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 54 ASN :FLIP amide:sc= 1.14 F(o=1,f=2) USER MOD Set 1.2: A 57 HIS : no HD1:sc= 0.909 K(o=2,f=-3.8!) USER MOD Set 2.1: A 43 ASN : amide:sc= -0.991! C(o=-1.8!,f=-6.2!) USER MOD Set 2.2: A 59 SER OG : rot 83:sc= 0.616 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -1.4 USER MOD Set 3.1: A 7 SER OG : rot 84:sc= 0.917 USER MOD Set 3.2: A 23 CYS SG : rot 46:sc= -3.99! USER MOD Set 4.1: A 14 ASN : amide:sc= 1.19 K(o=3.1,f=0.48) USER MOD Set 4.2: A 18 THR OG1 : rot -89:sc= 1.94 USER MOD Single : A 2 SER OG : rot 30:sc= -3.57! USER MOD Single : A 3 TYR OH : rot 32:sc= 0.0839 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.85) USER MOD Single : A 13 THR OG1 : rot 165:sc= 0.696 USER MOD Single : A 25 ASN : amide:sc= -1.88! C(o=-1.9!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.288 K(o=0.29,f=-5.6!) USER MOD Single : A 32 THR OG1 : rot -28:sc= 1.27 USER MOD Single : A 33 SER OG : rot 163:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot -29:sc= 0.196 USER MOD Single : A 40 CYS SG : rot -170:sc= -0.748 USER MOD Single : A 45 ASN : amide:sc=-0.000146 X(o=-0.00015,f=-0.4) USER MOD Single : A 52 MET CE :methyl 176:sc= -0.302 (180deg=-0.332) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0291) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 1.17 (180deg=-0.376!) USER MOD Single : A 72 THR OG1 : rot 46:sc= 0.576 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0.635) USER MOD Single : A 77 THR OG1 : rot -138:sc= 1.25 USER MOD Single : A 86 GLN : amide:sc= -0.94! C(o=-0.94!,f=-3.8!) USER MOD Single : A 91 ASN :FLIP amide:sc=-0.00876 F(o=-1.5,f=-0.0088) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 95 ASN : amide:sc= -1.47 K(o=-1.5,f=-7.5!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.044 12.334 -0.904 1.00 0.00 N ATOM 17 CA SER A 2 2.454 11.068 -0.326 1.00 0.00 C ATOM 18 C SER A 2 3.966 10.915 -0.372 1.00 0.00 C ATOM 19 O SER A 2 4.670 11.802 -0.855 1.00 0.00 O ATOM 20 CB SER A 2 1.794 9.907 -1.060 1.00 0.00 C ATOM 21 OG SER A 2 0.403 10.114 -1.192 1.00 0.00 O ATOM 0 HA SER A 2 2.135 11.056 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.243 9.794 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.977 8.979 -0.518 1.00 0.00 H new ATOM 0 HG SER A 2 0.218 11.075 -1.239 1.00 0.00 H new ATOM 26 N TYR A 3 4.459 9.803 0.143 1.00 0.00 N ATOM 27 CA TYR A 3 5.890 9.530 0.155 1.00 0.00 C ATOM 28 C TYR A 3 6.469 9.541 -1.262 1.00 0.00 C ATOM 29 O TYR A 3 7.576 10.027 -1.483 1.00 0.00 O ATOM 30 CB TYR A 3 6.157 8.170 0.812 1.00 0.00 C ATOM 31 CG TYR A 3 5.635 6.988 0.014 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.279 6.691 -0.025 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.503 6.178 -0.711 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.802 5.626 -0.762 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.033 5.108 -1.448 1.00 0.00 C ATOM 36 CZ TYR A 3 4.683 4.837 -1.470 1.00 0.00 C ATOM 37 OH TYR A 3 4.210 3.780 -2.210 1.00 0.00 O ATOM 0 H TYR A 3 3.888 9.069 0.561 1.00 0.00 H new ATOM 0 HA TYR A 3 6.379 10.317 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.231 8.052 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.699 8.159 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.585 7.304 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.562 6.389 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.744 5.412 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.721 4.488 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 3 3.317 3.994 -2.552 1.00 0.00 H new ATOM 46 N ALA A 4 5.687 9.035 -2.221 1.00 0.00 N ATOM 47 CA ALA A 4 6.107 8.941 -3.623 1.00 0.00 C ATOM 48 C ALA A 4 6.514 10.291 -4.204 1.00 0.00 C ATOM 49 O ALA A 4 7.250 10.353 -5.186 1.00 0.00 O ATOM 50 CB ALA A 4 4.993 8.324 -4.460 1.00 0.00 C ATOM 0 H ALA A 4 4.747 8.680 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 4 6.989 8.301 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.313 8.258 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.767 7.326 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.101 8.947 -4.394 1.00 0.00 H new ATOM 56 N ASP A 5 6.051 11.367 -3.585 1.00 0.00 N ATOM 57 CA ASP A 5 6.361 12.707 -4.034 1.00 0.00 C ATOM 58 C ASP A 5 7.808 13.076 -3.701 1.00 0.00 C ATOM 59 O ASP A 5 8.314 14.110 -4.135 1.00 0.00 O ATOM 60 CB ASP A 5 5.386 13.684 -3.389 1.00 0.00 C ATOM 61 CG ASP A 5 3.974 13.518 -3.908 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.237 12.666 -3.369 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.590 14.232 -4.858 1.00 0.00 O ATOM 0 H ASP A 5 5.452 11.331 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 5 6.257 12.757 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.392 13.539 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.721 14.704 -3.576 1.00 0.00 H new ATOM 67 N SER A 6 8.461 12.234 -2.906 1.00 0.00 N ATOM 68 CA SER A 6 9.850 12.433 -2.522 1.00 0.00 C ATOM 69 C SER A 6 10.527 11.077 -2.334 1.00 0.00 C ATOM 70 O SER A 6 11.451 10.929 -1.536 1.00 0.00 O ATOM 71 CB SER A 6 9.931 13.257 -1.237 1.00 0.00 C ATOM 72 OG SER A 6 9.301 14.514 -1.407 1.00 0.00 O ATOM 0 H SER A 6 8.039 11.394 -2.510 1.00 0.00 H new ATOM 0 HA SER A 6 10.367 12.980 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.455 12.714 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.975 13.403 -0.958 1.00 0.00 H new ATOM 0 HG SER A 6 9.362 15.026 -0.573 1.00 0.00 H new ATOM 77 N SER A 7 10.042 10.089 -3.074 1.00 0.00 N ATOM 78 CA SER A 7 10.575 8.739 -3.007 1.00 0.00 C ATOM 79 C SER A 7 10.560 8.115 -4.396 1.00 0.00 C ATOM 80 O SER A 7 9.895 8.624 -5.300 1.00 0.00 O ATOM 81 CB SER A 7 9.757 7.883 -2.037 1.00 0.00 C ATOM 82 OG SER A 7 9.713 8.470 -0.745 1.00 0.00 O ATOM 0 H SER A 7 9.272 10.202 -3.734 1.00 0.00 H new ATOM 0 HA SER A 7 11.601 8.784 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.743 7.763 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.193 6.886 -1.972 1.00 0.00 H new ATOM 0 HG SER A 7 8.995 9.136 -0.713 1.00 0.00 H new ATOM 87 N ARG A 8 11.292 7.028 -4.564 1.00 0.00 N ATOM 88 CA ARG A 8 11.359 6.346 -5.846 1.00 0.00 C ATOM 89 C ARG A 8 11.559 4.852 -5.640 1.00 0.00 C ATOM 90 O ARG A 8 11.893 4.417 -4.536 1.00 0.00 O ATOM 91 CB ARG A 8 12.513 6.915 -6.669 1.00 0.00 C ATOM 92 CG ARG A 8 13.877 6.660 -6.045 1.00 0.00 C ATOM 93 CD ARG A 8 14.965 7.483 -6.712 1.00 0.00 C ATOM 94 NE ARG A 8 14.982 7.314 -8.162 1.00 0.00 N ATOM 95 CZ ARG A 8 15.935 6.659 -8.824 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.907 6.047 -8.161 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.916 6.611 -10.149 1.00 0.00 N ATOM 0 H ARG A 8 11.850 6.597 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 8 10.421 6.502 -6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.490 6.477 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.370 7.989 -6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.841 6.899 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.121 5.601 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.817 8.536 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.935 7.197 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 8 14.218 7.722 -8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.926 6.077 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.635 5.546 -8.670 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.170 7.077 -10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.648 6.108 -10.652 1.00 0.00 H new ATOM 108 N ASN A 9 11.349 4.079 -6.706 1.00 0.00 N ATOM 109 CA ASN A 9 11.521 2.627 -6.675 1.00 0.00 C ATOM 110 C ASN A 9 10.635 1.983 -5.615 1.00 0.00 C ATOM 111 O ASN A 9 11.119 1.293 -4.718 1.00 0.00 O ATOM 112 CB ASN A 9 12.993 2.261 -6.435 1.00 0.00 C ATOM 113 CG ASN A 9 13.887 2.678 -7.589 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.463 2.689 -8.745 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.128 3.026 -7.287 1.00 0.00 N ATOM 0 H ASN A 9 11.056 4.441 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 9 11.217 2.238 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.339 2.740 -5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.077 1.185 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.770 3.316 -8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.442 3.004 -6.317 1.00 0.00 H new ATOM 121 N ALA A 10 9.334 2.217 -5.726 1.00 0.00 N ATOM 122 CA ALA A 10 8.376 1.661 -4.783 1.00 0.00 C ATOM 123 C ALA A 10 7.900 0.288 -5.237 1.00 0.00 C ATOM 124 O ALA A 10 7.438 0.117 -6.369 1.00 0.00 O ATOM 125 CB ALA A 10 7.197 2.602 -4.609 1.00 0.00 C ATOM 0 H ALA A 10 8.919 2.789 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 10 8.874 1.545 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.489 2.172 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.550 3.562 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.704 2.749 -5.570 1.00 0.00 H new ATOM 131 N VAL A 11 8.032 -0.687 -4.356 1.00 0.00 N ATOM 132 CA VAL A 11 7.620 -2.053 -4.645 1.00 0.00 C ATOM 133 C VAL A 11 6.724 -2.584 -3.533 1.00 0.00 C ATOM 134 O VAL A 11 6.541 -1.931 -2.503 1.00 0.00 O ATOM 135 CB VAL A 11 8.834 -2.998 -4.800 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.773 -2.512 -5.892 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.580 -3.150 -3.482 1.00 0.00 C ATOM 0 H VAL A 11 8.426 -0.558 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 11 7.073 -2.029 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 11 8.454 -3.977 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.617 -3.197 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.239 -2.474 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.138 -1.516 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.429 -3.820 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.937 -2.175 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.909 -3.565 -2.730 1.00 0.00 H new ATOM 147 N LEU A 12 6.187 -3.778 -3.741 1.00 0.00 N ATOM 148 CA LEU A 12 5.307 -4.406 -2.768 1.00 0.00 C ATOM 149 C LEU A 12 6.040 -5.536 -2.058 1.00 0.00 C ATOM 150 O LEU A 12 6.393 -6.546 -2.676 1.00 0.00 O ATOM 151 CB LEU A 12 4.042 -4.956 -3.448 1.00 0.00 C ATOM 152 CG LEU A 12 3.019 -3.916 -3.928 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.667 -2.952 -2.806 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.531 -3.164 -5.146 1.00 0.00 C ATOM 0 H LEU A 12 6.347 -4.334 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 12 5.009 -3.652 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.348 -5.556 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.544 -5.629 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 12 2.113 -4.446 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.941 -2.223 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.240 -3.507 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.567 -2.434 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.786 -2.435 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.458 -2.649 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.717 -3.868 -5.957 1.00 0.00 H new ATOM 165 N THR A 13 6.261 -5.372 -0.764 1.00 0.00 N ATOM 166 CA THR A 13 6.961 -6.374 0.019 1.00 0.00 C ATOM 167 C THR A 13 6.022 -7.049 1.014 1.00 0.00 C ATOM 168 O THR A 13 4.867 -6.631 1.180 1.00 0.00 O ATOM 169 CB THR A 13 8.164 -5.759 0.762 1.00 0.00 C ATOM 170 OG1 THR A 13 7.758 -4.593 1.487 1.00 0.00 O ATOM 171 CG2 THR A 13 9.275 -5.395 -0.214 1.00 0.00 C ATOM 0 H THR A 13 5.965 -4.553 -0.234 1.00 0.00 H new ATOM 0 HA THR A 13 7.332 -7.129 -0.675 1.00 0.00 H new ATOM 0 HB THR A 13 8.544 -6.503 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.452 -4.353 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.113 -4.963 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.607 -6.291 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.901 -4.670 -0.937 1.00 0.00 H new ATOM 179 N ASN A 14 6.519 -8.107 1.654 1.00 0.00 N ATOM 180 CA ASN A 14 5.749 -8.867 2.638 1.00 0.00 C ATOM 181 C ASN A 14 4.444 -9.393 2.046 1.00 0.00 C ATOM 182 O ASN A 14 3.396 -9.356 2.690 1.00 0.00 O ATOM 183 CB ASN A 14 5.466 -8.015 3.881 1.00 0.00 C ATOM 184 CG ASN A 14 6.688 -7.841 4.767 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.538 -8.727 4.861 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.782 -6.701 5.425 1.00 0.00 N ATOM 0 H ASN A 14 7.464 -8.461 1.506 1.00 0.00 H new ATOM 0 HA ASN A 14 6.352 -9.726 2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.106 -7.034 3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.667 -8.479 4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.579 -6.530 6.037 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.057 -5.991 5.321 1.00 0.00 H new ATOM 192 N GLY A 15 4.510 -9.856 0.804 1.00 0.00 N ATOM 193 CA GLY A 15 3.335 -10.395 0.143 1.00 0.00 C ATOM 194 C GLY A 15 2.556 -9.341 -0.613 1.00 0.00 C ATOM 195 O GLY A 15 1.785 -9.654 -1.521 1.00 0.00 O ATOM 0 H GLY A 15 5.360 -9.868 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.640 -11.181 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.686 -10.858 0.886 1.00 0.00 H new ATOM 199 N GLY A 16 2.768 -8.088 -0.247 1.00 0.00 N ATOM 200 CA GLY A 16 2.076 -6.999 -0.894 1.00 0.00 C ATOM 201 C GLY A 16 1.277 -6.181 0.091 1.00 0.00 C ATOM 202 O GLY A 16 0.194 -5.694 -0.220 1.00 0.00 O ATOM 0 H GLY A 16 3.412 -7.806 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.799 -6.357 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.411 -7.395 -1.662 1.00 0.00 H new ATOM 206 N ARG A 17 1.808 -6.046 1.295 1.00 0.00 N ATOM 207 CA ARG A 17 1.136 -5.282 2.333 1.00 0.00 C ATOM 208 C ARG A 17 2.051 -4.188 2.866 1.00 0.00 C ATOM 209 O ARG A 17 1.606 -3.251 3.531 1.00 0.00 O ATOM 210 CB ARG A 17 0.690 -6.212 3.464 1.00 0.00 C ATOM 211 CG ARG A 17 1.833 -6.814 4.267 1.00 0.00 C ATOM 212 CD ARG A 17 1.348 -7.963 5.136 1.00 0.00 C ATOM 213 NE ARG A 17 2.319 -8.323 6.165 1.00 0.00 N ATOM 214 CZ ARG A 17 2.771 -9.560 6.372 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.372 -10.559 5.598 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.619 -9.802 7.363 1.00 0.00 N ATOM 0 H ARG A 17 2.699 -6.454 1.577 1.00 0.00 H new ATOM 0 HA ARG A 17 0.253 -4.808 1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.040 -5.657 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.094 -7.020 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.609 -7.169 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.285 -6.045 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.406 -7.686 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.147 -8.831 4.509 1.00 0.00 H new ATOM 0 HE ARG A 17 2.675 -7.579 6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.715 -10.384 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.722 -11.503 5.762 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.926 -9.041 7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.964 -10.749 7.520 1.00 0.00 H new ATOM 227 N THR A 18 3.331 -4.314 2.559 1.00 0.00 N ATOM 228 CA THR A 18 4.319 -3.355 2.995 1.00 0.00 C ATOM 229 C THR A 18 4.906 -2.619 1.794 1.00 0.00 C ATOM 230 O THR A 18 5.156 -3.221 0.745 1.00 0.00 O ATOM 231 CB THR A 18 5.439 -4.058 3.779 1.00 0.00 C ATOM 232 OG1 THR A 18 4.859 -4.946 4.745 1.00 0.00 O ATOM 233 CG2 THR A 18 6.338 -3.056 4.487 1.00 0.00 C ATOM 0 H THR A 18 3.708 -5.082 2.003 1.00 0.00 H new ATOM 0 HA THR A 18 3.833 -2.632 3.650 1.00 0.00 H new ATOM 0 HB THR A 18 6.049 -4.618 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.712 -4.464 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.118 -3.588 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.795 -2.394 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.745 -2.466 5.187 1.00 0.00 H new ATOM 241 N LEU A 19 5.095 -1.321 1.943 1.00 0.00 N ATOM 242 CA LEU A 19 5.646 -0.499 0.879 1.00 0.00 C ATOM 243 C LEU A 19 7.144 -0.335 1.042 1.00 0.00 C ATOM 244 O LEU A 19 7.601 0.274 2.007 1.00 0.00 O ATOM 245 CB LEU A 19 4.992 0.880 0.873 1.00 0.00 C ATOM 246 CG LEU A 19 3.557 0.925 0.362 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.021 2.344 0.441 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.479 0.396 -1.064 1.00 0.00 C ATOM 0 H LEU A 19 4.873 -0.809 2.797 1.00 0.00 H new ATOM 0 HA LEU A 19 5.442 -1.003 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.010 1.275 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.598 1.547 0.260 1.00 0.00 H new ATOM 0 HG LEU A 19 2.940 0.285 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.995 2.366 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.043 2.684 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.640 3.001 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.446 0.436 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.104 1.008 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.830 -0.636 -1.089 1.00 0.00 H new ATOM 259 N ARG A 20 7.904 -0.888 0.114 1.00 0.00 N ATOM 260 CA ARG A 20 9.348 -0.766 0.158 1.00 0.00 C ATOM 261 C ARG A 20 9.781 0.183 -0.945 1.00 0.00 C ATOM 262 O ARG A 20 9.537 -0.077 -2.123 1.00 0.00 O ATOM 263 CB ARG A 20 10.004 -2.145 -0.009 1.00 0.00 C ATOM 264 CG ARG A 20 11.487 -2.181 0.333 1.00 0.00 C ATOM 265 CD ARG A 20 12.354 -1.678 -0.807 1.00 0.00 C ATOM 266 NE ARG A 20 12.504 -2.661 -1.878 1.00 0.00 N ATOM 267 CZ ARG A 20 13.238 -2.461 -2.976 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.855 -1.298 -3.168 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.342 -3.422 -3.885 1.00 0.00 N ATOM 0 H ARG A 20 7.546 -1.424 -0.676 1.00 0.00 H new ATOM 0 HA ARG A 20 9.664 -0.369 1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.480 -2.862 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.873 -2.474 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.668 -1.573 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.775 -3.202 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.918 -0.766 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.339 -1.415 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 20 12.019 -3.553 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.769 -0.554 -2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.414 -1.150 -4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.862 -4.311 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.902 -3.272 -4.724 1.00 0.00 H new ATOM 280 N ALA A 21 10.418 1.278 -0.567 1.00 0.00 N ATOM 281 CA ALA A 21 10.863 2.266 -1.534 1.00 0.00 C ATOM 282 C ALA A 21 12.058 3.047 -1.018 1.00 0.00 C ATOM 283 O ALA A 21 12.389 2.990 0.171 1.00 0.00 O ATOM 284 CB ALA A 21 9.724 3.221 -1.860 1.00 0.00 C ATOM 0 H ALA A 21 10.639 1.505 0.403 1.00 0.00 H new ATOM 0 HA ALA A 21 11.169 1.739 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.065 3.959 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.888 2.661 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.403 3.728 -0.950 1.00 0.00 H new ATOM 290 N GLU A 22 12.694 3.778 -1.917 1.00 0.00 N ATOM 291 CA GLU A 22 13.828 