USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 642 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 94 GLN : amide:sc= -0.111 X(o=-2.4,f=-2.6) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.28! C(o=-2.4!,f=-9.2!) USER MOD Set 2.1: A 43 ASN : amide:sc= -5.36! C(o=-2.4!,f=-7!) USER MOD Set 2.2: A 58 SER OG : rot 77:sc= 0.757 USER MOD Set 2.3: A 59 SER OG : rot 67:sc= 2.21 USER MOD Set 3.1: A 39 THR OG1 : rot -82:sc= 1.52 USER MOD Set 3.2: A 40 CYS SG : rot 46:sc= 0.484 USER MOD Set 4.1: A 14 ASN : amide:sc= 1.08 K(o=3.1,f=1) USER MOD Set 4.2: A 18 THR OG1 : rot -27:sc= 2.06 USER MOD Set 5.1: A 7 SER OG : rot 4:sc= 1.4 USER MOD Set 5.2: A 23 CYS SG : rot -24:sc= -1.8! USER MOD Single : A 2 SER OG : rot 36:sc= -0.532 USER MOD Single : A 3 TYR OH : rot 15:sc= 0.3 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.675 K(o=0.67,f=-0.71) USER MOD Single : A 13 THR OG1 : rot 169:sc= -0.208 USER MOD Single : A 25 ASN : amide:sc= 0.304 K(o=0.3,f=-9.7!) USER MOD Single : A 29 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 131:sc= 1.24 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 52 MET CE :methyl 180:sc= -0.0311 (180deg=-0.0311) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00353 F(o=-0.91,f=-0.0035) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 56 SER OG : rot -45:sc= 0.362 USER MOD Single : A 57 HIS : no HD1:sc=-0.00294 X(o=-0.0029,f=-0.005) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= 0.776 (180deg=-0.272) USER MOD Single : A 72 THR OG1 : rot 30:sc= 0.649 USER MOD Single : A 73 CYS SG : rot 180:sc= -2.11! USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.773) USER MOD Single : A 77 THR OG1 : rot 34:sc= 0.0188 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.78 F(o=-6.7!,f=-2.8) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0702 F(o=-2.3!,f=-0.07) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.205 F(o=-3.2!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.533 12.700 -1.099 1.00 0.00 N ATOM 17 CA SER A 2 2.729 11.476 -0.344 1.00 0.00 C ATOM 18 C SER A 2 4.204 11.086 -0.354 1.00 0.00 C ATOM 19 O SER A 2 5.026 11.800 -0.921 1.00 0.00 O ATOM 20 CB SER A 2 1.877 10.354 -0.930 1.00 0.00 C ATOM 21 OG SER A 2 0.516 10.738 -1.010 1.00 0.00 O ATOM 0 HA SER A 2 2.419 11.643 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.244 10.095 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.971 9.461 -0.312 1.00 0.00 H new ATOM 0 HG SER A 2 0.457 11.690 -1.234 1.00 0.00 H new ATOM 26 N TYR A 3 4.544 9.974 0.286 1.00 0.00 N ATOM 27 CA TYR A 3 5.933 9.520 0.342 1.00 0.00 C ATOM 28 C TYR A 3 6.543 9.380 -1.056 1.00 0.00 C ATOM 29 O TYR A 3 7.685 9.776 -1.279 1.00 0.00 O ATOM 30 CB TYR A 3 6.032 8.185 1.089 1.00 0.00 C ATOM 31 CG TYR A 3 5.550 6.985 0.297 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.198 6.785 0.055 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.452 6.059 -0.218 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.756 5.699 -0.673 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.016 4.970 -0.948 1.00 0.00 C ATOM 36 CZ TYR A 3 4.669 4.797 -1.174 1.00 0.00 C ATOM 37 OH TYR A 3 4.233 3.712 -1.895 1.00 0.00 O ATOM 0 H TYR A 3 3.882 9.370 0.773 1.00 0.00 H new ATOM 0 HA TYR A 3 6.500 10.279 0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.070 8.021 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.452 8.254 2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.479 7.492 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.509 6.194 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.700 5.557 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.728 4.258 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 3 3.300 3.850 -2.162 1.00 0.00 H new ATOM 46 N ALA A 4 5.759 8.852 -1.996 1.00 0.00 N ATOM 47 CA ALA A 4 6.218 8.628 -3.365 1.00 0.00 C ATOM 48 C ALA A 4 6.602 9.926 -4.070 1.00 0.00 C ATOM 49 O ALA A 4 7.318 9.902 -5.069 1.00 0.00 O ATOM 50 CB ALA A 4 5.158 7.883 -4.163 1.00 0.00 C ATOM 0 H ALA A 4 4.793 8.569 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 4 7.119 8.018 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.514 7.723 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.959 6.920 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.241 8.471 -4.188 1.00 0.00 H new ATOM 56 N ASP A 5 6.136 11.058 -3.547 1.00 0.00 N ATOM 57 CA ASP A 5 6.445 12.353 -4.131 1.00 0.00 C ATOM 58 C ASP A 5 7.941 12.640 -4.038 1.00 0.00 C ATOM 59 O ASP A 5 8.482 13.462 -4.777 1.00 0.00 O ATOM 60 CB ASP A 5 5.666 13.452 -3.416 1.00 0.00 C ATOM 61 CG ASP A 5 4.273 13.640 -3.970 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.392 12.801 -3.689 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.049 14.629 -4.692 1.00 0.00 O ATOM 0 H ASP A 5 5.542 11.100 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 5 6.155 12.333 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.600 13.212 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.214 14.391 -3.497 1.00 0.00 H new ATOM 67 N SER A 6 8.592 11.971 -3.097 1.00 0.00 N ATOM 68 CA SER A 6 10.023 12.112 -2.887 1.00 0.00 C ATOM 69 C SER A 6 10.622 10.745 -2.562 1.00 0.00 C ATOM 70 O SER A 6 11.498 10.608 -1.706 1.00 0.00 O ATOM 71 CB SER A 6 10.297 13.113 -1.765 1.00 0.00 C ATOM 72 OG SER A 6 9.744 14.381 -2.082 1.00 0.00 O ATOM 0 H SER A 6 8.142 11.316 -2.458 1.00 0.00 H new ATOM 0 HA SER A 6 10.491 12.493 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.870 12.747 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.372 13.207 -1.609 1.00 0.00 H new ATOM 0 HG SER A 6 9.927 15.009 -1.353 1.00 0.00 H new ATOM 77 N SER A 7 10.119 9.737 -3.255 1.00 0.00 N ATOM 78 CA SER A 7 10.568 8.371 -3.083 1.00 0.00 C ATOM 79 C SER A 7 10.511 7.665 -4.431 1.00 0.00 C ATOM 80 O SER A 7 9.742 8.065 -5.307 1.00 0.00 O ATOM 81 CB SER A 7 9.690 7.649 -2.055 1.00 0.00 C ATOM 82 OG SER A 7 10.240 6.398 -1.682 1.00 0.00 O ATOM 0 H SER A 7 9.385 9.847 -3.955 1.00 0.00 H new ATOM 0 HA SER A 7 11.593 8.361 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.577 8.275 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.693 7.499 -2.469 1.00 0.00 H new ATOM 0 HG SER A 7 11.112 6.282 -2.114 1.00 0.00 H new ATOM 87 N ARG A 8 11.324 6.637 -4.606 1.00 0.00 N ATOM 88 CA ARG A 8 11.354 5.909 -5.868 1.00 0.00 C ATOM 89 C ARG A 8 11.497 4.412 -5.638 1.00 0.00 C ATOM 90 O ARG A 8 11.861 3.974 -4.543 1.00 0.00 O ATOM 91 CB ARG A 8 12.515 6.402 -6.736 1.00 0.00 C ATOM 92 CG ARG A 8 13.883 6.060 -6.178 1.00 0.00 C ATOM 93 CD ARG A 8 14.984 6.475 -7.131 1.00 0.00 C ATOM 94 NE ARG A 8 16.293 6.021 -6.676 1.00 0.00 N ATOM 95 CZ ARG A 8 17.426 6.689 -6.891 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.406 7.846 -7.545 1.00 0.00 N ATOM 97 NH2 ARG A 8 18.580 6.204 -6.456 1.00 0.00 N ATOM 0 H ARG A 8 11.969 6.288 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 8 10.409 6.094 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.421 5.970 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.439 7.483 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.022 6.559 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.945 4.988 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.781 6.066 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.990 7.561 -7.229 1.00 0.00 H new ATOM 0 HE ARG A 8 16.344 5.141 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.522 8.225 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.275 8.355 -7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.603 5.316 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.445 6.719 -6.623 1.00 0.00 H new ATOM 108 N ASN A 9 11.205 3.644 -6.687 1.00 0.00 N ATOM 109 CA ASN A 9 11.309 2.186 -6.657 1.00 0.00 C ATOM 110 C ASN A 9 10.442 1.583 -5.562 1.00 0.00 C ATOM 111 O ASN A 9 10.912 0.787 -4.750 1.00 0.00 O ATOM 112 CB ASN A 9 12.768 1.759 -6.468 1.00 0.00 C ATOM 113 CG ASN A 9 13.627 2.083 -7.672 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.173 2.001 -8.814 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.864 2.480 -7.425 1.00 0.00 N ATOM 0 H ASN A 9 10.889 4.016 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 9 10.947 1.811 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.178 2.256 -5.589 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.808 0.687 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.482 2.733 -8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.200 2.534 -6.463 1.00 0.00 H new ATOM 121 N ALA A 10 9.175 1.967 -5.542 1.00 0.00 N ATOM 122 CA ALA A 10 8.249 1.450 -4.551 1.00 0.00 C ATOM 123 C ALA A 10 7.724 0.090 -4.982 1.00 0.00 C ATOM 124 O ALA A 10 7.069 -0.036 -6.021 1.00 0.00 O ATOM 125 CB ALA A 10 7.099 2.421 -4.330 1.00 0.00 C ATOM 0 H ALA A 10 8.767 2.632 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 10 8.782 1.335 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.417 2.014 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.491 3.376 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.563 2.570 -5.268 1.00 0.00 H new ATOM 131 N VAL A 11 8.024 -0.921 -4.186 1.00 0.00 N ATOM 132 CA VAL A 11 7.595 -2.279 -4.465 1.00 0.00 C ATOM 133 C VAL A 11 6.709 -2.796 -3.340 1.00 0.00 C ATOM 134 O VAL A 11 6.605 -2.172 -2.280 1.00 0.00 O ATOM 135 CB VAL A 11 8.797 -3.234 -4.649 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.624 -2.829 -5.860 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.664 -3.270 -3.399 1.00 0.00 C ATOM 0 H VAL A 11 8.570 -0.824 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 11 7.031 -2.254 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 11 8.405 -4.237 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.465 -3.514 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.003 -2.868 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.998 -1.814 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.502 -3.949 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.043 -2.270 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.070 -3.617 -2.554 1.00 0.00 H new ATOM 147 N LEU A 12 6.088 -3.939 -3.573 1.00 0.00 N ATOM 148 CA LEU A 12 5.203 -4.542 -2.592 1.00 0.00 C ATOM 149 C LEU A 12 5.890 -5.728 -1.940 1.00 0.00 C ATOM 150 O LEU A 12 6.194 -6.720 -2.600 1.00 0.00 O ATOM 151 CB LEU A 12 3.890 -5.003 -3.249 1.00 0.00 C ATOM 152 CG LEU A 12 2.943 -3.895 -3.727 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.734 -2.861 -2.632 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.455 -3.247 -5.006 1.00 0.00 C ATOM 0 H LEU A 12 6.181 -4.471 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 12 4.968 -3.793 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.138 -5.633 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.352 -5.629 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 12 1.978 -4.348 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.059 -2.083 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.300 -3.342 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.692 -2.415 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.763 -2.466 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.437 -2.810 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.532 -4.000 -5.790 1.00 0.00 H new ATOM 165 N THR A 13 6.143 -5.621 -0.649 1.00 0.00 N ATOM 166 CA THR A 13 6.807 -6.685 0.081 1.00 0.00 C ATOM 167 C THR A 13 5.867 -7.356 1.080 1.00 0.00 C ATOM 168 O THR A 13 4.743 -6.884 1.321 1.00 0.00 O ATOM 169 CB THR A 13 8.057 -6.157 0.815 1.00 0.00 C ATOM 170 OG1 THR A 13 7.730 -4.979 1.567 1.00 0.00 O ATOM 171 CG2 THR A 13 9.171 -5.844 -0.171 1.00 0.00 C ATOM 0 H THR A 13 5.899 -4.808 -0.084 1.00 0.00 H new ATOM 0 HA THR A 13 7.115 -7.430 -0.653 1.00 0.00 H new ATOM 0 HB THR A 13 8.404 -6.934 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.473 -4.757 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.042 -5.473 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.440 -6.749 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.831 -5.085 -0.875 1.00 0.00 H new ATOM 179 N ASN A 14 6.330 -8.477 1.633 1.00 0.00 N ATOM 180 CA ASN A 14 5.583 -9.250 2.622 1.00 0.00 C ATOM 181 C ASN A 14 4.275 -9.803 2.066 1.00 0.00 C ATOM 182 O ASN A 14 3.326 -10.037 2.814 1.00 0.00 O ATOM 183 CB ASN A 14 5.321 -8.406 3.871 1.00 0.00 C ATOM 184 CG ASN A 14 6.570 -8.237 4.715 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.396 -9.146 4.809 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.724 -7.073 5.323 1.00 0.00 N ATOM 0 H ASN A 14 7.241 -8.876 1.405 1.00 0.00 H new ATOM 0 HA ASN A 14 6.201 -10.107 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.949 -7.426 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.540 -8.876 4.469 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.551 -6.902 5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.016 -6.346 5.219 1.00 0.00 H new ATOM 192 N GLY A 15 4.228 -10.017 0.758 1.00 0.00 N ATOM 193 CA GLY A 15 3.034 -10.556 0.136 1.00 0.00 C ATOM 194 C GLY A 15 2.214 -9.492 -0.557 1.00 0.00 C ATOM 195 O GLY A 15 1.334 -9.798 -1.361 1.00 0.00 O ATOM 0 H GLY A 15 4.997 -9.827 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.318 -11.320 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.423 -11.046 0.894 1.00 0.00 H new ATOM 199 N GLY A 16 2.520 -8.241 -0.256 1.00 0.00 N ATOM 200 CA GLY A 16 1.806 -7.134 -0.845 1.00 0.00 C ATOM 201 C GLY A 16 1.077 -6.338 0.202 1.00 0.00 C ATOM 202 O GLY A 16 -0.074 -5.948 0.024 1.00 0.00 O ATOM 0 H GLY A 16 3.259 -7.972 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.505 -6.488 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.095 -7.507 -1.582 1.00 0.00 H new ATOM 206 N ARG A 17 1.758 -6.102 1.306 1.00 0.00 N ATOM 207 CA ARG A 17 1.182 -5.359 2.409 1.00 0.00 C ATOM 208 C ARG A 17 2.117 -4.257 2.879 1.00 0.00 C ATOM 209 O ARG A 17 1.676 -3.218 3.375 1.00 0.00 O ATOM 210 CB ARG A 17 0.867 -6.298 3.570 1.00 0.00 C ATOM 211 CG ARG A 17 1.975 -7.289 3.879 1.00 0.00 C ATOM 212 CD ARG A 17 1.619 -8.173 5.061 1.00 0.00 C ATOM 213 NE ARG A 17 1.478 -7.406 6.296 1.00 0.00 N ATOM 214 CZ ARG A 17 1.242 -7.945 7.490 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.155 -9.265 7.626 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.100 -7.161 8.551 1.00 0.00 N ATOM 0 H ARG A 17 2.716 -6.416 1.463 1.00 0.00 H new ATOM 0 HA ARG A 17 0.260 -4.898 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.666 -5.703 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.046 -6.848 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.164 -7.910 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.898 -6.749 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.687 -8.699 4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.391 -8.932 5.192 1.00 0.00 H new ATOM 0 HE ARG A 17 1.566 -6.391 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.269 -9.870 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.974 -9.672 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.172 -6.149 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.919 -7.571 9.467 1.00 0.00 H new ATOM 227 N THR A 18 3.407 -4.482 2.723 1.00 0.00 N ATOM 228 CA THR A 18 4.394 -3.516 3.137 1.00 0.00 C ATOM 229 C THR A 18 4.967 -2.789 1.927 1.00 0.00 C ATOM 230 O THR A 18 5.245 -3.401 0.894 1.00 0.00 O ATOM 231 CB THR A 18 5.520 -4.211 3.920 1.00 0.00 C ATOM 232 OG1 THR A 18 4.949 -5.098 4.897 1.00 0.00 O ATOM 233 CG2 THR A 18 6.415 -3.200 4.616 1.00 0.00 C ATOM 0 H THR A 18 3.793 -5.331 2.310 1.00 0.00 H new ATOM 0 HA THR A 18 3.913 -2.784 3.786 1.00 0.00 H new ATOM 0 HB THR A 18 6.128 -4.775 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.063 -4.770 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.201 -3.724 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.865 -2.541 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.822 -2.609 5.314 1.00 0.00 H new ATOM 241 N LEU A 19 5.104 -1.482 2.055 1.00 0.00 N ATOM 242 CA LEU A 19 5.643 -0.654 0.988 1.00 0.00 C ATOM 243 C LEU A 19 7.136 -0.475 1.163 1.00 0.00 C ATOM 244 O LEU A 19 7.578 0.080 2.168 1.00 0.00 O ATOM 245 CB LEU A 19 4.978 0.722 0.986 1.00 0.00 C ATOM 246 CG LEU A 19 3.503 0.742 0.604 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.963 2.160 0.679 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.306 0.177 -0.791 1.00 0.00 C ATOM 0 H LEU A 19 4.847 -0.965 2.896 1.00 0.00 H new ATOM 0 HA LEU A 19 5.442 -1.155 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.083 1.157 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.522 1.367 0.296 1.00 0.00 H new ATOM 0 HG LEU A 19 2.953 0.118 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.908 2.163 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.074 2.538 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.519 2.798 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.247 0.199 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.865 0.777 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.665 -0.852 -0.821 1.00 0.00 H new ATOM 259 N ARG A 20 7.908 -0.952 0.202 1.00 0.00 N ATOM 260 CA ARG A 20 9.351 -0.809 0.258 1.00 0.00 C ATOM 261 C ARG A 20 9.814 0.106 -0.867 1.00 0.00 C ATOM 262 O ARG A 20 9.593 -0.187 -2.040 1.00 0.00 O ATOM 263 CB ARG A 20 10.028 -2.178 0.151 1.00 0.00 C ATOM 264 CG ARG A 20 11.544 -2.113 0.223 1.00 0.00 C ATOM 265 CD ARG A 20 12.157 -3.497 0.345 1.00 0.00 C ATOM 266 NE ARG A 20 13.616 -3.456 0.262 1.00 0.00 N ATOM 267 CZ ARG A 20 14.430 -3.533 1.317 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.937 -3.648 2.544 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.744 -3.492 1.145 1.00 0.00 N ATOM 0 H ARG A 20 7.561 -1.440 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 20 9.631 -0.367 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.662 -2.819 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.737 -2.646 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.931 -1.620 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.843 -1.505 1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.860 -3.943 1.294 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.766 -4.138 -0.445 1.00 0.00 H new ATOM 0 HE ARG A 20 14.039 -3.363 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.928 -3.678 2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.568 -3.706 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.133 -3.402 0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.366 -3.551 1.951 1.00 0.00 H new ATOM 280 N ALA A 21 10.448 1.212 -0.509 1.00 0.00 N ATOM 281 CA ALA A 21 10.916 2.172 -1.499 1.00 0.00 C ATOM 282 C ALA A 21 12.105 2.968 -0.983 1.00 0.00 C ATOM 283 O ALA A 21 12.421 2.935 0.210 1.00 0.00 O ATOM 284 CB ALA A 21 9.787 3.121 -1.868 1.00 0.00 C ATOM 0 H ALA A 21 10.650 1.468 0.458 1.00 0.00 H new ATOM 0 HA ALA A 21 11.237 1.617 -2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.142 3.838 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.955 2.552 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.454 3.654 -0.978 1.00 0.00 H new ATOM 290 N GLU A 22 12.765 3.672 -1.894 1.00 0.00 N ATOM 291 CA GLU A 22 13.889 4.518 -1.538 1.00 0.00 C ATOM 292 C GLU A 22 13.341 5.900 -1.245 1.00 0.00 C ATOM 293 O GLU A 22 12.879 6.589 -2.153 1.00 0.00 O ATOM 294 CB GLU A 22 14.914 4.592 -2.678 1.00 0.00 C ATOM 295 CG GLU A 22 15.351 3.233 -3.196 1.00 0.00 C ATOM 296 CD GLU A 22 16.549 3.323 -4.117 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.370 3.591 -5.326 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.681 3.124 -3.630 1.00 0.00 O ATOM 0 H GLU A 22 12.537 3.671 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 22 14.401 4.105 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.487 5.165 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.791 5.138 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.593 2.587 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.522 2.766 -3.728 1.00 0.00 H new ATOM 303 N CYS A 23 13.351 6.295 0.013 1.00 0.00 N ATOM 304 CA CYS A 23 12.811 7.584 0.397 1.00 0.00 C ATOM 305 C CYS A 23 13.913 8.609 0.587 1.00 0.00 C ATOM 306 O CYS A 23 14.953 8.316 1.171 1.00 0.00 O ATOM 307 CB CYS A 23 11.992 7.440 1.677 1.00 0.00 C ATOM 308 SG CYS A 23 10.627 6.262 1.538 1.00 0.00 S ATOM 0 H CYS A 23 13.726 5.743 0.785 1.00 0.00 H new ATOM 0 HA CYS A 23 12.165 7.938 -0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.651 7.125 2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.592 8.415 1.953 1.00 0.00 H new ATOM 0 HG CYS A 23 10.280 6.145 0.291 1.00 0.00 H new ATOM 313 N ARG A 24 13.693 9.801 0.059 1.00 0.00 N ATOM 314 CA ARG A 24 14.651 10.873 0.178 1.00 0.00 C ATOM 315 C ARG A 24 14.532 11.528 1.548 1.00 0.00 C ATOM 316 O ARG A 24 13.494 12.097 1.885 1.00 0.00 O ATOM 317 CB ARG A 24 14.393 11.886 -0.930 1.00 0.00 C ATOM 318 CG ARG A 24 15.624 12.648 -1.362 1.00 0.00 C ATOM 319 CD ARG A 24 15.457 13.169 -2.774 1.00 0.00 C ATOM 320 NE ARG A 24 14.487 14.262 -2.864 1.00 0.00 N ATOM 321 CZ ARG A 24 14.290 14.986 -3.965 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.007 14.749 -5.058 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.378 15.950 -3.975 1.00 0.00 N ATOM 0 H ARG A 24 12.850 10.046 -0.460 1.00 0.00 H new ATOM 0 HA ARG A 24 15.664 10.482 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.977 11.367 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.639 12.596 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.802 13.479 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.498 11.999 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.422 13.514 -3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.139 12.353 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 24 13.931 14.481 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.711 14.011 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.854 15.305 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.826 16.138 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.229 16.503 -4.819 1.00 0.00 H new ATOM 334 N ASN A 25 15.584 11.418 2.347 1.00 0.00 N ATOM 335 CA ASN A 25 15.583 12.003 3.678 1.00 0.00 C ATOM 336 C ASN A 25 15.882 13.494 3.613 1.00 0.00 C ATOM 337 O ASN A 25 16.331 13.988 2.572 1.00 0.00 O ATOM 338 CB ASN A 25 16.573 11.291 4.619 1.00 0.00 C ATOM 339 CG ASN A 25 18.018 11.331 4.148 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.450 12.268 3.482 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.782 10.314 4.511 1.00 0.00 N ATOM 0 H ASN A 25 16.445 10.931 2.097 1.00 0.00 H new ATOM 0 HA ASN A 25 14.584 11.866 4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.512 11.748 5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.267 10.251 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.764 10.291 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.389 9.553 5.064 1.00 0.00 H new ATOM 347 N ALA A 26 15.660 14.189 4.726 1.00 0.00 N ATOM 348 CA ALA A 26 15.877 15.636 4.814 1.00 0.00 C ATOM 349 C ALA A 26 17.268 16.057 4.341 1.00 0.00 C ATOM 350 O ALA A 26 17.439 17.141 3.776 1.00 0.00 O ATOM 351 CB ALA A 26 15.656 16.100 6.244 1.00 0.00 C ATOM 0 H ALA A 26 15.325 13.768 5.593 1.00 0.00 H new ATOM 0 HA ALA A 26 15.157 16.110 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.818 17.176 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.635 15.868 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.356 15.589 6.905 1.00 0.00 H new ATOM 357 N ASP A 27 18.251 15.192 4.551 1.00 0.00 N ATOM 358 CA ASP A 27 19.629 15.480 4.159 1.00 0.00 C ATOM 359 C ASP A 27 19.786 15.440 2.639 1.00 0.00 C ATOM 360 O ASP A 27 20.782 15.906 2.087 1.00 0.00 O ATOM 361 CB ASP A 27 20.578 14.479 4.825 1.00 0.00 C ATOM 362 CG ASP A 27 22.037 14.760 4.528 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.582 15.752 5.066 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.649 13.993 3.760 1.00 0.00 O ATOM 0 H ASP A 27 18.122 14.281 4.992 1.00 0.00 H new ATOM 0 HA ASP A 27 19.882 16.486 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.422 14.501 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.331 13.472 4.487 1.00 0.00 H new ATOM 368 N GLY A 28 18.782 14.899 1.969 1.00 0.00 N ATOM 369 CA GLY A 28 18.814 14.807 0.526 1.00 0.00 