 CA ASN A 96 0.140 -9.288 -13.518 1.00 0.00 C ATOM 1500 C ASN A 96 1.289 -9.353 -12.507 1.00 0.00 C ATOM 1501 O ASN A 96 1.495 -8.429 -11.746 1.00 0.00 O ATOM 1502 CB ASN A 96 0.619 -8.581 -14.788 1.00 0.00 C ATOM 1503 CG ASN A 96 0.020 -9.273 -16.013 1.00 0.00 C ATOM 1504 OD1 ASN A 96 0.496 -10.309 -16.434 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -1.012 -8.740 -16.608 1.00 0.00 N ATOM 0 H ASN A 96 -0.898 -7.512 -12.945 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.186 -10.298 -13.765 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.322 -7.533 -14.768 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.708 -8.603 -14.841 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.419 -9.193 -17.426 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.412 -7.871 -16.255 1.00 0.00 H new ATOM 1512 N PRO A 97 2.006 -10.448 -12.533 1.00 0.00 N ATOM 1513 CA PRO A 97 3.147 -10.670 -11.628 1.00 0.00 C ATOM 1514 C PRO A 97 4.376 -9.901 -12.123 1.00 0.00 C ATOM 1515 O PRO A 97 5.132 -9.353 -11.346 1.00 0.00 O ATOM 1516 CB PRO A 97 3.379 -12.181 -11.707 1.00 0.00 C ATOM 1517 CG PRO A 97 2.759 -12.649 -13.044 1.00 0.00 C ATOM 1518 CD PRO A 97 1.746 -11.566 -13.463 1.00 0.00 C ATOM 0 HA PRO A 97 2.963 -10.326 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.443 -12.413 -11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.913 -12.690 -10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.529 -12.774 -13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.267 -13.615 -12.926 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.892 -11.264 -14.500 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.720 -11.925 -13.377 1.00 0.00 H new ATOM 1526 N HIS A 98 4.583 -9.859 -13.411 1.00 0.00 N ATOM 1527 CA HIS A 98 5.764 -9.128 -13.953 1.00 0.00 C ATOM 1528 C HIS A 98 5.508 -7.621 -13.889 1.00 0.00 C ATOM 1529 O HIS A 98 6.427 -6.826 -13.871 1.00 0.00 O ATOM 1530 CB HIS A 98 5.998 -9.544 -15.406 1.00 0.00 C ATOM 1531 CG HIS A 98 6.977 -10.686 -15.450 1.00 0.00 C ATOM 1532 ND1 HIS A 98 7.354 -11.381 -14.311 1.00 0.00 N ATOM 1533 CD2 HIS A 98 7.664 -11.265 -16.488 1.00 0.00 C ATOM 1534 CE1 HIS A 98 8.230 -12.331 -14.688 1.00 0.00 C ATOM 1535 NE2 HIS A 98 8.454 -12.305 -16.004 1.00 0.00 N ATOM 0 H HIS A 98 3.986 -10.299 -14.111 1.00 0.00 H new ATOM 0 HA HIS A 98 6.645 -9.371 -13.358 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.056 -9.841 -15.867 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.381 -8.700 -15.980 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.601 -10.960 -17.522 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.695 -13.030 -14.008 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.071 -12.915 -16.540 1.00 0.00 H new ATOM 1543 N CYS A 99 4.265 -7.221 -13.856 1.00 0.00 N ATOM 1544 CA CYS A 99 3.952 -5.765 -13.796 1.00 0.00 C ATOM 1545 C CYS A 99 4.262 -5.230 -12.397 1.00 0.00 C ATOM 1546 O CYS A 99 4.353 -4.037 -12.184 1.00 0.00 O ATOM 1547 CB CYS A 99 2.470 -5.550 -14.107 1.00 0.00 C ATOM 1548 SG CYS A 99 2.294 -4.903 -15.787 1.00 0.00 S ATOM 0 H CYS A 99 3.454 -7.839 -13.868 1.00 0.00 H new ATOM 0 HA CYS A 99 4.559 -5.234 -14.529 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.927 -6.490 -14.009 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.034 -4.854 -13.390 1.00 0.00 H new ATOM 0 HG CYS A 99 1.034 -4.722 -16.053 1.00 0.00 H new ATOM 1554 N ILE A 100 4.426 -6.102 -11.440 1.00 0.00 N ATOM 1555 CA ILE A 100 4.731 -5.641 -10.056 1.00 0.00 C ATOM 1556 C ILE A 100 6.176 -5.144 -9.989 1.00 0.00 C ATOM 1557 O ILE A 100 6.474 -4.153 -9.351 1.00 0.00 O ATOM 1558 CB ILE A 100 4.549 -6.805 -9.080 1.00 0.00 C ATOM 1559 CG1 ILE A 100 3.139 -7.382 -9.232 