4.610 -1.566 1.00 0.00 C ATOM 292 C GLU A 22 13.280 5.968 -1.180 1.00 0.00 C ATOM 293 O GLU A 22 12.832 6.728 -2.041 1.00 0.00 O ATOM 294 CB GLU A 22 14.782 4.749 -2.755 1.00 0.00 C ATOM 295 CG GLU A 22 15.231 3.416 -3.328 1.00 0.00 C ATOM 296 CD GLU A 22 16.235 2.699 -2.450 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.445 2.965 -2.596 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.827 1.849 -1.633 1.00 0.00 O ATOM 0 H GLU A 22 12.440 3.811 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 22 14.389 4.165 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.292 5.326 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.659 5.316 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.360 2.777 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.670 3.580 -4.312 1.00 0.00 H new ATOM 303 N CYS A 23 13.284 6.262 0.106 1.00 0.00 N ATOM 304 CA CYS A 23 12.740 7.514 0.587 1.00 0.00 C ATOM 305 C CYS A 23 13.843 8.535 0.780 1.00 0.00 C ATOM 306 O CYS A 23 14.897 8.224 1.334 1.00 0.00 O ATOM 307 CB CYS A 23 12.003 7.276 1.902 1.00 0.00 C ATOM 308 SG CYS A 23 10.854 5.881 1.849 1.00 0.00 S ATOM 0 H CYS A 23 13.657 5.652 0.833 1.00 0.00 H new ATOM 0 HA CYS A 23 12.041 7.905 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.734 7.103 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.453 8.178 2.168 1.00 0.00 H new ATOM 0 HG CYS A 23 11.434 4.862 1.288 1.00 0.00 H new ATOM 313 N ARG A 24 13.617 9.741 0.291 1.00 0.00 N ATOM 314 CA ARG A 24 14.586 10.797 0.432 1.00 0.00 C ATOM 315 C ARG A 24 14.551 11.343 1.850 1.00 0.00 C ATOM 316 O ARG A 24 13.532 11.871 2.298 1.00 0.00 O ATOM 317 CB ARG A 24 14.288 11.903 -0.567 1.00 0.00 C ATOM 318 CG ARG A 24 15.529 12.623 -1.040 1.00 0.00 C ATOM 319 CD ARG A 24 15.215 13.526 -2.213 1.00 0.00 C ATOM 320 NE ARG A 24 14.597 14.781 -1.787 1.00 0.00 N ATOM 321 CZ ARG A 24 13.533 15.337 -2.369 1.00 0.00 C ATOM 322 NH1 ARG A 24 12.962 14.765 -3.427 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.049 16.479 -1.900 1.00 0.00 N ATOM 0 H ARG A 24 12.768 10.007 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 24 15.582 10.402 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.771 11.478 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.609 12.623 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.946 13.213 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.288 11.896 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.132 13.741 -2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.547 13.008 -2.901 1.00 0.00 H new ATOM 0 HE ARG A 24 15.008 15.265 -0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.338 13.893 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.149 15.199 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.490 16.929 -1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.236 16.908 -2.342 1.00 0.00 H new ATOM 334 N ASN A 25 15.654 11.189 2.565 1.00 0.00 N ATOM 335 CA ASN A 25 15.728 11.681 3.930 1.00 0.00 C ATOM 336 C ASN A 25 16.043 13.169 3.917 1.00 0.00 C ATOM 337 O ASN A 25 16.482 13.706 2.896 1.00 0.00 O ATOM 338 CB ASN A 25 16.744 10.891 4.778 1.00 0.00 C ATOM 339 CG ASN A 25 18.194 11.041 4.345 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.592 12.050 3.776 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.004 10.035 4.635 1.00 0.00 N ATOM 0 H ASN A 25 16.501 10.732 2.227 1.00 0.00 H new ATOM 0 HA ASN A 25 14.758 11.530 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.655 11.211 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.478 9.834 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.991 10.086 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.641 9.208 5.110 1.00 0.00 H new ATOM 347 N ALA A 26 15.838 13.816 5.062 1.00 0.00 N ATOM 348 CA ALA A 26 16.046 15.257 5.210 1.00 0.00 C ATOM 349 C ALA A 26 17.475 15.693 4.897 1.00 0.00 C ATOM 350 O ALA A 26 17.734 16.880 4.696 1.00 0.00 O ATOM 351 CB ALA A 26 15.674 15.684 6.618 1.00 0.00 C ATOM 0 H ALA A 26 15.522 13.356 5.916 1.00 0.00 H new ATOM 0 HA ALA A 26 15.402 15.747 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.830 16.757 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.626 15.449 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.299 15.153 7.336 1.00 0.00 H new ATOM 357 N ASP A 27 18.392 14.741 4.856 1.00 0.00 N ATOM 358 CA ASP A 27 19.787 15.030 4.563 1.00 0.00 C ATOM 359 C ASP A 27 20.018 15.009 3.055 1.00 0.00 C ATOM 360 O ASP A 27 21.090 15.361 2.558 1.00 0.00 O ATOM 361 CB ASP A 27 20.685 14.009 5.269 1.00 0.00 C ATOM 362 CG ASP A 27 22.160 14.310 5.117 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.577 15.438 5.451 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.910 13.411 4.684 1.00 0.00 O ATOM 0 H ASP A 27 18.194 13.754 5.023 1.00 0.00 H new ATOM 0 HA ASP A 27 20.038 16.025 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.433 13.984 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.480 13.016 4.869 1.00 0.00 H new ATOM 368 N GLY A 28 18.978 14.616 2.333 1.00 0.00 N ATOM 369 CA GLY A 28 19.047 14.541 0.889 1.00 0.00 C ATOM 370 C GLY A 28 19.663 13.243 0.427 1.00 0.00 C ATOM 371 O GLY A 28 20.422 13.215 -0.541 1.00 0.00 O ATOM 0 H GLY A 28 18.078 14.345 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.045 14.637 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.633 15.378 0.509 1.00 0.00 H new ATOM 375 N ASN A 29 19.347 12.168 1.125 1.00 0.00 N ATOM 376 CA ASN A 29 19.890 10.858 0.786 1.00 0.00 C ATOM 377 C ASN A 29 18.763 9.859 0.564 1.00 0.00 C ATOM 378 O ASN A 29 17.636 10.080 1.006 1.00 0.00 O ATOM 379 CB ASN A 29 20.794 10.370 1.919 1.00 0.00 C ATOM 380 CG ASN A 29 21.926 9.472 1.450 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.833 8.811 0.415 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.999 9.434 2.226 1.00 0.00 N ATOM 0 H ASN A 29 18.719 12.172 1.929 1.00 0.00 H new ATOM 0 HA ASN A 29 20.469 10.943 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.216 11.233 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.190 9.829 2.647 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.790 8.841 1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.035 9.998 3.075 1.00 0.00 H new ATOM 388 N TRP A 30 19.071 8.760 -0.110 1.00 0.00 N ATOM 389 CA TRP A 30 18.082 7.727 -0.380 1.00 0.00 C ATOM 390 C TRP A 30 18.205 6.591 0.620 1.00 0.00 C ATOM 391 O TRP A 30 19.256 5.961 0.728 1.00 0.00 O ATOM 392 CB TRP A 30 18.240 7.163 -1.792 1.00 0.00 C ATOM 393 CG TRP A 30 17.866 8.122 -2.876 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.680 8.623 -3.847 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.573 8.691 -3.103 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.968 9.459 -4.669 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.676 9.523 -4.229 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.340 8.579 -2.463 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.592 10.234 -4.731 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.265 9.287 -2.960 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.397 10.106 -4.083 1.00 0.00 C ATOM 0 H TRP A 30 20.000 8.561 -0.480 1.00 0.00 H new ATOM 0 HA TRP A 30 17.099 8.190 -0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.276 6.855 -1.935 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.625 6.268 -1.885 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.730 8.396 -3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.343 9.953 -5.479 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.228 7.949 -1.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.691 10.865 -5.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.305 9.206 -2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.537 10.649 -4.446 1.00 0.00 H new ATOM 411 N VAL A 31 17.135 6.335 1.347 1.00 0.00 N ATOM 412 CA VAL A 31 17.122 5.263 2.325 1.00 0.00 C ATOM 413 C VAL A 31 15.973 4.299 2.062 1.00 0.00 C ATOM 414 O VAL A 31 14.849 4.717 1.778 1.00 0.00 O ATOM 415 CB VAL A 31 17.021 5.789 3.773 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.354 6.359 4.233 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.924 6.833 3.906 1.00 0.00 C ATOM 0 H VAL A 31 16.261 6.856 1.279 1.00 0.00 H new ATOM 0 HA VAL A 31 18.072 4.740 2.218 1.00 0.00 H new ATOM 0 HB VAL A 31 16.763 4.946 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.260 6.724 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.116 5.580 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.643 7.182 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.878 7.183 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.140 7.673 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.966 6.392 3.630 1.00 0.00 H new ATOM 427 N THR A 32 16.271 3.015 2.125 1.00 0.00 N ATOM 428 CA THR A 32 15.266 1.992 1.915 1.00 0.00 C ATOM 429 C THR A 32 14.380 1.879 3.150 1.00 0.00 C ATOM 430 O THR A 32 14.819 1.412 4.205 1.00 0.00 O ATOM 431 CB THR A 32 15.914 0.623 1.623 1.00 0.00 C ATOM 432 OG1 THR A 32 16.821 0.733 0.515 1.00 0.00 O ATOM 433 CG2 THR A 32 14.855 -0.422 1.312 1.00 0.00 C ATOM 0 H THR A 32 17.205 2.655 2.321 1.00 0.00 H new ATOM 0 HA THR A 32 14.666 2.280 1.052 1.00 0.00 H new ATOM 0 HB THR A 32 16.462 0.311 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.523 1.451 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.336 -1.379 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.185 -0.526 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.283 -0.111 0.438 1.00 0.00 H new ATOM 