C ATOM 370 C GLY A 28 19.431 13.511 0.065 1.00 0.00 C ATOM 371 O GLY A 28 20.034 13.441 -1.006 1.00 0.00 O ATOM 0 H GLY A 28 17.940 14.520 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.800 14.888 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.381 15.645 0.120 1.00 0.00 H new ATOM 375 N ASN A 29 19.296 12.478 0.881 1.00 0.00 N ATOM 376 CA ASN A 29 19.853 11.176 0.560 1.00 0.00 C ATOM 377 C ASN A 29 18.759 10.123 0.487 1.00 0.00 C ATOM 378 O ASN A 29 17.685 10.297 1.055 1.00 0.00 O ATOM 379 CB ASN A 29 20.884 10.782 1.611 1.00 0.00 C ATOM 380 CG ASN A 29 22.304 11.047 1.163 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.914 10.230 0.471 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.852 12.173 1.580 1.00 0.00 N ATOM 0 H ASN A 29 18.804 12.517 1.773 1.00 0.00 H new ATOM 0 HA ASN A 29 20.336 11.238 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.688 11.334 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.773 9.723 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.816 12.394 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.311 12.822 2.151 1.00 0.00 H new ATOM 388 N TRP A 30 19.031 9.034 -0.217 1.00 0.00 N ATOM 389 CA TRP A 30 18.059 7.958 -0.357 1.00 0.00 C ATOM 390 C TRP A 30 18.215 6.924 0.746 1.00 0.00 C ATOM 391 O TRP A 30 19.324 6.468 1.030 1.00 0.00 O ATOM 392 CB TRP A 30 18.200 7.259 -1.708 1.00 0.00 C ATOM 393 CG TRP A 30 17.847 8.115 -2.881 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.698 8.581 -3.837 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.547 8.606 -3.227 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.004 9.316 -4.762 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.684 9.351 -4.408 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.280 8.484 -2.657 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.605 9.974 -5.028 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.210 9.102 -3.273 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.376 9.839 -4.448 1.00 0.00 C ATOM 0 H TRP A 30 19.915 8.872 -0.700 1.00 0.00 H new ATOM 0 HA TRP A 30 17.072 8.415 -0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.228 6.914 -1.820 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.564 6.374 -1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.762 8.398 -3.862 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.408 9.765 -5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.138 7.916 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.735 10.544 -5.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.225 9.014 -2.838 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.518 10.310 -4.905 1.00 0.00 H new ATOM 411 N VAL A 31 17.104 6.571 1.367 1.00 0.00 N ATOM 412 CA VAL A 31 17.089 5.566 2.415 1.00 0.00 C ATOM 413 C VAL A 31 15.953 4.582 2.180 1.00 0.00 C ATOM 414 O VAL A 31 14.816 4.980 1.925 1.00 0.00 O ATOM 415 CB VAL A 31 16.952 6.184 3.824 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.274 6.787 4.273 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.848 7.229 3.867 1.00 0.00 C ATOM 0 H VAL A 31 16.189 6.971 1.160 1.00 0.00 H new ATOM 0 HA VAL A 31 18.048 5.049 2.373 1.00 0.00 H new ATOM 0 HB VAL A 31 16.681 5.384 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.158 7.218 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.038 6.010 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.575 7.566 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.778 7.644 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.075 8.027 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.898 6.766 3.599 1.00 0.00 H new ATOM 427 N THR A 32 16.268 3.300 2.237 1.00 0.00 N ATOM 428 CA THR A 32 15.273 2.264 2.024 1.00 0.00 C ATOM 429 C THR A 32 14.400 2.096 3.264 1.00 0.00 C ATOM 430 O THR A 32 14.873 1.663 4.318 1.00 0.00 O ATOM 431 CB THR A 32 15.945 0.926 1.677 1.00 0.00 C ATOM 432 OG1 THR A 32 16.973 1.143 0.702 1.00 0.00 O ATOM 433 CG2 THR A 32 14.930 -0.063 1.127 1.00 0.00 C ATOM 0 H THR A 32 17.207 2.951 2.429 1.00 0.00 H new ATOM 0 HA THR A 32 14.645 2.569 1.187 1.00 0.00 H new ATOM 0 HB THR A 32 16.378 0.512 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.402 0.289 0.483 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.429 -1.002 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.156 -0.243 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.476 0.346 0.224 1.00 0.00 H new ATOM 441 N SER A 33 13.132 2.449 3.132 1.00 0.00 N ATOM 442 CA SER A 33 12.196 2.349 4.237 1.00 0.00 C ATOM 443 C SER A 33 10.991 1.497 3.856 1.00 0.00 C ATOM 444 O SER A 33 10.714 1.291 2.671 1.00 0.00 O ATOM 445 CB SER A 33 11.747 3.745 4.665 1.00 0.00 C ATOM 446 OG SER A 33 12.841 4.502 5.155 1.00 0.00 O ATOM 0 H SER A 33 12.727 2.808 2.267 1.00 0.00 H new ATOM 0 HA SER A 33 12.699 1.864 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.293 4.261 3.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.981 3.664 5.437 1.00 0.00 H new ATOM 0 HG SER A 33 12.849 5.382 4.724 1.00 0.00 H new ATOM 451 N GLU A 34 10.289 1.000 4.867 1.00 0.00 N ATOM 452 CA GLU A 34 9.115 0.165 4.659 1.00 0.00 C ATOM 453 C GLU A 34 8.008 0.518 5.647 1.00 0.00 C ATOM 454 O GLU A 34 8.274 0.858 6.799 1.00 0.00 O ATOM 455 CB GLU A 34 9.471 -1.315 4.813 1.00 0.00 C ATOM 456 CG GLU A 34 10.367 -1.858 3.714 1.00 0.00 C ATOM 457 CD GLU A 34 10.722 -3.314 3.927 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.723 -3.583 4.620 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.003 -4.194 3.407 1.00 0.00 O ATOM 0 H GLU A 34 10.516 1.164 5.848 1.00 0.00 H new ATOM 0 HA GLU A 34 8.759 0.349 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.965 -1.460 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.550 -1.898 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.867 -1.746 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.281 -1.267 3.669 1.00 0.00 H new ATOM 464 N LEU A 35 6.774 0.447 5.177 1.00 0.00 N ATOM 465 CA LEU A 35 5.609 0.725 6.006 1.00 0.00 C ATOM 466 C LEU A 35 4.541 -0.308 5.682 1.00 0.00 C ATOM 467 O LEU A 35 4.210 -0.514 4.514 1.00 0.00 O ATOM 468 CB LEU A 35 5.078 2.147 5.753 1.00 0.00 C ATOM 469 CG LEU A 35 4.191 2.755 6.859 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.807 2.126 6.873 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.853 2.597 8.220 1.00 0.00 C ATOM 0 H LEU A 35 6.550 0.196 4.214 1.00 0.00 H new ATOM 0 HA LEU A 35 5.884 0.665 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.931 2.808 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.508 2.139 4.824 1.00 0.00 H new ATOM 0 HG LEU A 35 4.075 3.817 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.210 2.578 7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.322 2.293 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.896 1.055 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.213 3.031 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.005 1.538 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.816 3.108 8.218 1.00 0.00 H new ATOM 482 N ASP A 36 4.020 -0.966 6.701 1.00 0.00 N ATOM 483 CA ASP A 36 3.004 -1.987 6.490 1.00 0.00 C ATOM 484 C ASP A 36 1.614 -1.379 6.555 1.00 0.00 C ATOM 485 O ASP A 36 1.145 -0.984 7.623 1.00 0.00 O ATOM 486 CB ASP A 36 3.125 -3.092 7.533 1.00 0.00 C ATOM 487 CG ASP A 36 2.275 -4.292 7.186 1.00 0.00 C ATOM 488 OD1 ASP A 36 2.586 -4.971 6.188 1.00 0.00 O ATOM 489 OD2 ASP A 36 1.297 -4.562 7.904 1.00 0.00 O ATOM 0 H ASP A 36 4.279 -0.816 7.676 1.00 0.00 H new ATOM 0 HA ASP A 36 3.161 -2.415 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.168 -3.398 7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.826 -2.705 8.507 1.00 0.00 H new ATOM 493 N LEU A 37 0.956 -1.315 5.411 1.00 0.00 N ATOM 494 CA LEU A 37 -0.383 -0.748 5.331 1.00 0.00 C ATOM 495 C LEU A 37 -1.449 -1.753 5.758 1.00 0.00 C ATOM 496 O LEU A 37 -2.587 -1.372 6.017 1.00 0.00 O ATOM 497 CB LEU A 37 -0.686 -0.283 3.908 1.00 0.00 C ATOM 498 CG LEU A 37 0.521 0.149 3.081 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.079 0.520 1.681 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.240 1.313 3.741 1.00 0.00 C ATOM 0 H LEU A 37 1.326 -1.649 4.521 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.409 0.102 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.193 -1.092 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.385 0.552 3.959 1.00 0.00 H new ATOM 0 HG LEU A 37 1.220 -0.685 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.945 0.828 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.392 -0.342 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.636 1.342 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.097 1.603 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.557 2.158 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.583 1.014 4.732 1.00 0.00 H new ATOM 511 N ASP A 38 -1.080 -3.029 5.849 1.00 0.00 N ATOM 512 CA ASP A 38 -2.031 -4.082 6.237 1.00 0.00 C ATOM 513 C ASP A 38 -2.536 -3.850 7.652 1.00 0.00 C ATOM 514 O ASP A 38 -3.537 -4.421 8.073 1.00 0.00 O ATOM 515 CB ASP A 38 -1.375 -5.459 6.145 1.00 0.00 C ATOM 516 CG ASP A 38 -2.363 -6.592 5.981 1.00 0.00 C ATOM 517 OD1 ASP A 38 -2.995 -6.681 4.908 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.489 -7.422 6.901 1.00 0.00 O ATOM 0 H ASP A 38 -0.135 -3.363 5.661 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.875 -4.045 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.683 -5.467 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.784 -5.631 7.044 1.00 0.00 H new ATOM 522 N THR A 39 -1.834 -2.998 8.377 1.00 0.00 N ATOM 523 CA THR A 39 -2.192 -2.675 9.742 1.00 0.00 C ATOM 524 C THR A 39 -3.323 -1.647 9.798 1.00 0.00 C ATOM 525 O THR A 39 -4.045 -1.564 10.792 1.00 0.00 O ATOM 526 CB THR A 39 -0.975 -2.112 10.499 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.502 -0.925 9.842 1.00 0.00 O ATOM 528 CG2 THR A 39 0.144 -3.140 10.567 1.00 0.00 C ATOM 0 H THR A 39 -1.004 -2.514 8.036 1.00 0.00 H new ATOM 0 HA THR A 39 -2.530 -3.599 10.212 1.00 0.00 H new ATOM 0 HB THR A 39 -1.284 -1.870 11.516 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.066 -1.175 9.083 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.993 -2.719 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.211 -4.030 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.453 -3.409 9.557 1.00 0.00 H new ATOM 536 N CYS A 40 -3.491 -0.881 8.724 1.00 0.00 N ATOM 537 CA CYS A 40 -4.508 0.165 8.695 1.00 0.00 C ATOM 538 C CYS A 40 -5.498 0.000 7.538 1.00 0.00 C ATOM 539 O CYS A 40 -6.502 0.712 7.471 1.00 0.00 O ATOM 540 CB CYS A 40 -3.819 1.528 8.607 1.00 0.00 C ATOM 541 SG CYS A 40 -2.472 1.745 9.797 1.00 0.00 S ATOM 0 H CYS A 40 -2.941 -0.964 7.869 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.089 0.088 9.614 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.426 1.661 7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.561 2.311 8.766 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.718 0.686 9.796 1.00 0.00 H new ATOM 546 N ILE A 41 -5.221 -0.925 6.631 1.00 0.00 N ATOM 547 CA ILE A 41 -6.105 -1.161 5.495 1.00 0.00 C ATOM 548 C ILE A 41 -6.774 -2.524 5.619 1.00 0.00 C ATOM 549 O ILE A 41 -6.116 -3.519 5.933 1.00 0.00 O ATOM 550 CB ILE A 41 -5.347 -1.095 4.147 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.684 0.267 3.963 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.293 -1.378 2.989 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.897 0.390 2.675 1.00 0.00 C ATOM 0 H ILE A 41 -4.395 -1.523 6.657 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.856 -0.371 5.507 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.569 -1.858 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.451 1.041 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.018 0.454 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.743 -1.327 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.723 -2.373 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.092 -0.636 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.454 1.384 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.107 -0.361 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.563 0.235 1.826 1.00 0.00 H new ATOM 564 N GLY A 42 -8.078 -2.564 5.383 1.00 0.00 N ATOM 565 CA GLY A 42 -8.808 -3.811 5.462 1.00 0.00 C ATOM 566 C GLY A 42 -9.852 -3.922 4.375 1.00 0.00 C ATOM 567 O GLY A 42 -10.369 -2.905 3.901 1.00 0.00 O ATOM 0 H GLY A 42 -8.644 -1.752 5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.111 -4.645 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.289 -3.889 6.437 1.00 0.00 H new ATOM 571 N ASN A 43 -10.165 -5.152 3.978 1.00 0.00 N ATOM 572 CA ASN A 43 -11.150 -5.387 2.923 1.00 0.00 C ATOM 573 C ASN A 43 -11.710 -6.821 2.942 1.00 0.00 C ATOM 574 O ASN A 43 -11.819 -7.453 1.890 1.00 0.00 O ATOM 575 CB ASN A 43 -10.504 -5.105 1.563 1.00 0.00 C ATOM 576 CG ASN A 43 -9.420 -6.103 1.204 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.837 -6.752 2.067 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.134 -6.213 -0.074 1.00 0.00 N ATOM 0 H ASN A 43 -9.753 -6.000 4.368 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.989 -4.714 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.274 -5.120 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.079 -4.101 1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.404 -6.856 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.642 -5.655 -0.760 1.00 0.00 H new ATOM 584 N PRO A 44 -12.144 -7.345 4.108 1.00 0.00 N ATOM 585 CA PRO A 44 -12.672 -8.713 4.195 1.00 0.00 C ATOM 586 C PRO A 44 -14.005 -8.853 3.467 1.00 0.00 C ATOM 587 O PRO A 44 -14.444 -9.955 3.135 1.00 0.00 O ATOM 588 CB PRO A 44 -12.864 -8.949 5.700 1.00 0.00 C ATOM 589 CG PRO A 44 -12.201 -7.800 6.383 1.00 0.00 C ATOM 590 CD PRO A 44 -12.204 -6.662 5.407 1.00 0.00 C ATOM 0 HA PRO A 44 -12.000 -9.434 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.922 -8.997 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.419 -9.895 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.735 -7.530 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.183 -8.058 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.102 -6.051 5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.351 -6.000 5.555 1.00 0.00 H new ATOM 595 N ASN A 45 -14.638 -7.716 3.222 1.00 0.00 N ATOM 596 CA ASN A 45 -15.923 -7.674 2.541 1.00 0.00 C ATOM 597 C ASN A 45 -15.744 -7.476 1.042 1.00 0.00 C ATOM 598 O ASN A 45 -16.706 -7.551 0.279 1.00 0.00 O ATOM 599 CB ASN A 45 -16.784 -6.547 3.117 1.00 0.00 C ATOM 600 CG ASN A 45 -17.205 -6.822 4.546 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.371 -7.978 4.943 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.372 -5.770 5.332 1.00 0.00 N ATOM 0 H ASN A 45 -14.277 -6.800 3.488 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.423 -8.629 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.228 -5.611 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.671 -6.417 2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.648 -5.899 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.225 -4.830 4.964 1.00 0.00 H new ATOM 608 N GLY A 46 -14.509 -7.240 0.616 1.00 0.00 N ATOM 609 CA GLY A 46 -14.255 -7.030 -0.792 1.00 0.00 C ATOM 610 C GLY A 46 -14.111 -5.565 -1.154 1.00 0.00 C ATOM 611 O GLY A 46 -14.079 -5.213 -2.331 1.00 0.00 O ATOM 0 H GLY A 46 -13.686 -7.191 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.345 -7.560 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.070 -7.464 -1.372 1.00 0.00 H new ATOM 615 N PHE A 47 -14.041 -4.703 -0.148 1.00 0.00 N ATOM 616 CA PHE A 47 -13.897 -3.274 -0.389 1.00 0.00 C ATOM 617 C PHE A 47 -12.687 -2.721 0.342 1.00 0.00 C ATOM 618 O PHE A 47 -12.529 -2.914 1.545 1.00 0.00 O ATOM 619 CB PHE A 47 -15.161 -2.525 0.016 1.00 0.00 C ATOM 620 CG PHE A 47 -16.367 -2.952 -0.767 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.391 -2.824 -2.150 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.476 -3.476 -0.126 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.501 -3.212 -2.874 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.587 -3.867 -0.847 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.599 -3.734 -2.221 1.00 0.00 C ATOM 0 H PHE A 47 -14.081 -4.966 0.837 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.743 -3.127 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.348 -2.685 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.004 -1.455 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.533 -2.417 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.473 -3.580 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.510 -3.107 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.446 -4.277 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.468 -4.039 -2.785 1.00 0.00 H new ATOM 634 N LEU A 48 -11.856 -2.009 -0.398 1.00 0.00 N ATOM 635 CA LEU A 48 -10.626 -1.437 0.127 1.00 0.00 C ATOM 636 C LEU A 48 -10.874 -0.109 0.824 1.00 0.00 C ATOM 637 O LEU A 48 -11.637 0.725 0.338 1.00 0.00 O ATOM 638 CB LEU A 48 -9.651 -1.217 -1.028 1.00 0.00 C ATOM 639 CG LEU A 48 -9.068 -2.483 -1.652 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.315 -2.141 -2.925 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.150 -3.187 -0.665 1.00 0.00 C ATOM 0 H LEU A 48 -12.015 -1.809 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.214 -2.131 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.161 -0.652 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.828 -0.597 -0.672 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.887 -3.158 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.904 -3.052 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.996 -1.674 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.503 -1.451 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.743 -4.087 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.334 -2.520 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.715 -3.459 0.227 1.00 0.00 H new ATOM 652 N GLY A 49 -10.224 0.080 1.961 1.00 0.00 N ATOM 653 CA GLY A 49 -10.364 1.315 2.699 1.00 0.00 C ATOM 654 C GLY A 49 -9.513 1.318 3.948 1.00 0.00 C ATOM 655 O GLY A 49 -8.950 0.284 4.320 1.00 0.00 O ATOM 0 H GLY A 49 -9.599 -0.604 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.080 2.153 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.410 1.460 2.970 1.00 0.00 H new ATOM 659 N TRP A 50 -9.419 2.468 4.594 1.00 0.00 N ATOM 660 CA TRP A 50 -8.628 2.598 5.806 1.00 0.00 C ATOM 661 C TRP A 50 -9.516 2.439 7.031 1.00 0.00 C ATOM 662 O TRP A 50 -10.616 2.995 7.095 1.00 0.00 O ATOM 663 CB TRP A 50 -7.920 3.956 5.847 1.00 0.00 C ATOM 664 CG TRP A 50 -6.921 4.157 4.743 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.155 4.678 3.502 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.524 3.844 4.786 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.986 4.706 2.774 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.975 4.194 3.538 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.690 3.297 5.756 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.627 4.017 3.242 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.354 3.119 5.461 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.833 3.475 4.213 1.00 0.00 C ATOM 0 H TRP A 50 -9.882 3.327 4.298 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.872 1.812 5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.669 4.746 5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.413 4.061 6.806 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.116 5.018 3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.890 5.053 1.819 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.081 3.017 6.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.223 4.298 2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.698 2.697 6.208 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.783 3.319 4.013 1.00 0.00 H new ATOM 682 N GLY A 51 -9.040 1.670 7.995 1.00 0.00 N ATOM 683 CA GLY A 51 -9.791 1.438 9.208 1.00 0.00 C ATOM 684 C GLY A 51 -9.527 0.062 9.767 1.00 0.00 C ATOM 685 O GLY A 51 -8.920 -0.082 10.828 1.00 0.00 O ATOM 0 H GLY A 51 -8.137 1.198 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.526 2.191 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.856 1.551 9.005 1.00 0.00 H new ATOM 689 N MET A 52 -9.968 -0.951 9.039 1.00 0.00 N ATOM 690 CA MET A 52 -9.771 -2.331 9.454 1.00 0.00 C ATOM 691 C MET A 52 -8.347 -2.751 9.088 1.00 0.00 C ATOM 692 O MET A 52 -7.587 -1.949 8.556 1.00 0.00 O ATOM 693 CB MET A 52 -10.819 -3.221 8.775 1.00 0.00 C ATOM 694 CG MET A 52 -11.063 -4.545 9.482 1.00 0.00 C ATOM 695 SD MET A 52 -12.569 -5.361 8.920 1.00 0.00 S ATOM 696 CE MET A 52 -12.587 -6.786 10.004 1.00 0.00 C ATOM 0 H MET A 52 -10.466 -0.843 8.155 1.00 0.00 H new ATOM 0 HA MET A 52 -9.896 -2.435 10.532 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.760 -2.675 8.716 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.502 -3.421 7.752 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.212 -5.205 9.314 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.126 -4.373 10.557 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.461 -7.399 9.785 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.683 -7.374 9.847 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.628 -6.454 11.041 1.00 0.00 H new ATOM 704 N GLN A 53 -7.975 -3.985 9.376 1.00 0.00 N ATOM 705 CA GLN A 53 -6.632 -4.448 9.070 1.00 0.00 C ATOM 706 C GLN A 53 -6.665 -5.788 8.351 1.00 0.00 C ATOM 707 O GLN A 53 -7.713 -6.438 8.290 1.00 0.00 O ATOM 708 CB GLN A 53 -5.814 -4.565 10.356 1.00 0.00 C ATOM 709 CG GLN A 53 -6.423 -5.514 11.375 1.00 0.00 C ATOM 710 CD GLN A 53 -5.614 -5.612 12.654 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.939 -4.534 13.020 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.603 -6.651 13.313 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.577 -4.680 9.817 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.163 -3.719 8.409 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.809 -4.906 10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.714 -3.577 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.433 -5.181 11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.512 -6.506 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.137 -7.461 12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.060 -6.702 14.175 1.00 0.00 H new ATOM 719 N ASN A 54 -5.510 -6.179 7.809 1.00 0.00 N ATOM 720 CA ASN A 54 -5.346 -7.445 7.099 1.00 0.00 C ATOM 721 C ASN A 54 -6.093 -7.449 5.772 1.00 0.00 C ATOM 722 O ASN A 54 -6.982 -8.270 5.553 1.00 0.00 O ATOM 723 CB ASN A 54 -5.792 -8.634 7.966 1.00 0.00 C ATOM 724 CG ASN A 54 -4.771 -9.024 9.025 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.965 -8.072 9.464 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -4.700 -10.181 9.442 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.657 -5.621 7.852 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.282 -7.553 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.734 -8.385 8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.983 -9.493 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.337 -10.892 9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.005 -10.427 10.146 1.00 0.00 H new ATOM 732 N PHE A 55 -5.719 -6.540 4.880 1.00 0.00 N ATOM 733 CA PHE A 55 -6.352 -6.455 3.574 1.00 0.00 C ATOM 734 C PHE A 55 -5.660 -7.391 2.588 1.00 0.00 C ATOM 735 O PHE A 55 -6.311 -8.034 1.769 1.00 0.00 O ATOM 736 CB PHE A 55 -6.335 -5.013 3.041 1.00 0.00 C ATOM 737 CG PHE A 55 -5.016 -4.565 2.466 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.983 -4.168 3.294 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.817 -4.539 1.093 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.773 -3.752 2.771 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.610 -4.125 0.562 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.585 -3.732 1.402 1.00 0.00 C ATOM 0 H PHE A 55 -4.982 -5.853 5.039 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.392 -6.762 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.102 -4.916 