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.742 -6.306 -7.647 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.115 -6.246 -9.210 1.00 0.00 C ATOM 0 H ILE A 100 4.362 -7.113 -11.557 1.00 0.00 H new ATOM 0 HA ILE A 100 4.055 -4.830 -9.787 1.00 0.00 H new ATOM 0 HB ILE A 100 5.285 -7.579 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.061 -7.937 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.934 -8.086 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.612 -7.136 -6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.745 -5.894 -7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.006 -5.532 -7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.112 -6.658 -9.318 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.187 -5.710 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.316 -5.559 -10.032 1.00 0.00 H new ATOM 1573 N ARG A 101 7.077 -5.826 -10.641 1.00 0.00 N ATOM 1574 CA ARG A 101 8.505 -5.396 -10.612 1.00 0.00 C ATOM 1575 C ARG A 101 8.701 -4.196 -11.543 1.00 0.00 C ATOM 1576 O ARG A 101 9.496 -3.317 -11.276 1.00 0.00 O ATOM 1577 CB ARG A 101 9.393 -6.551 -11.079 1.00 0.00 C ATOM 1578 CG ARG A 101 8.862 -7.869 -10.512 1.00 0.00 C ATOM 1579 CD ARG A 101 9.942 -8.947 -10.627 1.00 0.00 C ATOM 1580 NE ARG A 101 9.300 -10.270 -10.875 1.00 0.00 N ATOM 1581 CZ ARG A 101 9.969 -11.221 -11.470 1.00 0.00 C ATOM 1582 NH1 ARG A 101 11.249 -11.081 -11.692 1.00 0.00 N ATOM 1583 NH2 ARG A 101 9.359 -12.311 -11.844 1.00 0.00 N ATOM 0 H ARG A 101 6.887 -6.663 -11.193 1.00 0.00 H new ATOM 0 HA ARG A 101 8.776 -5.113 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.410 -6.593 -12.168 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.420 -6.390 -10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.573 -7.738 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.968 -8.176 -11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.627 -8.705 -11.440 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.533 -8.984 -9.712 1.00 0.00 H new ATOM 0 HE ARG A 101 8.337 -10.432 -10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.727 -10.228 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.770 -11.824 -12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.360 -12.421 -11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.881 -13.054 -12.309 1.00 0.00 H new ATOM 1597 N ASP A 102 7.988 -4.156 -12.634 1.00 0.00 N ATOM 1598 CA ASP A 102 8.141 -3.015 -13.581 1.00 0.00 C ATOM 1599 C ASP A 102 7.568 -1.743 -12.952 1.00 0.00 C ATOM 1600 O ASP A 102 8.037 -0.650 -13.202 1.00 0.00 O ATOM 1601 CB ASP A 102 7.392 -3.327 -14.879 1.00 0.00 C ATOM 1602 CG ASP A 102 8.381 -3.825 -15.933 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.386 -4.401 -15.549 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.119 -3.621 -17.108 1.00 0.00 O ATOM 0 H ASP A 102 7.307 -4.863 -12.911 1.00 0.00 H new ATOM 0 HA ASP A 102 9.198 -2.864 -13.798 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.627 -4.082 -14.697 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.880 -2.435 -15.239 1.00 0.00 H new ATOM 1609 N ALA A 103 6.557 -1.874 -12.138 1.00 0.00 N ATOM 1610 CA ALA A 103 5.954 -0.671 -11.495 1.00 0.00 C ATOM 1611 C ALA A 103 6.843 -0.198 -10.340 1.00 0.00 C ATOM 1612 O ALA A 103 7.104 0.979 -10.189 1.00 0.00 O ATOM 1613 CB ALA A 103 4.566 -1.024 -10.958 1.00 0.00 C ATOM 0 H ALA A 103 6.122 -2.762 -11.890 1.00 0.00 H new ATOM 0 HA ALA A 103 5.870 0.127 -12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.124 -0.146 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.931 -1.354 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.653 -1.824 -10.223 1.00 0.00 H new ATOM 1619 N LEU A 104 7.304 -1.105 -9.522 1.00 0.00 N ATOM 1620 CA