441 N SER A 33 13.141 2.318 3.024 1.00 0.00 N ATOM 442 CA SER A 33 12.207 2.269 4.134 1.00 0.00 C ATOM 443 C SER A 33 10.964 1.477 3.758 1.00 0.00 C ATOM 444 O SER A 33 10.610 1.383 2.577 1.00 0.00 O ATOM 445 CB SER A 33 11.840 3.684 4.574 1.00 0.00 C ATOM 446 OG SER A 33 12.993 4.397 4.996 1.00 0.00 O ATOM 0 H SER A 33 12.758 2.712 2.165 1.00 0.00 H new ATOM 0 HA SER A 33 12.686 1.760 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.361 4.213 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.116 3.640 5.388 1.00 0.00 H new ATOM 0 HG SER A 33 12.797 5.357 5.010 1.00 0.00 H new ATOM 451 N GLU A 34 10.316 0.900 4.764 1.00 0.00 N ATOM 452 CA GLU A 34 9.118 0.103 4.549 1.00 0.00 C ATOM 453 C GLU A 34 8.042 0.444 5.570 1.00 0.00 C ATOM 454 O GLU A 34 8.331 0.637 6.752 1.00 0.00 O ATOM 455 CB GLU A 34 9.439 -1.390 4.634 1.00 0.00 C ATOM 456 CG GLU A 34 10.364 -1.880 3.538 1.00 0.00 C ATOM 457 CD GLU A 34 10.622 -3.367 3.615 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.772 -4.149 3.150 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.687 -3.760 4.134 1.00 0.00 O ATOM 0 H GLU A 34 10.603 0.971 5.740 1.00 0.00 H new ATOM 0 HA GLU A 34 8.746 0.336 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.895 -1.600 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.508 -1.955 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.930 -1.640 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.312 -1.347 3.603 1.00 0.00 H new ATOM 464 N LEU A 35 6.804 0.515 5.106 1.00 0.00 N ATOM 465 CA LEU A 35 5.671 0.812 5.972 1.00 0.00 C ATOM 466 C LEU A 35 4.564 -0.197 5.705 1.00 0.00 C ATOM 467 O LEU A 35 4.225 -0.465 4.552 1.00 0.00 O ATOM 468 CB LEU A 35 5.168 2.243 5.731 1.00 0.00 C ATOM 469 CG LEU A 35 4.248 2.836 6.817 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.823 2.328 6.672 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.781 2.513 8.205 1.00 0.00 C ATOM 0 H LEU A 35 6.556 0.370 4.127 1.00 0.00 H new ATOM 0 HA LEU A 35 5.983 0.739 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.034 2.896 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.633 2.262 4.782 1.00 0.00 H new ATOM 0 HG LEU A 35 4.237 3.918 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.200 2.765 7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.433 2.612 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.813 1.242 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.118 2.940 8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.828 1.432 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.779 2.936 8.319 1.00 0.00 H new ATOM 482 N ASP A 36 4.020 -0.763 6.769 1.00 0.00 N ATOM 483 CA ASP A 36 2.953 -1.747 6.652 1.00 0.00 C ATOM 484 C ASP A 36 1.611 -1.046 6.541 1.00 0.00 C ATOM 485 O ASP A 36 1.145 -0.434 7.496 1.00 0.00 O ATOM 486 CB ASP A 36 2.938 -2.675 7.867 1.00 0.00 C ATOM 487 CG ASP A 36 4.243 -3.417 8.065 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.575 -4.292 7.235 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.942 -3.130 9.056 1.00 0.00 O ATOM 0 H ASP A 36 4.300 -0.558 7.728 1.00 0.00 H new ATOM 0 HA ASP A 36 3.133 -2.340 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.721 -2.090 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.130 -3.398 7.755 1.00 0.00 H new ATOM 493 N LEU A 37 1.000 -1.119 5.373 1.00 0.00 N ATOM 494 CA LEU A 37 -0.294 -0.485 5.152 1.00 0.00 C ATOM 495 C LEU A 37 -1.431 -1.345 5.683 1.00 0.00 C ATOM 496 O LEU A 37 -2.476 -0.829 6.080 1.00 0.00 O ATOM 497 CB LEU A 37 -0.526 -0.244 3.662 1.00 0.00 C ATOM 498 CG LEU A 37 0.705 0.139 2.850 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.304 0.427 1.418 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.400 1.337 3.465 1.00 0.00 C ATOM 0 H LEU A 37 1.375 -1.610 4.561 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.281 0.464 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.955 -1.148 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.269 0.546 3.553 1.00 0.00 H new ATOM 0 HG LEU A 37 1.407 -0.695 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.187 0.701 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.153 -0.461 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.411 1.250 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.276 1.594 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.714 2.184 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.710 1.096 4.482 1.00 0.00 H new ATOM 511 N ASP A 38 -1.217 -2.656 5.720 1.00 0.00 N ATOM 512 CA ASP A 38 -2.252 -3.588 6.166 1.00 0.00 C ATOM 513 C ASP A 38 -2.597 -3.407 7.640 1.00 0.00 C ATOM 514 O ASP A 38 -3.522 -4.035 8.139 1.00 0.00 O ATOM 515 CB ASP A 38 -1.841 -5.040 5.902 1.00 0.00 C ATOM 516 CG ASP A 38 -0.793 -5.544 6.870 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.370 -5.098 6.781 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.128 -6.401 7.708 1.00 0.00 O ATOM 0 H ASP A 38 -0.339 -3.098 5.448 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.144 -3.360 5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.722 -5.678 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.458 -5.124 4.885 1.00 0.00 H new ATOM 522 N THR A 39 -1.863 -2.550 8.334 1.00 0.00 N ATOM 523 CA THR A 39 -2.133 -2.294 9.740 1.00 0.00 C ATOM 524 C THR A 39 -3.323 -1.340 9.887 1.00 0.00 C ATOM 525 O THR A 39 -3.830 -1.135 10.989 1.00 0.00 O ATOM 526 CB THR A 39 -0.893 -1.711 10.461 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.100 -1.681 11.882 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.581 -0.303 9.971 1.00 0.00 C ATOM 0 H THR A 39 -1.080 -2.023 7.949 1.00 0.00 H new ATOM 0 HA THR A 39 -2.376 -3.247 10.209 1.00 0.00 H new ATOM 0 HB THR A 39 -0.048 -2.360 10.230 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.056 -1.574 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.295 0.079 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.380 -0.327 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.434 0.347 10.166 1.00 0.00 H new ATOM 536 N CYS A 40 -3.759 -0.755 8.770 1.00 0.00 N ATOM 537 CA CYS A 40 -4.889 0.167 8.791 1.00 0.00 C ATOM 538 C CYS A 40 -5.783 -0.012 7.556 1.00 0.00 C ATOM 539 O CYS A 40 -6.754 0.722 7.371 1.00 0.00 O ATOM 540 CB CYS A 40 -4.389 1.614 8.885 1.00 0.00 C ATOM 541 SG CYS A 40 -5.697 2.839 9.131 1.00 0.00 S ATOM 0 H CYS A 40 -3.349 -0.903 7.848 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.491 -0.059 9.671 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.679 1.688 9.708 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.845 1.858 7.972 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.205 4.034 8.986 1.00 0.00 H new ATOM 546 N ILE A 41 -5.471 -0.990 6.714 1.00 0.00 N ATOM 547 CA ILE A 41 -6.277 -1.239 5.522 1.00 0.00 C ATOM 548 C ILE A 41 -6.973 -2.589 5.618 1.00 0.00 C ATOM 549 O ILE A 41 -6.344 -3.597 5.956 1.00 0.00 O ATOM 550 CB ILE A 41 -5.441 -1.210 4.219 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.711 0.121 4.067 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.338 -1.450 3.010 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.875 0.210 2.810 1.00 0.00 C ATOM 0 H ILE A 41 -4.676 -1.618 6.831 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.010 -0.433 5.478 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.698 -2.006 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.442 0.929 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.068 0.275 4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.737 -1.427 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.820 -2.423 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.099 -0.671 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.385 1.183 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.121 -0.577 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.516 0.088 1.937 1.00 0.00 H new ATOM 564 N GLY A 42 -8.264 -2.608 5.320 1.00 0.00 N ATOM 565 CA GLY A 42 -9.021 -3.841 5.363 1.00 0.00 C ATOM 566 C GLY A 42 -10.098 -3.863 4.307 1.00 0.00 C ATOM 567 O GLY A 42 -10.546 -2.804 3.860 1.00 0.00 O ATOM 0 H GLY A 42 -8.803 -1.786 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.349 -4.687 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.473 -3.958 6.348 1.00 0.00 H new ATOM 571 N ASN A 43 -10.513 -5.059 3.902 1.00 0.00 N ATOM 572 CA ASN A 43 -11.536 -5.192 2.870 1.00 0.00 C ATOM 573 C ASN A 43 -12.345 -6.500 2.971 1.00 0.00 C ATOM 574 O ASN A 43 -12.624 -7.127 1.949 1.00 0.00 O ATOM 575 CB ASN A 43 -10.875 -5.112 1.488 1.00 0.00 C ATOM 576 CG ASN A 43 -9.842 -6.205 1.261 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.677 -6.055 1.614 1.00 0.00 O ATOM 578 ND2 ASN A 43 -10.265 -7.309 0.667 1.00 0.00 N ATOM 0 H ASN A 43 -10.161 -5.943 4.269 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.240 -4.374 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.644 -5.181 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.397 -4.139 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.614 -8.073 0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.242 -7.396 0.388 1.00 0.00 H new ATOM 584 N PRO A 44 -12.804 -6.915 4.172 1.00 0.00 N ATOM 585 CA PRO A 44 -13.571 -8.162 4.313 1.00 0.00 C ATOM 586 C PRO A 44 -14.947 -8.043 3.665 1.00 0.00 C ATOM 587 O PRO A 44 -15.589 -9.040 3.336 1.00 0.00 O ATOM 588 CB PRO A 44 -13.696 -8.340 5.826 1.00 0.00 C ATOM 589 CG PRO A 44 -13.603 -6.959 6.373 1.00 0.00 C ATOM 590 CD PRO A 44 -12.670 -6.208 5.461 1.00 0.00 C ATOM 0 HA PRO A 44 -13.088 -9.007 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.642 -8.810 6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.902 -8.976 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.584 -6.485 6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.224 -6.970 7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.952 -5.159 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.644 -6.233 5.828 1.00 0.00 H new ATOM 595 N ASN A 45 -15.379 -6.802 3.485 1.00 0.00 N ATOM 596 CA ASN A 45 -16.664 -6.505 2.866 1.00 0.00 C ATOM 597 C ASN A 45 -16.538 -6.586 1.351 1.00 0.00 C ATOM 598 O ASN A 45 -17.528 -6.687 0.630 1.00 0.00 O ATOM 599 CB ASN A 45 -17.126 -5.094 3.252 1.00 0.00 C ATOM 600 CG ASN A 45 -16.912 -4.777 4.709 1.00 0.00 C ATOM 601 OD1 ASN A 45 -15.831 -4.336 5.101 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.926 -4.977 5.518 1.00 0.00 N ATOM 0 H ASN A 45 -14.850 -5.975 3.763 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.394 -7.234 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.589 -4.364 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.185 -4.988 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.835 -4.765 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.805 -5.344 5.153 1.00 0.00 H new ATOM 608 N GLY A 46 -15.302 -6.558 0.880 1.00 0.00 N ATOM 609 CA GLY A 46 -15.047 -6.605 -0.540 1.00 0.00 C ATOM 610 C GLY A 46 -14.679 -5.245 -1.087 1.00 0.00 C ATOM 611 O GLY A 46 -14.546 -5.068 -2.297 1.00 0.00 O ATOM 0 H GLY A 46 -14.466 -6.503 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.240 -7.309 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.931 -6.978 -1.056 1.00 0.00 H new ATOM 615 N PHE A 47 -14.526 -4.282 -0.190 1.00 0.00 N ATOM 616 CA PHE A 47 -14.169 -2.928 -0.575 1.00 0.00 C ATOM 617 C PHE A 47 -12.885 -2.503 0.115 1.00 0.00 C ATOM 618 O PHE A 47 -12.716 -2.711 1.314 1.00 0.00 O ATOM 619 CB PHE A 47 -15.298 -1.957 -0.237 1.00 0.00 C ATOM 620 CG PHE A 47 -16.554 -2.233 -1.008 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.580 -2.059 -2.381 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.700 -2.674 -0.367 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.729 -2.316 -3.103 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.853 -2.932 -1.083 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.867 -2.753 -2.452 1.00 0.00 C ATOM 0 H PHE A 47 -14.645 -4.416 0.814 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.009 -2.909 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.513 -2.014 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.968 -0.938 -0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.692 -1.719 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.692 -2.818 0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.738 -2.176 -4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.742 -3.273 -0.573 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.767 -2.954 -3.014 1.00 0.00 H new ATOM 634 N LEU A 48 -11.998 -1.894 -0.651 1.00 0.00 N ATOM 635 CA LEU A 48 -10.711 -1.451 -0.144 1.00 0.00 C ATOM 636 C LEU A 48 -10.834 -0.097 0.528 1.00 0.00 C ATOM 637 O LEU A 48 -11.413 0.834 -0.036 1.00 0.00 O ATOM 638 CB LEU A 48 -9.715 -1.335 -1.295 1.00 0.00 C ATOM 639 CG LEU A 48 -9.322 -2.646 -1.968 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.411 -2.375 -3.154 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.641 -3.569 -0.973 1.00 0.00 C ATOM 0 H LEU A 48 -12.148 -1.693 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.364 -2.184 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.138 -0.673 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.811 -0.855 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.225 -3.138 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.138 -3.319 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.931 -1.746 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.510 -1.866 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.367 -4.500 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.744 -3.087 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.323 -3.783 -0.150 1.00 0.00 H new ATOM 652 N GLY A 49 -10.292 0.014 1.725 1.00 0.00 N ATOM 653 CA GLY A 49 -10.339 1.264 2.441 1.00 0.00 C ATOM 654 C GLY A 49 -9.550 1.204 3.726 1.00 0.00 C ATOM 655 O GLY A 49 -9.085 0.134 4.125 1.00 0.00 O ATOM 0 H GLY A 49 -9.818 -0.744 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.945 2.060 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.376 1.517 2.663 1.00 0.00 H new ATOM 659 N TRP A 50 -9.405 2.346 4.376 1.00 0.00 N ATOM 660 CA TRP A 50 -8.674 2.421 5.627 1.00 0.00 C ATOM 661 C TRP A 50 -9.647 2.297 6.795 1.00 0.00 C ATOM 662 O TRP A 50 -10.629 3.041 6.875 1.00 0.00 O ATOM 663 CB TRP A 50 -7.905 3.746 5.724 1.00 0.00 C ATOM 664 CG TRP A 50 -6.876 3.943 4.644 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.081 4.453 3.391 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.478 3.651 4.729 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.896 4.483 2.694 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.900 3.995 3.491 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.657 3.131 5.728 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.542 3.830 3.229 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.312 2.968 5.467 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.765 3.317 4.228 1.00 0.00 C ATOM 0 H TRP A 50 -9.786 3.236 4.056 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.955 1.602 5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.617 4.570 5.686 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.411 3.796 6.694 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.034 4.784 3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.780 4.816 1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.067 2.860 6.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.119 4.098 2.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.669 2.563 6.234 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.708 3.178 4.058 1.00 0.00 H new ATOM 682 N GLY A 51 -9.379 1.352 7.685 1.00 0.00 N ATOM 683 CA GLY A 51 -10.244 1.137 8.828 1.00 0.00 C ATOM 684 C GLY A 51 -9.892 -0.125 9.594 1.00 0.00 C ATOM 685 O GLY A 51 -9.600 -0.067 10.792 1.00 0.00 O ATOM 0 H GLY A 51 -8.574 0.727 7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.177 1.995 9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.279 1.077 8.490 1.00 0.00 H new ATOM 689 N MET A 52 -9.929 -1.262 8.904 1.00 0.00 N ATOM 690 CA MET A 52 -9.609 -2.547 9.519 1.00 0.00 C ATOM 691 C MET A 52 -8.138 -2.883 9.267 1.00 0.00 C ATOM 692 O MET A 52 -7.323 -1.983 9.094 1.00 0.00 O ATOM 693 CB MET A 52 -10.517 -3.645 8.956 1.00 0.00 C ATOM 694 CG MET A 52 -10.856 -4.725 9.976 1.00 0.00 C ATOM 695 SD MET A 52 -11.751 -6.118 9.260 1.00 0.00 S ATOM 696 CE MET A 52 -10.455 -6.895 8.298 1.00 0.00 C ATOM 0 H MET A 52 -10.178 -1.319 7.917 1.00 0.00 H new ATOM 0 HA MET A 52 -9.778 -2.484 10.594 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.441 -3.193 8.594 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.029 -4.106 8.097 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.935 -5.088 10.432 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.455 -4.287 10.774 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.835 -7.814 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.129 -6.216 7.510 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.611 -7.129 8.947 1.00 0.00 H new ATOM 704 N GLN A 53 -7.791 -4.167 9.245 1.00 0.00 N ATOM 705 CA GLN A 53 -6.409 -4.569 9.027 1.00 0.00 C ATOM 706 C GLN A 53 -6.328 -5.885 8.254 1.00 0.00 C ATOM 707 O GLN A 53 -7.341 -6.555 8.047 1.00 0.00 O ATOM 708 CB GLN A 53 -5.682 -4.725 10.365 1.00 0.00 C ATOM 709 CG GLN A 53 -6.288 -5.797 11.253 1.00 0.00 C ATOM 710 CD GLN A 53 -5.417 -6.153 12.441 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.679 -5.321 12.969 1.00 0.00 O ATOM 712 NE2 GLN A 53 -5.488 -7.406 12.856 1.00 0.00 N ATOM 0 H GLN A 53 -8.444 -4.940 9.375 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.929 -3.788 8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.636 -4.967 10.177 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.699 -3.772 10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.259 -5.456 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.465 -6.694 10.659 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.113 -8.063 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.917 -7.716 13.643 1.00 0.00 H new ATOM 719 N ASN A 54 -5.110 -6.233 7.835 1.00 0.00 N ATOM 720 CA ASN A 54 -4.827 -7.473 7.106 1.00 0.00 C ATOM 721 C ASN A 54 -5.544 -7.556 5.764 1.00 0.00 C ATOM 722 O ASN A 54 -6.035 -8.620 5.383 1.00 0.00 O ATOM 723 CB ASN A 54 -5.171 -8.704 7.953 1.00 0.00 C ATOM 724 CG ASN A 54 -4.052 -9.089 8.899 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.122 -8.615 10.130 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.137 -9.825 8.527 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.283 -5.657 7.993 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.756 -7.459 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.075 -8.504 8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.391 -9.544 7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.118 -10.171 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.398 -10.089 9.178 1.00 0.00 H new ATOM 732 N PHE A 55 -5.574 -6.450 5.026 1.00 0.00 N ATOM 733 CA PHE A 55 -6.222 -6.437 3.715 1.00 0.00 C ATOM 734 C PHE A 55 -5.509 -7.391 2.757 1.00 0.00 C ATOM 735 O PHE A 55 -6.108 -7.923 1.831 1.00 0.00 O ATOM 736 CB PHE A 55 -6.239 -5.019 3.122 1.00 0.00 C ATOM 737 CG PHE A 55 -4.962 -4.612 2.431 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.845 -4.246 3.161 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.888 -4.588 1.045 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.677 -3.868 2.526 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.723 -4.212 0.404 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.615 -3.850 1.147 1.00 0.00 C ATOM 0 H PHE A 55 -5.163 -5.560 5.308 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.252 -6.769 3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.061 -4.947 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.447 -4.308 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.886 -4.256 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.752 -4.867 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.812 -3.587 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.678 -4.201 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.703 -3.554 0.650 1.00 0.00 H new ATOM 751 N SER A 56 -4.223 -7.610 3.011 1.00 0.00 N ATOM 752 CA SER A 56 -3.399 -8.481 2.182 1.00 0.00 C ATOM 753 C SER A 56 -3.908 -9.924 2.206 1.00 0.00 C ATOM 754 O SER A 56 -3.821 -10.639 1.208 1.00 0.00 O ATOM 755 CB SER A 56 -1.944 -8.418 2.658 1.00 0.00 C ATOM 756 OG SER A 56 -1.082 -9.173 1.823 1.00 0.00 O ATOM 0 H SER A 56 -3.724 -7.190 3.795 1.00 0.00 H new ATOM 0 HA SER A 56 -3.459 -8.131 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.613 -7.380 2.678 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.880 -8.792 3.680 1.00 0.00 H new ATOM 0 HG SER A 56 -0.163 -9.108 2.157 1.00 0.00 H new ATOM 761 N HIS A 57 -4.470 -10.342 3.334 1.00 0.00 N ATOM 762 CA HIS A 57 -4.981 -11.704 3.461 1.00 0.00 C ATOM 763 C HIS A 57 -6.379 -11.822 2.869 1.00 0.00 C ATOM 764 O HIS A 57 -6.950 -12.910 2.812 1.00 0.00 O ATOM 765 CB HIS A 57 -4.979 -12.159 4.920 1.00 0.00 C ATOM 766 CG HIS A 57 -3.610 -12.476 5.439 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.027 -11.797 6.481 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.709 -13.410 5.053 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.827 -12.293 6.712 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.608 -13.276 5.861 1.00 0.00 N ATOM 0 H HIS A 57 -4.583 -9.765 4.167 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.315 -12.359 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.423 -11.378 5.538 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.611 -13.041 5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.834 -14.128 4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.139 -11.951 7.471 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.761 -13.842 5.812 1.00 0.00 H new ATOM 778 N SER A 58 -6.924 -10.701 2.429 1.00 0.00 N ATOM 779 CA SER A 58 -8.246 -10.685 1.832 1.00 0.00 C ATOM 780 C SER A 58 -8.199 -10.044 0.446 1.00 0.00 C ATOM 781 O SER A 58 -9.225 -9.675 -0.113 1.00 0.00 O ATOM 782 CB SER A 58 -9.228 -9.933 2.739 1.00 0.00 C ATOM 783 OG SER A 58 -9.237 -10.489 4.045 1.00 0.00 O ATOM 0 H SER A 58 -6.470 -9.789 2.475 1.00 0.00 H new ATOM 0 HA SER A 58 -8.591 -11.713 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.950 -8.880 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.230 -9.978 2.313 1.00 0.00 H new ATOM 0 HG SER A 58 -9.869 -9.993 4.607 1.00 0.00 H new ATOM 788 N SER A 59 -7.002 -9.925 -0.113 1.00 0.00 N ATOM 789 CA SER A 59 -6.843 -9.328 -1.431 1.00 0.00 C ATOM 790 C SER A 59 -5.852 -10.115 -2.270 1.00 0.00 C ATOM 791 O SER A 59 -4.913 -10.718 -1.748 1.00 0.00 O ATOM 792 CB SER A 59 -6.377 -7.876 -1.323 1.00 0.00 C ATOM 793 OG SER A 59 -7.321 -7.079 -0.631 1.00 0.00 O ATOM 0 H SER A 59 -6.132 -10.232 0.323 1.00 0.00 H new ATOM 0 HA SER A 59 -7.818 -9.353 -1.918 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.418 -7.838 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.217 -7.469 -2.321 1.00 0.00 H new ATOM 0 HG SER A 59 -7.187 -7.178 0.335 1.00 0.00 H new ATOM 798 N GLU A 60 -6.075 -10.102 -3.570 1.00 0.00 N ATOM 799 CA GLU A 60 -5.216 -10.796 -4.514 1.00 0.00 C ATOM 800 C GLU A 60 -4.806 -9.843 -5.619 1.00 0.00 C ATOM 801 O GLU A 60 -5.485 -8.844 -5.847 1.00 0.00 O ATOM 802 CB GLU A 60 -5.954 -11.989 -5.117 1.00 0.00 C ATOM 803 CG GLU A 60 -6.344 -13.045 -4.101 1.00 0.00 C ATOM 804 CD GLU A 60 -7.226 -14.116 -4.699 1.00 0.00 C ATOM 805 OE1 GLU A 60 -6.761 -14.836 -5.604 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.386 -14.249 -4.263 1.00 0.00 O ATOM 0 H GLU A 60 -6.857 -9.610 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.329 -11.155 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.853 -11.632 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.323 -12.447 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.443 -13.504 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.865 -12.571 -3.269 1.00 0.00 H new ATOM 811 N ASP A 61 -3.703 -10.150 -6.296 1.00 0.00 N ATOM 812 CA ASP A 61 -3.213 -9.319 -7.396 1.00 0.00 C ATOM 813 C ASP A 61 -2.974 -7.888 -6.917 1.00 0.00 C ATOM 814 O ASP A 61 -3.678 -6.955 -7.303 1.00 0.00 O ATOM 815 CB ASP A 61 -4.215 -9.352 -8.556 1.00 0.00 C ATOM 816 CG ASP A 61 -3.722 -8.637 -9.795 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.738 -9.106 -10.403 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.343 -7.626 -10.185 1.00 0.00 O ATOM 0 H ASP A 61 -3.129 -10.971 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.261 -9.716 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.435 -10.390 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.151 -8.898 -8.231 1.00 0.00 H new ATOM 822 N ILE A 62 -1.980 -7.732 -6.056 1.00 0.00 N ATOM 823 CA ILE A 62 -1.645 -6.433 -5.491 1.00 0.00 C ATOM 824 C ILE A 62 -0.529 -5.759 -6.284 1.00 0.00 C ATOM 825 O ILE A 62 0.605 -6.238 -6.307 1.00 0.00 O ATOM 826 CB ILE A 62 -1.222 -6.579 -4.014 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.349 -7.240 -3.210 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.861 -5.222 -3.423 1.00 0.00 C ATOM 829 CD1 ILE A 62 -1.990 -7.527 -1.769 1.00 0.00 C ATOM 0 H ILE A 62 -1.387 -8.495 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.535 -5.807 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.338 -7.214 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.226 -6.593 -3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.629 -8.174 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.565 -5.346 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.034 -4.788 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.725 -4.559 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.838 -7.994 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.133 -8.200 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.739 -6.594 -1.264 1.00 0.00 H new ATOM 840 N LYS A 63 -0.861 -4.649 -6.930 1.00 0.00 N ATOM 841 CA LYS A 63 0.101 -3.904 -7.729 1.00 0.00 C ATOM 842 C LYS A 63 -0.181 -2.407 -7.638 1.00 0.00 C ATOM 843 O LYS A 63 -1.330 -1.984 -7.571 1.00 0.00 O ATOM 844 CB LYS A 63 0.047 -4.376 -9.188 1.00 0.00 C ATOM 845 CG LYS A 63 1.048 -3.690 -10.111 1.00 0.00 C ATOM 846 CD LYS A 63 2.476 -3.849 -9.614 1.00 0.00 C ATOM 847 CE LYS A 63 3.478 -3.257 -10.594 1.00 0.00 C ATOM 848 NZ LYS A 63 3.624 -4.087 -11.821 1.00 0.00 N ATOM 0 H LYS A 63 -1.797 -4.243 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 63 1.102 -4.088 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.224 -5.451 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.958 -4.208 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.964 -4.109 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.805 -2.630 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.581 -3.361 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.694 -4.906 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.160 -2.252 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.448 -3.161 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.388 -3.702 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.854 -5.065 -11.