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.609 -4.338 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.123 -4.183 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.614 -4.846 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.976 -3.443 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.468 -4.109 -0.508 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.640 -3.410 0.990 1.00 0.00 H new ATOM 751 N SER A 56 -4.339 -7.497 2.701 1.00 0.00 N ATOM 752 CA SER A 56 -3.556 -8.344 1.807 1.00 0.00 C ATOM 753 C SER A 56 -3.927 -9.806 1.998 1.00 0.00 C ATOM 754 O SER A 56 -3.743 -10.636 1.108 1.00 0.00 O ATOM 755 CB SER A 56 -2.060 -8.149 2.069 1.00 0.00 C ATOM 756 OG SER A 56 -1.739 -8.441 3.420 1.00 0.00 O ATOM 0 H SER A 56 -3.788 -7.006 3.404 1.00 0.00 H new ATOM 0 HA SER A 56 -3.778 -8.057 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.484 -8.795 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.777 -7.122 1.838 1.00 0.00 H new ATOM 0 HG SER A 56 -2.400 -8.023 4.011 1.00 0.00 H new ATOM 761 N HIS A 57 -4.476 -10.099 3.164 1.00 0.00 N ATOM 762 CA HIS A 57 -4.878 -11.448 3.514 1.00 0.00 C ATOM 763 C HIS A 57 -6.175 -11.836 2.807 1.00 0.00 C ATOM 764 O HIS A 57 -6.568 -13.003 2.805 1.00 0.00 O ATOM 765 CB HIS A 57 -5.034 -11.563 5.027 1.00 0.00 C ATOM 766 CG HIS A 57 -3.731 -11.516 5.773 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.076 -10.340 6.092 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.954 -12.515 6.257 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.959 -10.622 6.734 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.862 -11.932 6.846 1.00 0.00 N ATOM 0 H HIS A 57 -4.655 -9.409 3.893 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.102 -12.139 3.183 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.674 -10.754 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.543 -12.498 5.261 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.157 -13.574 6.191 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.245 -9.902 7.105 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.097 -12.432 7.299 1.00 0.00 H new ATOM 778 N SER A 58 -6.829 -10.851 2.212 1.00 0.00 N ATOM 779 CA SER A 58 -8.069 -11.075 1.486 1.00 0.00 C ATOM 780 C SER A 58 -8.036 -10.362 0.135 1.00 0.00 C ATOM 781 O SER A 58 -9.059 -9.889 -0.362 1.00 0.00 O ATOM 782 CB SER A 58 -9.260 -10.601 2.324 1.00 0.00 C ATOM 783 OG SER A 58 -8.956 -9.393 3.006 1.00 0.00 O ATOM 0 H SER A 58 -6.518 -9.880 2.218 1.00 0.00 H new ATOM 0 HA SER A 58 -8.180 -12.143 1.300 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.126 -10.450 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.531 -11.372 3.046 1.00 0.00 H new ATOM 0 HG SER A 58 -9.002 -8.642 2.378 1.00 0.00 H new ATOM 788 N SER A 59 -6.851 -10.292 -0.460 1.00 0.00 N ATOM 789 CA SER A 59 -6.693 -9.633 -1.750 1.00 0.00 C ATOM 790 C SER A 59 -5.807 -10.441 -2.690 1.00 0.00 C ATOM 791 O SER A 59 -4.958 -11.224 -2.256 1.00 0.00 O ATOM 792 CB SER A 59 -6.097 -8.236 -1.567 1.00 0.00 C ATOM 793 OG SER A 59 -6.891 -7.453 -0.701 1.00 0.00 O ATOM 0 H SER A 59 -5.991 -10.681 -0.073 1.00 0.00 H new ATOM 0 HA SER A 59 -7.684 -9.553 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.087 -8.318 -1.165 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.015 -7.743 -2.536 1.00 0.00 H new ATOM 0 HG SER A 59 -6.856 -7.828 0.204 1.00 0.00 H new ATOM 798 N GLU A 60 -6.024 -10.238 -3.982 1.00 0.00 N ATOM 799 CA GLU A 60 -5.265 -10.912 -5.024 1.00 0.00 C ATOM 800 C GLU A 60 -4.779 -9.891 -6.046 1.00 0.00 C ATOM 801 O GLU A 60 -5.460 -8.898 -6.289 1.00 0.00 O ATOM 802 CB GLU A 60 -6.145 -11.952 -5.718 1.00 0.00 C ATOM 803 CG GLU A 60 -6.609 -13.072 -4.803 1.00 0.00 C ATOM 804 CD GLU A 60 -7.783 -13.837 -5.378 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.717 -14.241 -6.555 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.779 -14.036 -4.652 1.00 0.00 O ATOM 0 H GLU A 60 -6.735 -9.598 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.407 -11.411 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.019 -11.453 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.592 -12.383 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.782 -13.760 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.889 -12.655 -3.836 1.00 0.00 H new ATOM 811 N ASP A 61 -3.601 -10.129 -6.619 1.00 0.00 N ATOM 812 CA ASP A 61 -3.025 -9.241 -7.635 1.00 0.00 C ATOM 813 C ASP A 61 -2.847 -7.825 -7.085 1.00 0.00 C ATOM 814 O ASP A 61 -3.515 -6.883 -7.513 1.00 0.00 O ATOM 815 CB ASP A 61 -3.909 -9.224 -8.891 1.00 0.00 C ATOM 816 CG ASP A 61 -3.252 -8.537 -10.076 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.199 -9.020 -10.533 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.810 -7.539 -10.582 1.00 0.00 O ATOM 0 H ASP A 61 -3.019 -10.937 -6.396 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.041 -9.624 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.158 -10.249 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.847 -8.719 -8.661 1.00 0.00 H new ATOM 822 N ILE A 62 -1.947 -7.690 -6.121 1.00 0.00 N ATOM 823 CA ILE A 62 -1.678 -6.402 -5.497 1.00 0.00 C ATOM 824 C ILE A 62 -0.508 -5.706 -6.184 1.00 0.00 C ATOM 825 O ILE A 62 0.626 -6.180 -6.128 1.00 0.00 O ATOM 826 CB ILE A 62 -1.369 -6.566 -3.992 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.557 -7.223 -3.283 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.043 -5.222 -3.357 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.314 -7.511 -1.817 1.00 0.00 C ATOM 0 H ILE A 62 -1.389 -8.460 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.574 -5.791 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.495 -7.209 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.427 -6.574 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.800 -8.156 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.829 -5.363 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.172 -4.789 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.894 -4.551 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.201 -7.976 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.464 -8.186 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.102 -6.579 -1.293 1.00 0.00 H new ATOM 840 N LYS A 63 -0.785 -4.585 -6.833 1.00 0.00 N ATOM 841 CA LYS A 63 0.248 -3.840 -7.533 1.00 0.00 C ATOM 842 C LYS A 63 -0.015 -2.341 -7.425 1.00 0.00 C ATOM 843 O LYS A 63 -1.163 -1.902 -7.361 1.00 0.00 O ATOM 844 CB LYS A 63 0.287 -4.260 -9.004 1.00 0.00 C ATOM 845 CG LYS A 63 1.674 -4.198 -9.623 1.00 0.00 C ATOM 846 CD LYS A 63 2.603 -5.225 -8.989 1.00 0.00 C ATOM 847 CE LYS A 63 3.950 -5.269 -9.689 1.00 0.00 C ATOM 848 NZ LYS A 63 4.837 -6.328 -9.129 1.00 0.00 N ATOM 0 H LYS A 63 -1.716 -4.172 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 63 1.212 -4.060 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.095 -5.277 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.384 -3.617 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.605 -4.378 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.089 -3.198 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.748 -4.984 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.139 -6.210 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.799 -5.448 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.439 -4.299 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.746 -6.323 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.002 -6.144 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.383 -7.257 -9.242 1.00 0.00 H new ATOM 858 N LEU A 64 1.053 -1.559 -7.392 1.00 0.00 N ATOM 859 CA LEU A 64 0.937 -0.110 -7.297 1.00 0.00 C ATOM 860 C LEU A 64 0.707 0.496 -8.676 1.00 0.00 C ATOM 861 O LEU A 64 1.283 0.046 -9.665 1.00 0.00 O ATOM 862 CB LEU A 64 2.194 0.473 -6.659 1.00 0.00 C ATOM 863 CG LEU A 64 2.359 0.151 -5.173 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.778 0.447 -4.713 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.358 0.945 -4.350 1.00 0.00 C ATOM 0 H LEU A 64 2.012 -1.903 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 64 0.080 0.134 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.066 0.101 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.181 1.556 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 64 2.168 -0.912 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.874 0.211 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.480 -0.160 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.999 1.503 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.485 0.707 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.524 2.011 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.346 0.687 -4.661 1.00 0.00 H new ATOM 876 N GLU A 65 -0.151 1.507 -8.732 1.00 0.00 N ATOM 877 CA GLU A 65 -0.485 2.163 -9.989 1.00 0.00 C ATOM 878 C GLU A 65 0.234 3.505 -10.151 1.00 0.00 C ATOM 879 O GLU A 65 0.936 3.720 -11.136 1.00 0.00 O ATOM 880 CB GLU A 65 -1.998 2.358 -10.075 1.00 0.00 C ATOM 881 CG GLU A 65 -2.455 3.049 -11.344 1.00 0.00 C ATOM 882 CD GLU A 65 -3.958 3.005 -11.517 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.466 1.978 -12.011 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.631 3.995 -11.166 1.00 0.00 O ATOM 0 H GLU A 65 -0.630 1.891 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.147 1.521 -10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.485 1.385 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.329 2.941 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.124 4.088 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.979 2.576 -12.203 1.00 0.00 H new ATOM 889 N GLU A 66 0.070 4.401 -9.182 1.00 0.00 N ATOM 890 CA GLU A 66 0.706 5.719 -9.239 1.00 0.00 C ATOM 891 C GLU A 66 2.131 5.662 -8.729 1.00 0.00 C ATOM 892 O GLU A 66 2.597 6.572 -8.042 1.00 0.00 O ATOM 893 CB GLU A 66 -0.080 6.727 -8.418 1.00 0.00 C ATOM 894 CG GLU A 66 -1.469 6.957 -8.950 1.00 0.00 C ATOM 895 CD GLU A 66 -1.475 7.737 -10.251 1.00 0.00 C ATOM 896 OE1 GLU A 66 -0.848 8.816 -10.302 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.111 7.280 -11.223 1.00 0.00 O ATOM 0 H GLU A 66 -0.496 4.242 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 66 0.718 6.031 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.144 6.378 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.459 7.674 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.958 5.995 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.055 7.496 -8.205 1.00 0.00 H new ATOM 902 N GLY A 67 2.790 4.563 -9.026 1.00 0.00 N ATOM 903 CA GLY A 67 4.165 4.368 -8.608 1.00 0.00 C ATOM 904 C GLY A 67 4.300 4.154 -7.112 1.00 0.00 C ATOM 905 O GLY A 67 5.399 3.935 -6.612 1.00 0.00 O ATOM 0 H GLY A 67 2.396 3.787 -9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.581 3.508 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.756 5.236 -8.901 1.00 0.00 H new ATOM 909 N GLY A 68 3.182 4.215 -6.397 1.00 0.00 N ATOM 910 CA GLY A 68 3.219 4.029 -4.963 1.00 0.00 C ATOM 911 C GLY A 68 2.182 4.852 -4.224 1.00 0.00 C ATOM 912 O GLY A 68 1.936 4.620 -3.048 1.00 0.00 O ATOM 0 H GLY A 68 2.255 4.389 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.064 2.974 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.211 4.292 -4.595 1.00 0.00 H new ATOM 916 N ARG A 69 1.563 5.811 -4.901 1.00 0.00 N ATOM 917 CA ARG A 69 0.553 6.653 -4.258 1.00 0.00 C ATOM 918 C ARG A 69 -0.851 6.101 -4.486 1.00 0.00 C ATOM 919 O ARG A 69 -1.844 6.689 -4.061 1.00 0.00 O ATOM 920 CB ARG A 69 0.662 8.092 -4.768 1.00 0.00 C ATOM 921 CG ARG A 69 1.849 8.840 -4.183 1.00 0.00 C ATOM 922 CD ARG A 69 2.134 10.138 -4.921 1.00 0.00 C ATOM 923 NE ARG A 69 2.671 9.898 -6.261 1.00 0.00 N ATOM 924 CZ ARG A 69 3.399 10.776 -6.948 1.00 0.00 C ATOM 925 NH1 ARG A 69 3.704 11.950 -6.417 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.824 10.472 -8.170 1.00 0.00 N ATOM 0 H ARG A 69 1.737 6.026 -5.883 1.00 0.00 H new ATOM 0 HA ARG A 69 0.738 6.649 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.746 8.081 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.255 8.629 