LEU A 104 8.169 -0.706 -8.375 1.00 0.00 C ATOM 1621 C LEU A 104 9.496 -0.146 -8.894 1.00 0.00 C ATOM 1622 O LEU A 104 10.124 0.677 -8.257 1.00 0.00 O ATOM 1623 CB LEU A 104 8.444 -1.928 -7.496 1.00 0.00 C ATOM 1624 CG LEU A 104 7.460 -1.951 -6.324 1.00 0.00 C ATOM 1625 CD1 LEU A 104 6.452 -3.084 -6.524 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.229 -2.180 -5.020 1.00 0.00 C ATOM 0 H LEU A 104 7.119 -2.105 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 104 7.659 0.060 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.346 -2.841 -8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.468 -1.897 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 104 6.931 -0.999 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.752 -3.100 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.905 -2.925 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.980 -4.036 -6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.530 -2.197 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.757 -3.132 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.948 -1.374 -4.876 1.00 0.00 H new ATOM 1638 N GLU A 105 9.931 -0.589 -10.040 1.00 0.00 N ATOM 1639 CA GLU A 105 11.221 -0.088 -10.593 1.00 0.00 C ATOM 1640 C GLU A 105 11.098 1.399 -10.936 1.00 0.00 C ATOM 1641 O GLU A 105 12.081 2.105 -11.033 1.00 0.00 O ATOM 1642 CB GLU A 105 11.572 -0.875 -11.858 1.00 0.00 C ATOM 1643 CG GLU A 105 13.092 -0.913 -12.032 1.00 0.00 C ATOM 1644 CD GLU A 105 13.702 -1.849 -10.988 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.677 -1.498 -9.819 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.187 -2.900 -11.374 1.00 0.00 O ATOM 0 H GLU A 105 9.449 -1.277 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 105 12.006 -0.220 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.178 -1.889 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.107 -0.411 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.345 -1.256 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.506 0.089 -11.923 1.00 0.00 H new ATOM 1653 N ASP A 106 9.900 1.882 -11.122 1.00 0.00 N ATOM 1654 CA ASP A 106 9.723 3.323 -11.460 1.00 0.00 C ATOM 1655 C ASP A 106 10.227 4.187 -10.302 1.00 0.00 C ATOM 1656 O ASP A 106 10.690 5.294 -10.496 1.00 0.00 O ATOM 1657 CB ASP A 106 8.241 3.615 -11.706 1.00 0.00 C ATOM 1658 CG ASP A 106 8.103 4.654 -12.819 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.494 4.352 -13.935 1.00 0.00 O ATOM 1660 OD2 ASP A 106 7.608 5.733 -12.539 1.00 0.00 O ATOM 0 H ASP A 106 9.037 1.342 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 106 10.292 3.554 -12.360 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.720 2.698 -11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.775 3.982 -10.792 1.00 0.00 H new ATOM 1665 N ALA A 107 10.136 3.694 -9.097 1.00 0.00 N ATOM 1666 CA ALA A 107 10.606 4.488 -7.928 1.00 0.00 C ATOM 1667 C ALA A 107 12.135 4.561 -7.939 1.00 0.00 C ATOM 1668 O ALA A 107 12.715 5.622 -7.814 1.00 0.00 O ATOM 1669 CB ALA A 107 10.136 3.818 -6.635 1.00 0.00 C ATOM 0 H ALA A 107 9.756 2.775 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 107 10.195 5.496 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 107 10.480 4.398 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 107 9.047 3.768 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.546 2.810 -6.578 1.00 0.00 H new ATOM 1675 N LEU A 108 12.793 3.445 -8.086 1.00 0.00 N ATOM 1676 CA LEU A 108 14.284 3.456 -8.103 1.00 0.00 C ATOM 1677 C LEU A 108 14.771 4.366 -9.231 1.00 0.00 C ATOM 1678 O LEU A 108 15.573 5.255 -9.020 1.00 0.00 O ATOM 1679 CB LEU A 108 14.804 2.033 -8.332 1.00 0.00 C ATOM 1680 CG LEU A 108 15.871 1.704 -7.287 1.00 0.00 C ATOM 1681 CD1 LEU A 108 15.240 1.700 -5.893 1.00 0.00 C ATOM 1682 CD2 LEU A 108 16.462 0.323 -7.580 1.00 0.00 C ATOM 0 H LEU A 108 12.364 2.526 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 108 14.657 3.828 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.983 1.319 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.223 1.945 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 108 16.660 2.455 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.002 1.465 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.817 2.682 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.451 0.949 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.223 0.087 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.672 -0.427 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.913 0.323 -8.572 1.00 0.00 H new ATOM 1694 N ASP A 109 14.292 4.154 -10.426 1.00 0.00 N ATOM 1695 CA ASP A 109 14.725 5.007 -11.567 1.00 0.00 C ATOM 1696 C ASP A 109 16.238 4.867 -11.768 1.00 0.00 C ATOM 1697 O ASP A 109 16.702 3.953 -12.420 1.00 0.00 O ATOM 1698 CB ASP A 109 14.377 6.469 -11.272 1.00 0.00 C ATOM 1699 CG ASP A 109 12.968 6.771 -11.784 1.00 0.00 C ATOM 1700 OD1 ASP A 109 12.729 6.559 -12.961 1.00 0.00 O ATOM 1701 OD2 ASP A 109 12.151 7.209 -10.990 1.00 0.00 O ATOM 0 H ASP A 109 13.618 3.425 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 109 14.211 4.689 -12.474 1.00 0.00 H new ATOM 0 HB2 ASP A 109 14.434 6.658 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 109 15.099 7.130 -11.752 1.00 0.00 H new ATOM 1706 N VAL A 110 17.011 5.762 -11.214 1.00 0.00 N ATOM 1707 CA VAL A 110 18.491 5.670 -11.381 1.00 0.00 C ATOM 1708 C VAL A 110 19.041 4.591 -10.447 1.00 0.00 C ATOM 1709 O VAL A 110 18.391 4.179 -9.507 1.00 0.00 O ATOM 1710 CB VAL A 110 19.135 7.017 -11.044 1.00 0.00 C ATOM 1711 CG1 VAL A 110 18.967 7.973 -12.224 1.00 0.00 C ATOM 1712 CG2 VAL A 110 18.463 7.614 -9.806 1.00 0.00 C ATOM 0 H VAL A 110 16.684 6.550 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 110 18.723 5.411 -12.414 1.00 0.00 H new ATOM 0 HB VAL A 110 20.196 6.868 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 110 19.426 8.932 -11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 110 19.449 7.551 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 110 17.906 8.119 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 110 18.924 8.573 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 110 17.401 7.761 -10.003 1.00 0.00 H new ATOM 0 HG23 VAL A 110 18.585 6.934 -8.963 1.00 0.00 H new ATOM 1722 N ILE A 111 20.234 4.128 -10.699 1.00 0.00 N ATOM 1723 CA ILE A 111 20.825 3.073 -9.828 1.00 0.00 C ATOM 1724 C ILE A 111 21.848 3.704 -8.880 1.00 0.00 C ATOM 1725 O ILE A 111 22.338 2.998 -8.015 1.00 0.00 O ATOM 1726 CB ILE A 111 21.515 2.024 -10.700 1.00 0.00 C ATOM 1727 CG1 ILE A 111 22.338 2.726 -11.782 1.00 0.00 C ATOM 1728 CG2 ILE A 111 20.464 1.132 -11.360 1.00 0.00 C ATOM 1729 CD1 ILE A 111 23.204 1.699 -12.513 1.00 0.00 C ATOM 1730 OXT ILE A 111 22.124 4.882 -9.037 1.00 0.00 O ATOM 0 H ILE A 111 20.826 4.435 -11.471 1.00 0.00 H new ATOM 0 HA ILE A 111 20.036 2.600 -9.244 1.00 0.00 H new ATOM 0 HB ILE A 111 22.170 1.412 -10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 111 21.677 3.228 -12.488 1.00 0.00 H new ATOM 0 HG13 ILE A 111 22.968 3.494 -11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 111 20.959 0.385 -11.981 1.00 0.00 H new ATOM 0 HG22 ILE A 111 19.876 0.632 -10.590 1.00 0.00 H new ATOM 0 HG23 ILE A 111 19.807 1.742 -11.980 1.00 0.00 H new ATOM 0 HD11 ILE A 111 23.790 2.200 -13.284 1.00 0.00 H new ATOM 0 HD12 ILE A 111 23.875 1.217 -11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 111 22.565 0.947 -12.975 1.00 0.00 H new TER 1742 ILE A 111