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.657 9.057 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.732 8.202 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.216 10.721 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.844 10.734 -4.347 1.00 0.00 H new ATOM 0 HE ARG A 69 2.474 8.998 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.381 12.185 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.262 12.620 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.592 9.567 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.382 11.143 -8.698 1.00 0.00 H new ATOM 937 N LYS A 70 -0.916 4.945 -5.128 1.00 0.00 N ATOM 938 CA LYS A 70 -2.181 4.294 -5.434 1.00 0.00 C ATOM 939 C LYS A 70 -1.965 2.789 -5.496 1.00 0.00 C ATOM 940 O LYS A 70 -1.166 2.311 -6.301 1.00 0.00 O ATOM 941 CB LYS A 70 -2.709 4.801 -6.777 1.00 0.00 C ATOM 942 CG LYS A 70 -4.110 4.335 -7.136 1.00 0.00 C ATOM 943 CD LYS A 70 -5.168 5.134 -6.398 1.00 0.00 C ATOM 944 CE LYS A 70 -6.523 5.009 -7.073 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.529 5.926 -6.481 1.00 0.00 N ATOM 0 H LYS A 70 -0.096 4.432 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.911 4.524 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.697 5.891 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.024 4.482 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.263 4.433 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.216 3.278 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.239 4.784 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.874 6.183 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.419 5.224 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.876 3.981 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.210 6.213 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.032 5.440 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.051 6.769 -6.104 1.00 0.00 H new ATOM 955 N LEU A 71 -2.653 2.055 -4.642 1.00 0.00 N ATOM 956 CA LEU A 71 -2.525 0.607 -4.605 1.00 0.00 C ATOM 957 C LEU A 71 -3.743 -0.034 -5.255 1.00 0.00 C ATOM 958 O LEU A 71 -4.873 0.178 -4.817 1.00 0.00 O ATOM 959 CB LEU A 71 -2.376 0.135 -3.152 1.00 0.00 C ATOM 960 CG LEU A 71 -2.029 -1.347 -2.954 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.316 -1.544 -1.626 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.278 -2.215 -2.994 1.00 0.00 C ATOM 0 H LEU A 71 -3.309 2.438 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.636 0.307 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.602 0.735 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.309 0.342 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.372 -1.649 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.074 -2.599 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.397 -0.957 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.964 -1.217 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.000 -3.259 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.959 -1.909 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.770 -2.100 -3.960 1.00 0.00 H new ATOM 973 N THR A 72 -3.512 -0.800 -6.306 1.00 0.00 N ATOM 974 CA THR A 72 -4.593 -1.471 -7.005 1.00 0.00 C ATOM 975 C THR A 72 -4.484 -2.979 -6.847 1.00 0.00 C ATOM 976 O THR A 72 -3.406 -3.556 -6.994 1.00 0.00 O ATOM 977 CB THR A 72 -4.614 -1.097 -8.498 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.276 -1.050 -9.018 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.298 0.244 -8.705 1.00 0.00 C ATOM 0 H THR A 72 -2.585 -0.973 -6.694 1.00 0.00 H new ATOM 0 HA THR A 72 -5.529 -1.137 -6.557 1.00 0.00 H new ATOM 0 HB THR A 72 -5.177 -1.861 -9.034 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.712 -1.684 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.302 0.490 -9.767 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.324 0.189 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.759 1.016 -8.156 1.00 0.00 H new ATOM 987 N CYS A 73 -5.600 -3.608 -6.534 1.00 0.00 N ATOM 988 CA CYS A 73 -5.636 -5.043 -6.341 1.00 0.00 C ATOM 989 C CYS A 73 -7.059 -5.547 -6.483 1.00 0.00 C ATOM 990 O CYS A 73 -7.987 -4.766 -6.664 1.00 0.00 O ATOM 991 CB CYS A 73 -5.092 -5.402 -4.956 1.00 0.00 C ATOM 992 SG CYS A 73 -5.990 -4.634 -3.587 1.00 0.00 S ATOM 0 H CYS A 73 -6.499 -3.143 -6.407 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.012 -5.517 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.123 -6.485 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.045 -5.105 -4.901 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.457 -5.000 -2.459 1.00 0.00 H new ATOM 997 N ARG A 74 -7.233 -6.845 -6.421 1.00 0.00 N ATOM 998 CA ARG A 74 -8.550 -7.427 -6.523 1.00 0.00 C ATOM 999 C ARG A 74 -8.947 -8.000 -5.170 1.00 0.00 C ATOM 1000 O ARG A 74 -8.520 -9.093 -4.791 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.557 -8.477 -7.638 1.00 0.00 C ATOM 1002 CG ARG A 74 -9.921 -9.069 -7.975 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.298 -10.231 -7.067 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.497 -10.924 -7.541 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.820 -12.176 -7.212 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.048 -12.878 -6.387 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.916 -12.728 -7.712 1.00 0.00 N ATOM 0 H ARG A 74 -6.478 -7.520 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.291 -6.673 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.143 -8.026 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.889 -9.289 -7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.680 -8.291 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.919 -9.408 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.468 -10.935 -7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.467 -9.862 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.126 -10.417 -8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.202 -12.460 -6.001 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.302 -13.835 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.511 -12.196 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.165 -13.685 -7.462 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.735 -7.231 -4.409 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.212 -7.634 -3.086 1.00 0.00 C ATOM 1020 C PRO A 75 -11.257 -8.727 -3.179 1.00 0.00 C ATOM 1021 O PRO A 75 -12.153 -8.654 -4.021 1.00 0.00 O ATOM 1022 CB PRO A 75 -10.845 -6.358 -2.536 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.265 -5.600 -3.742 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.227 -5.893 -4.784 1.00 0.00 C ATOM 0 HA PRO A 75 -9.412 -8.035 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.696 -6.583 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.134 -5.789 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.255 -5.912 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.321 -4.532 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.652 -5.888 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.427 -5.153 -4.773 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.123 -9.749 -2.346 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.068 -10.851 -2.332 1.00 0.00 C ATOM 1031 C LYS A 76 -12.713 -11.012 -0.959 1.00 0.00 C ATOM 1032 O LYS A 76 -12.070 -10.792 0.064 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.385 -12.147 -2.770 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.072 -12.436 -2.055 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.235 -13.470 -0.952 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.510 -14.853 -1.517 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.413 -15.322 -2.408 1.00 0.00 N ATOM 0 H LYS A 76 -10.365 -9.836 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.862 -10.623 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.068 -12.979 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.198 -12.101 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.337 -12.791 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.681 -11.512 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.331 -13.498 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.053 -13.176 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.638 -15.560 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.447 -14.837 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.528 -16.339 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.448 -14.799 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.496 -15.156 -1.947 1.00 0.00 H new ATOM 1047 N THR A 77 -13.989 -11.383 -0.939 1.00 0.00 N ATOM 1048 CA THR A 77 -14.687 -11.582 0.318 1.00 0.00 C ATOM 1049 C THR A 77 -14.353 -12.954 0.870 1.00 0.00 C ATOM 1050 O THR A 77 -14.308 -13.941 0.120 1.00 0.00 O ATOM 1051 CB THR A 77 -16.224 -11.453 0.185 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.818 -11.500 1.484 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.808 -12.575 -0.661 1.00 0.00 C ATOM 0 H THR A 77 -14.553 -11.550 -1.772 1.00 0.00 H new ATOM 0 HA THR A 77 -14.352 -10.795 0.994 1.00 0.00 H new ATOM 0 HB THR A 77 -16.439 -10.503 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.223 -11.068 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.889 -12.452 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.372 -12.542 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.582 -13.535 -0.198 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.129 -13.003 2.177 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.786 -14.239 2.867 1.00 0.00 C ATOM 1063 C VAL A 78 -15.012 -15.121 3.075 1.00 0.00 C ATOM 1064 O VAL A 78 -14.905 -16.239 3.581 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.122 -13.953 4.230 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.819 -13.195 4.033 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.061 -13.175 5.141 1.00 0.00 C ATOM 0 H VAL A 78 -14.180 -12.188 2.788 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.077 -14.769 2.231 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.902 -14.907 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.361 -13.000 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.139 -13.792 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.021 -12.249 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.569 -12.986 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.319 -12.226 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.968 -13.755 5.309 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.178 -14.608 2.701 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.412 -15.368 2.827 1.00 0.00 C ATOM 1079 C ASP A 79 -17.432 -16.515 1.826 1.00 0.00 C ATOM 1080 O ASP A 79 -17.961 -17.591 2.105 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.636 -14.472 2.615 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.928 -13.589 3.812 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.565 -14.073 4.769 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.538 -12.403 3.797 1.00 0.00 O ATOM 0 H ASP A 79 -16.293 -13.673 2.310 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.453 -15.774 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.475 -13.846 1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.506 -15.095 2.407 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.838 -16.284 0.663 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.804 -17.312 -0.360 1.00 0.00 C ATOM 1090 C GLY A 80 -15.557 -17.255 -1.224 1.00 0.00 C ATOM 1091 O GLY A 80 -15.230 -18.223 -1.910 1.00 0.00 O ATOM 0 H GLY A 80 -16.381 -15.408 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.864 -18.291 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.684 -17.212 -0.996 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.856 -16.126 -1.198 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.661 -15.983 -2.001 1.00 0.00 C ATOM 1097 C GLY A 81 -13.964 -15.342 -3.333 1.00 0.00 C ATOM 1098 O GLY A 81 -13.165 -15.403 -4.263 1.00 0.00 O ATOM 0 H GLY A 81 -15.096 -15.310 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.930 -15.379 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.210 -16.962 -2.161 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.128 -14.727 -3.417 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.568 -14.081 -4.650 1.00 0.00 C ATOM 1104 C PHE A 82 -15.611 -12.584 -4.447 1.00 0.00 C ATOM 1105 O PHE A 82 -15.764 -12.147 -3.312 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.948 -14.608 -5.077 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.989 -14.567 -3.993 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.750 -13.427 -3.782 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.207 -15.670 -3.188 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.705 -13.392 -2.785 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.159 -15.640 -2.190 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.908 -14.501 -1.986 1.00 0.00 C ATOM 0 H PHE A 82 -15.792 -14.658 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.860 -14.314 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.301 -14.022 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.840 -15.636 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.594 -12.558 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.625 -16.566 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.292 -12.499 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.317 -16.509 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.652 -14.475 -1.203 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.469 -11.804 -5.519 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.510 -10.347 -5.410 1.00 0.00 C ATOM 1123 C ARG A 83 -15.104 -9.671 -6.714 1.00 0.00 C ATOM 1124 O ARG A 83 -15.107 -10.296 -7.778 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.594 -9.875 -4.301 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.179 -8.785 -3.418 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.263 -9.332 -2.508 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.570 -9.361 -3.158 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.722 -9.102 -2.536 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.727 -8.713 -1.265 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.865 -9.207 -3.194 1.00 0.00 N ATOM 0 H ARG A 83 -15.326 -12.154 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.540 -10.071 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.332 -10.729 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.668 -9.508 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.388 -8.338 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.591 -7.992 -4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.994 -10.340 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.321 -8.721 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.605 -9.594 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.847 -8.611 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.611 -8.517 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.865 -9.486 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.746 -9.009 -2.720 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.715 -8.399 -6.606 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.344 -7.584 -7.757 1.00 0.00 C ATOM 1144 C GLU A 84 -12.947 -7.006 -7.574 1.00 0.00 C ATOM 1145 O GLU A 84 -12.254 -7.332 -6.616 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.334 -6.421 -7.902 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.798 -6.804 -7.727 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.245 -7.898 -8.678 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.040 -7.754 -9.901 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.807 -8.908 -8.208 1.00 0.00 O ATOM 0 H GLU A 84 -14.649 -7.907 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.363 -8.215 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.083 -5.655 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.205 -5.973 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.961 -7.134 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.419 -5.921 -7.880 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.536 -6.150 -8.500 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.238 -5.491 -8.413 1.00 0.00 C ATOM 1157 C ARG A 85 -11.446 -4.084 -7.863 1.00 0.00 C ATOM 1158 O ARG A 85 -12.539 -3.530 -7.993 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.558 -5.427 -9.783 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.105 -4.978 -9.717 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.541 -4.671 -11.093 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.126 -4.305 -11.028 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.639 -3.115 -11.388 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.460 -2.133 -11.743 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.329 -2.906 -11.359 1.00 0.00 N ATOM 0 H ARG A 85 -13.083 -5.895 -9.322 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.588 -6.063 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.606 -6.411 -10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.113 -4.742 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.028 -4.091 -9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.506 -5.757 -9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.663 -5.541 -11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.107 -3.857 -11.545 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.468 -5.005 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.468 -2.286 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.082 -1.226 -12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.700 -3.652 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.951 -1.999 -11.633 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.416 -3.502 -7.256 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.549 -2.162 -6.679 1.00 0.00 C ATOM 1178 C GLN A 86 -9.184 -1.525 -6.395 1.00 0.00 C ATOM 1179 O GLN A 86 -8.155 -2.200 -6.397 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.374 -2.254 -5.389 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.810 -0.911 -4.818 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.632 -1.051 -3.549 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.376 -2.139 -3.435 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.594 -0.191 -2.674 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.494 -3.925 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.056 -1.523 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.261 -2.857 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.789 -2.781 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.928 -0.306 -4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.394 -0.375 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.009 0.635 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.148 -0.303 -1.825 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.184 -0.222 -6.151 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.956 0.482 -5.858 1.00 0.00 C ATOM 1193 C GLY A 87 -8.118 1.421 -4.682 1.00 0.00 C ATOM 1194 O GLY A 87 -9.181 2.015 -4.500 1.00 0.00 O ATOM 0 H GLY A 87 -10.020 0.362 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.166 -0.238 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.642 1.048 -6.735 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.075 1.550 -3.877 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.105 2.426 -2.715 1.00 0.00 C ATOM 1200 C ILE A 88 -5.964 3.441 -2.786 1.00 0.00 C ATOM 1201 O ILE A 88 -4.846 3.113 -3.196 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.032 1.619 -1.392 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.016 2.565 -0.187 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.813 0.704 -1.377 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.046 1.852 1.150 1.00 0.00 C ATOM 0 H ILE A 88 -6.192 1.056 -4.008 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.055 2.961 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.922 0.993 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.122 3.187 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.874 3.234 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.786 0.150 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.873 0.004 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.907 1.303 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.032 2.587 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.953 1.252 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.174 1.204 1.236 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.261 4.680 -2.420 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.267 5.746 -2.447 1.00 0.00 C ATOM 1218 C ASP A 89 -4.352 5.653 -1.238 1.00 0.00 C ATOM 1219 O ASP A 89 -4.820 5.553 -0.104 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.943 7.121 -2.476 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.793 7.330 -3.710 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -6.251 7.758 -4.751 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -8.009 7.058 -3.654 1.00 0.00 O ATOM 0 H ASP A 89 -7.184 4.973 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.674 5.627 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.565 7.234 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.179 7.897 -2.431 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.051 5.686 -1.480 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.075 5.609 -0.404 1.00 0.00 C ATOM 1229 C LEU A 90 -1.564 6.993 -0.058 1.00 0.00 C ATOM 1230 O LEU A 90 -0.366 7.215 0.119 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.914 4.718 -0.796 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.302 3.312 -1.221 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.051 2.517 -1.491 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.164 2.643 -0.160 1.00 0.00 C ATOM 0 H LEU A 90 -2.646 5.766 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.566 5.180 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.371 5.192 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.226 4.650 0.047 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.896 3.360 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.321 1.506 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.520 2.996 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.554 2.473 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.429 1.638 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.609 2.585 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.072 3.226 -0.008 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.495 7.912 0.055 1.00 0.00 N ATOM 1246 CA ASN A 91 -2.187 9.302 0.375 1.00 0.00 C ATOM 1247 C ASN A 91 -1.933 9.450 1.873 1.00 0.00 C ATOM 1248 O ASN A 91 -1.711 10.551 2.377 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.345 10.222 -0.044 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.525 10.369 -1.553 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.116 9.371 -2.329 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -4.037 11.387 -2.022 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.490 7.725 -0.071 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.291 9.591 -0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.271 9.837 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.182 11.210 0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.342 12.137 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.156 11.480 -3.031 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.969 8.328 2.578 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.764 8.317 4.019 1.00 0.00 C ATOM 1260 C ARG A 92 -0.362 7.859 4.399 1.00 0.00 C ATOM 1261 O ARG A 92 -0.033 7.774 5.580 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.779 7.397 4.685 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.211 7.869 4.563 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.059 7.296 5.676 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.684 7.848 6.976 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.542 8.071 7.969 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.839 7.854 7.797 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.102 8.538 9.129 1.00 0.00 N ATOM 0 H ARG A 92 -2.139 7.408 2.172 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.893 9.342 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.696 6.403 4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.528 7.300 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.244 8.958 4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.617 7.568 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.110 7.508 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.951 6.212 5.695 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.702 8.077 7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.185 7.514 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.491 8.027 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.108 8.726 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.758 8.710 9.891 1.00 0.00 H new ATOM 1279 N ILE A 93 0.462 7.545 3.417 1.00 0.00 N ATOM 1280 CA ILE A 93 1.813 7.085 3.703 1.00 0.00 C ATOM 1281 C ILE A 93 2.815 8.182 3.350 1.00 0.00 C ATOM 1282 O ILE A 93 2.948 8.569 2.187 1.00 0.00 O ATOM 1283 CB ILE A 93 2.133 5.768 2.951 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.974 4.780 3.111 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.416 5.131 3.474 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.626 4.488 4.557 1.00 0.00 C ATOM 0 H ILE A 93 0.227 7.598 2.426 1.00 0.00 H new ATOM 0 HA ILE A 93 1.890 6.869 4.769 1.00 0.00 H new ATOM 0 HB ILE A 93 2.271 6.009 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.094 5.179 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.231 3.846 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.614 4.209 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.248 5.821 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.305 4.907 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.203 3.781 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.493 4.059 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.338 5.413 5.056 1.00 0.00 H new ATOM 1297 N GLN A 94 3.497 8.697 4.363 1.00 0.00 N ATOM 1298 CA GLN A 94 4.460 9.773 4.174 1.00 0.00 C ATOM 1299 C GLN A 94 5.818 9.395 4.752 1.00 0.00 C ATOM 1300 O GLN A 94 5.907 8.699 5.762 1.00 0.00 O ATOM 1301 CB GLN A 94 3.942 11.043 4.855 1.00 0.00 C ATOM 1302 CG GLN A 94 4.797 12.287 4.632 1.00 0.00 C ATOM 1303 CD GLN A 94 4.624 12.892 3.250 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.724 13.700 3.032 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.506 12.552 2.320 1.00 0.00 N ATOM 0 H GLN A 94 3.401 8.385 5.329 1.00 0.00 H new ATOM 0 HA GLN A 94 4.581 9.950 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.933 11.245 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.868 10.858 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.542 13.035 5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.846 12.030 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.240 11.878 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.450 12.965 1.389 1.00 0.00 H new ATOM 1312 N ASN A 95 6.869 9.840 4.089 1.00 0.00 N ATOM 1313 CA ASN A 95 8.227 9.583 4.533 1.00 0.00 C ATOM 1314 C ASN A 95 8.746 10.760 5.359 1.00 0.00 C ATOM 1315 O ASN A 95 9.141 11.795 4.823 1.00 0.00 O ATOM 1316 CB ASN A 95 9.157 9.327 3.333 1.00 0.00 C ATOM 1317 CG ASN A 95 9.109 10.424 2.275 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.061 11.022 2.019 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.247 10.705 1.661 1.00 0.00 N ATOM 0 H ASN A 95 6.807 10.388 3.231 1.00 0.00 H new ATOM 0 HA ASN A 95 8.218 8.689 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.181 9.226 3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.887 8.377 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.276 11.437 0.951 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.095 10.190 1.898 1.00 0.00 H new ATOM 1325 N VAL A 96 8.748 10.591 6.668 1.00 0.00 N ATOM 1326 CA VAL A 96 9.223 11.623 7.575 1.00 0.00 C ATOM 1327 C VAL A 96 10.730 11.489 7.746 1.00 0.00 C ATOM 1328 O VAL A 96 11.206 10.530 8.356 1.00 0.00 O ATOM 1329 CB VAL A 96 8.533 11.531 8.954 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.005 12.651 9.872 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.017 11.560 8.799 1.00 0.00 C ATOM 0 H VAL A 96 8.424 9.742 7.131 1.00 0.00 H new ATOM 0 HA VAL A 96 8.978 12.594 7.144 1.00 0.00 H new ATOM 0 HB VAL A 96 8.811 10.581 9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.505 12.565 10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.083 12.575 10.014 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.765 13.615 9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.549 11.494 9.781 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.718 12.491 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.698 10.716 8.188 1.00 0.00 H new ATOM 1341 N ASN A 97 11.474 12.440 7.184 1.00 0.00 N ATOM 1342 CA ASN A 97 12.935 12.428 7.246 1.00 0.00 C ATOM 1343 C ASN A 97 13.491 11.142 6.648 1.00 0.00 C ATOM 1344 O ASN A 97 14.526 10.638 7.080 1.00 0.00 O ATOM 1345 CB ASN A 97 13.430 12.597 8.685 1.00 0.00 C ATOM 1346 CG ASN A 97 13.409 14.040 9.146 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.284 14.476 9.682 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.398 14.759 9.010 1.00 0.00 N flip ATOM 0 H ASN A 97 11.085 13.235 6.677 1.00 0.00 H new ATOM 0 HA ASN A 97 13.297 13.272 6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.809 11.998 9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.446 12.210 8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.248 14.383 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.368 15.731 9.317 1.00 0.00 H new ATOM 1354 N GLY A 98 12.787 10.609 5.664 1.00 0.00 N ATOM 1355 CA GLY A 98 13.227 9.390 5.021 1.00 0.00 C ATOM 1356 C GLY A 98 12.583 8.150 5.608 1.00 0.00 C ATOM 1357 O GLY A 98 12.561 7.103 4.969 1.00 0.00 O ATOM 0 H GLY A 98 11.918 10.998 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.998 9.443 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.310 9.308 5.111 1.00 0.00 H new ATOM 1361 N ARG A 99 12.045 8.265 6.817 1.00 0.00 N ATOM 1362 CA ARG A 99 11.406 7.132 7.476 1.00 0.00 C ATOM 1363 C ARG A 99 9.952 7.040 7.042 1.00 0.00 C ATOM 1364 O ARG A 99 9.196 7.997 7.177 1.00 0.00 O ATOM 1365 CB ARG A 99 11.460 7.257 9.007 1.00 0.00 C ATOM 1366 CG ARG A 99 12.855 7.211 9.619 1.00 0.00 C ATOM 1367 CD ARG A 99 13.604 8.524 9.451 1.00 0.00 C ATOM 1368 NE ARG A 99 14.452 8.818 10.605 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.489 9.650 10.580 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.851 10.234 9.449 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.164 9.902 11.691 1.00 0.00 N ATOM 0 H ARG A 99 12.038 9.129 7.359 1.00 0.00 H new ATOM 0 HA ARG A 99 11.950 6.234 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.987 8.196 9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.865 6.454 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.776 6.974 10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.427 6.407 9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.218 8.480 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.889 9.335 9.310 1.00 0.00 H new ATOM 0 HE ARG A 99 14.234 8.355 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.334 10.047 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.647 10.871 9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.889 9.458 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.959 10.540 11.671 1.00 0.00 H new ATOM 1382 N LEU A 100 9.560 5.893 6.519 1.00 0.00 N ATOM 1383 CA LEU A 100 8.193 5.711 6.068 1.00 0.00 C ATOM 1384 C LEU A 100 7.276 5.511 7.269 1.00 0.00 C ATOM 1385 O LEU A 100 7.425 4.550 8.022 1.00 0.00 O ATOM 1386 CB LEU A 100 8.100 4.518 5.117 1.00 0.00 C ATOM 1387 CG LEU A 100 7.120 4.703 3.960 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.532 5.889 3.110 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.050 3.441 3.113 1.00 0.00 C ATOM 0 H LEU A 100 10.163 5.080 6.397 1.00 0.00 H new ATOM 0 HA LEU A 100 7.876 6.603 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.090 4.317 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.806 3.637 5.688 1.00 0.00 H new ATOM 0 HG LEU A 100 6.129 4.895 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.826 6.011 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.536 6.791 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.531 5.719 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.347 3.591 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.037 3.219 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.715 2.607 3.730 1.00 0.00 H new ATOM 1400 N VAL A 101 6.349 6.439 7.461 1.00 0.00 N ATOM 1401 CA VAL A 101 5.424 6.377 8.581 1.00 0.00 C ATOM 1402 C VAL A 101 3.989 6.584 8.105 1.00 0.00 C ATOM 1403 O VAL A 101 3.737 7.365 7.186 1.00 0.00 O ATOM 1404 CB VAL A 101 5.761 7.455 9.641 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.852 7.333 10.857 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.224 7.369 10.059 1.00 0.00 C ATOM 0 H VAL A 101 6.218 7.247 6.852 1.00 0.00 H new ATOM 0 HA VAL A 101 5.522 5.389 9.031 1.00 0.00 H new ATOM 0 HB VAL A 101 5.590 8.431 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.112 8.102 11.584 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.814 7.460 10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.979 6.349 11.309 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.435 8.136 10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.424 6.386 10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.861 7.524 9.188 1.00 0.00 H new ATOM 1416 N PHE A 102 3.057 5.869 8.721 1.00 0.00 N ATOM 1417 CA PHE A 102 1.652 5.999 8.382 1.00 0.00 C ATOM 1418 C PHE A 102 1.077 7.246 9.040 1.00 0.00 C ATOM 1419 O PHE A 102 1.332 7.516 10.216 1.00 0.00 O ATOM 1420 CB PHE A 102 0.864 4.760 8.821 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.611 5.019 8.975 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.434 5.152 7.867 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.168 5.147 10.237 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.778 5.411 8.017 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.514 5.404 10.392 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.319 5.536 9.280 1.00 0.00 C ATOM 0 H PHE A 102 3.252 5.193 9.459 1.00 0.00 H new ATOM 0 HA PHE A 102 1.565 6.089 7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.012 3.965 8.090 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.264 4.400 9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.017 5.051 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.541 5.044 11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.408 5.516 7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.936 5.502 11.381 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.373 5.737 9.398 1.00 0.00 H new ATOM 1435 N GLN A 103 0.308 7.996 8.279 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.303 9.210 8.777 1.00 0.00 C ATOM 1437 C GLN A 103 -1.816 9.133 8.633 1.00 0.00 C ATOM 1438 O GLN A 103 -2.517 9.135 9.667 1.00 0.00 O ATOM 1439 CB GLN A 103 0.242 10.421 8.014 1.00 0.00 C ATOM 1440 CG GLN A 103 0.024 11.750 8.724 1.00 0.00 C ATOM 1441 CD GLN A 103 1.061 12.028 9.806 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.595 10.984 10.424 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 1.382 13.182 10.084 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.303 9.045 7.488 1.00 0.00 O ATOM 0 H GLN A 103 0.090 7.784 7.305 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.059 9.321 9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.310 10.281 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.232 10.463 7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.049 12.555 7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.970 11.757 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.952 13.964 9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.078 13.357 10.809 1.00 0.00 H new