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.733 -4.075 -12.356 1.00 0.00 H new ATOM 858 N LEU A 64 0.875 -1.615 -7.632 1.00 0.00 N ATOM 859 CA LEU A 64 0.754 -0.164 -7.549 1.00 0.00 C ATOM 860 C LEU A 64 0.469 0.436 -8.924 1.00 0.00 C ATOM 861 O LEU A 64 1.252 0.277 -9.858 1.00 0.00 O ATOM 862 CB LEU A 64 2.040 0.427 -6.962 1.00 0.00 C ATOM 863 CG LEU A 64 2.256 0.145 -5.475 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.671 0.520 -5.059 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.242 0.907 -4.640 1.00 0.00 C ATOM 0 H LEU A 64 1.836 -1.952 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.083 0.082 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.891 0.034 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.030 1.506 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 64 2.118 -0.923 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.805 0.312 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.387 -0.064 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.836 1.581 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.408 0.696 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.354 1.976 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.235 0.596 -4.918 1.00 0.00 H new ATOM 876 N GLU A 65 -0.663 1.131 -9.024 1.00 0.00 N ATOM 877 CA GLU A 65 -1.094 1.756 -10.272 1.00 0.00 C ATOM 878 C GLU A 65 -0.238 2.978 -10.589 1.00 0.00 C ATOM 879 O GLU A 65 0.375 3.057 -11.648 1.00 0.00 O ATOM 880 CB GLU A 65 -2.576 2.149 -10.174 1.00 0.00 C ATOM 881 CG GLU A 65 -3.131 2.829 -11.421 1.00 0.00 C ATOM 882 CD GLU A 65 -3.033 1.960 -12.660 1.00 0.00 C ATOM 883 OE1 GLU A 65 -3.895 1.074 -12.844 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.090 2.160 -13.456 1.00 0.00 O ATOM 0 H GLU A 65 -1.305 1.276 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.970 1.038 -11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.164 1.254 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.707 2.816 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.175 3.094 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.590 3.760 -11.592 1.00 0.00 H new ATOM 889 N GLU A 66 -0.187 3.925 -9.658 1.00 0.00 N ATOM 890 CA GLU A 66 0.601 5.136 -9.852 1.00 0.00 C ATOM 891 C GLU A 66 2.060 4.888 -9.502 1.00 0.00 C ATOM 892 O GLU A 66 2.879 5.806 -9.516 1.00 0.00 O ATOM 893 CB GLU A 66 0.063 6.286 -9.002 1.00 0.00 C ATOM 894 CG GLU A 66 -1.392 6.615 -9.270 1.00 0.00 C ATOM 895 CD GLU A 66 -1.805 7.955 -8.691 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.453 8.994 -9.288 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.483 7.978 -7.645 1.00 0.00 O ATOM 0 H GLU A 66 -0.679 3.878 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 66 0.525 5.412 -10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.181 6.033 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.667 7.175 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.567 6.619 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.021 5.832 -8.847 1.00 0.00 H new ATOM 902 N GLY A 67 2.375 3.644 -9.180 1.00 0.00 N ATOM 903 CA GLY A 67 3.731 3.295 -8.821 1.00 0.00 C ATOM 904 C GLY A 67 4.048 3.632 -7.382 1.00 0.00 C ATOM 905 O GLY A 67 5.210 3.645 -6.987 1.00 0.00 O ATOM 0 H GLY A 67 1.713 2.868 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.885 2.228 -8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.425 3.821 -9.476 1.00 0.00 H new ATOM 909 N GLY A 68 3.016 3.915 -6.591 1.00 0.00 N ATOM 910 CA GLY A 68 3.241 4.234 -5.197 1.00 0.00 C ATOM 911 C GLY A 68 2.139 5.078 -4.590 1.00 0.00 C ATOM 912 O GLY A 68 1.851 4.964 -3.402 1.00 0.00 O ATOM 0 H GLY A 68 2.040 3.929 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.334 3.308 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.189 4.763 -5.101 1.00 0.00 H new ATOM 916 N ARG A 69 1.521 5.924 -5.404 1.00 0.00 N ATOM 917 CA ARG A 69 0.451 6.797 -4.930 1.00 0.00 C ATOM 918 C ARG A 69 -0.869 6.043 -4.786 1.00 0.00 C ATOM 919 O ARG A 69 -1.671 6.331 -3.896 1.00 0.00 O ATOM 920 CB ARG A 69 0.258 7.964 -5.899 1.00 0.00 C ATOM 921 CG ARG A 69 1.265 9.093 -5.751 1.00 0.00 C ATOM 922 CD ARG A 69 0.987 9.917 -4.506 1.00 0.00 C ATOM 923 NE ARG A 69 1.370 11.315 -4.674 1.00 0.00 N ATOM 924 CZ ARG A 69 0.560 12.255 -5.158 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.675 11.950 -5.539 1.00 0.00 N ATOM 926 NH2 ARG A 69 0.986 13.507 -5.253 1.00 0.00 N ATOM 0 H ARG A 69 1.741 6.025 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 69 0.744 7.170 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.309 7.583 -6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.744 8.370 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.273 8.681 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.228 9.735 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.074 9.859 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.530 9.492 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 69 2.315 11.589 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.010 10.990 -5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.289 12.676 -5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.932 13.748 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.368 14.229 -5.623 1.00 0.00 H new ATOM 937 N LYS A 70 -1.081 5.069 -5.655 1.00 0.00 N ATOM 938 CA LYS A 70 -2.311 4.296 -5.650 1.00 0.00 C ATOM 939 C LYS A 70 -2.003 2.807 -5.708 1.00 0.00 C ATOM 940 O LYS A 70 -1.158 2.378 -6.495 1.00 0.00 O ATOM 941 CB LYS A 70 -3.158 4.697 -6.856 1.00 0.00 C ATOM 942 CG LYS A 70 -4.596 4.201 -6.819 1.00 0.00 C ATOM 943 CD LYS A 70 -5.532 5.213 -6.173 1.00 0.00 C ATOM 944 CE LYS A 70 -6.979 4.746 -6.249 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.939 5.818 -5.878 1.00 0.00 N ATOM 0 H LYS A 70 -0.414 4.794 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.859 4.500 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.165 5.784 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.681 4.318 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.933 3.992 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.641 3.262 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.249 5.362 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.431 6.177 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.195 4.403 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.118 3.892 -5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.832 5.678 -6.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.120 5.783 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.538 6.745 -6.127 1.00 0.00 H new ATOM 955 N LEU A 71 -2.686 2.032 -4.882 1.00 0.00 N ATOM 956 CA LEU A 71 -2.493 0.590 -4.841 1.00 0.00 C ATOM 957 C LEU A 71 -3.729 -0.101 -5.395 1.00 0.00 C ATOM 958 O LEU A 71 -4.841 0.136 -4.929 1.00 0.00 O ATOM 959 CB LEU A 71 -2.213 0.146 -3.399 1.00 0.00 C ATOM 960 CG LEU A 71 -1.853 -1.333 -3.193 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.020 -1.500 -1.931 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.107 -2.191 -3.096 1.00 0.00 C ATOM 0 H LEU A 71 -3.385 2.380 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.636 0.313 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.397 0.753 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.093 0.370 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.273 -1.662 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.771 -2.553 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.102 -0.919 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.589 -1.148 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.824 -3.234 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.712 -1.858 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.684 -2.097 -4.016 1.00 0.00 H new ATOM 973 N THR A 72 -3.535 -0.936 -6.395 1.00 0.00 N ATOM 974 CA THR A 72 -4.635 -1.652 -7.009 1.00 0.00 C ATOM 975 C THR A 72 -4.545 -3.142 -6.726 1.00 0.00 C ATOM 976 O THR A 72 -3.507 -3.767 -6.945 1.00 0.00 O ATOM 977 CB THR A 72 -4.664 -1.422 -8.529 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.399 -0.903 -8.970 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.784 -0.466 -8.905 1.00 0.00 C ATOM 0 H THR A 72 -2.621 -1.136 -6.802 1.00 0.00 H new ATOM 0 HA THR A 72 -5.556 -1.264 -6.573 1.00 0.00 H new ATOM 0 HB THR A 72 -4.848 -2.376 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.673 -1.421 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.788 -0.316 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.741 -0.886 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.628 0.491 -8.407 1.00 0.00 H new ATOM 987 N CYS A 73 -5.631 -3.699 -6.231 1.00 0.00 N ATOM 988 CA CYS A 73 -5.695 -5.110 -5.922 1.00 0.00 C ATOM 989 C CYS A 73 -7.138 -5.567 -5.974 1.00 0.00 C ATOM 990 O CYS A 73 -8.055 -4.750 -6.025 1.00 0.00 O ATOM 991 CB CYS A 73 -5.087 -5.397 -4.545 1.00 0.00 C ATOM 992 SG CYS A 73 -5.841 -4.479 -3.182 1.00 0.00 S ATOM 0 H CYS A 73 -6.491 -3.187 -6.033 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.114 -5.663 -6.660 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.174 -6.464 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.023 -5.165 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.254 -4.798 -2.067 1.00 0.00 H new ATOM 997 N ARG A 74 -7.343 -6.865 -5.994 1.00 0.00 N ATOM 998 CA ARG A 74 -8.682 -7.412 -6.034 1.00 0.00 C ATOM 999 C ARG A 74 -9.105 -7.887 -4.656 1.00 0.00 C ATOM 1000 O ARG A 74 -8.687 -8.954 -4.200 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.765 -8.559 -7.042 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.072 -9.336 -6.978 1.00 0.00 C ATOM 1003 CD ARG A 74 -9.975 -10.653 -7.727 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.185 -11.462 -7.570 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.181 -12.781 -7.360 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.037 -13.444 -7.266 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.324 -13.443 -7.248 1.00 0.00 N ATOM 0 H ARG A 74 -6.599 -7.563 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.364 -6.623 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.640 -8.157 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.936 -9.245 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.332 -9.527 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.875 -8.734 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.805 -10.457 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.114 -11.214 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.087 -10.989 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.151 -12.947 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.043 -14.451 -7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.211 -12.945 -7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.316 -14.450 -7.088 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.908 -7.075 -3.961 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.420 -7.422 -2.647 1.00 0.00 C ATOM 1020 C PRO A 75 -11.429 -8.548 -2.767 1.00 0.00 C ATOM 1021 O PRO A 75 -12.422 -8.420 -3.483 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.097 -6.137 -2.166 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.448 -5.406 -3.411 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.377 -5.752 -4.403 1.00 0.00 C ATOM 0 HA PRO A 75 -9.646 -7.767 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.984 -6.356 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.429 -5.549 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.431 -5.705 -3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.486 -4.331 -3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.768 -5.785 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.571 -5.018 -4.395 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.153 -9.654 -2.100 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.027 -10.809 -2.141 1.00 0.00 C ATOM 1031 C LYS A 76 -12.613 -11.093 -0.770 1.00 0.00 C ATOM 1032 O LYS A 76 -11.959 -10.894 0.252 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.260 -12.024 -2.682 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.864 -12.205 -2.084 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.876 -13.011 -0.792 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.010 -14.502 -1.055 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.864 -15.053 -1.830 1.00 0.00 N ATOM 0 H LYS A 76 -10.323 -9.775 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.859 -10.598 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.845 -12.923 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.169 -11.929 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.224 -12.703 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.426 -11.225 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.957 -12.821 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.702 -12.678 -0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.088 -15.029 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.935 -14.689 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.767 -16.069 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.034 -14.914 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.990 -14.561 -1.555 1.00 0.00 H new ATOM 1047 N THR A 77 -13.861 -11.532 -0.748 1.00 0.00 N ATOM 1048 CA THR A 77 -14.517 -11.845 0.502 1.00 0.00 C ATOM 1049 C THR A 77 -14.048 -13.199 0.993 1.00 0.00 C ATOM 1050 O THR A 77 -13.861 -14.127 0.195 1.00 0.00 O ATOM 1051 CB THR A 77 -16.052 -11.857 0.375 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.635 -11.922 1.681 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.521 -13.043 -0.459 1.00 0.00 C ATOM 0 H THR A 77 -14.434 -11.678 -1.579 1.00 0.00 H new ATOM 0 HA THR A 77 -14.251 -11.063 1.213 1.00 0.00 H new ATOM 0 HB THR A 77 -16.368 -10.942 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.391 -12.546 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.608 -13.028 -0.533 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.088 -12.980 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.202 -13.971 0.016 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.880 -13.302 2.302 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.421 -14.525 2.942 1.00 0.00 C ATOM 1063 C VAL A 78 -14.482 -15.624 2.904 1.00 0.00 C ATOM 1064 O VAL A 78 -14.208 -16.770 3.265 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.999 -14.266 4.403 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.775 -13.365 4.448 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.144 -13.650 5.196 1.00 0.00 C ATOM 0 H VAL A 78 -14.059 -12.537 2.953 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.555 -14.865 2.375 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.745 -15.222 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.489 -13.191 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.951 -13.844 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.007 -12.413 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.823 -13.476 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.433 -12.703 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.996 -14.330 5.192 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.692 -15.269 2.473 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.788 -16.234 2.373 1.00 0.00 C ATOM 1079 C ASP A 79 -16.410 -17.360 1.425 1.00 0.00 C ATOM 1080 O ASP A 79 -16.782 -18.515 1.631 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.070 -15.568 1.865 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.635 -14.546 2.824 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.115 -14.938 3.910 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.618 -13.344 2.492 1.00 0.00 O ATOM 0 H ASP A 79 -15.939 -14.321 2.188 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.969 -16.632 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.866 -15.085 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.821 -16.336 1.680 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.664 -17.009 0.391 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.239 -17.990 -0.585 1.00 0.00 C ATOM 1090 C GLY A 80 -14.111 -17.488 -1.462 1.00 0.00 C ATOM 1091 O GLY A 80 -13.471 -18.266 -2.166 1.00 0.00 O ATOM 0 H GLY A 80 -15.343 -16.058 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.918 -18.895 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.087 -18.264 -1.212 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.854 -16.186 -1.418 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.800 -15.621 -2.223 1.00 0.00 C ATOM 1097 C GLY A 81 -13.329 -14.975 -3.474 1.00 0.00 C ATOM 1098 O GLY A 81 -12.606 -14.803 -4.449 1.00 0.00 O ATOM 0 H GLY A 81 -14.359 -15.516 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.253 -14.882 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.090 -16.403 -2.492 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.591 -14.598 -3.435 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.228 -13.980 -4.590 1.00 0.00 C ATOM 1104 C PHE A 82 -15.503 -12.522 -4.300 1.00 0.00 C ATOM 1105 O PHE A 82 -15.802 -12.183 -3.162 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.520 -14.722 -4.963 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.461 -14.940 -3.811 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.435 -14.003 -3.503 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.372 -16.085 -3.037 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.297 -14.204 -2.443 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.231 -16.290 -1.977 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.194 -15.349 -1.680 1.00 0.00 C ATOM 0 H PHE A 82 -15.197 -14.706 -2.622 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.554 -14.046 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.038 -14.158 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.259 -15.689 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.521 -13.106 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.621 -16.827 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.051 -13.466 -2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.149 -17.187 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.867 -15.508 -0.851 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.387 -11.672 -5.315 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.619 -10.239 -5.163 1.00 0.00 C ATOM 1123 C ARG A 83 -15.233 -9.492 -6.435 1.00 0.00 C ATOM 1124 O ARG A 83 -15.252 -10.059 -7.529 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.806 -9.696 -4.001 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.572 -8.783 -3.062 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.350 -9.579 -2.031 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.711 -9.890 -2.463 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.775 -9.811 -1.664 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.644 -9.366 -0.419 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.969 -10.160 -2.116 1.00 0.00 N ATOM 0 H ARG A 83 -15.131 -11.954 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.681 -10.088 -4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.411 -10.535 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.950 -9.150 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.877 -8.111 -2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.258 -8.160 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.820 -10.508 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.390 -9.016 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.855 -10.184 -3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.727 -9.084 -0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.460 -9.307 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.075 -10.489 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.783 -10.100 -1.505 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.840 -8.231 -6.276 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.483 -7.380 -7.404 1.00 0.00 C ATOM 1144 C GLU A 84 -13.056 -6.865 -7.241 1.00 0.00 C ATOM 1145 O GLU A 84 -12.409 -7.144 -6.236 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.439 -6.184 -7.455 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.920 -6.547 -7.398 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.410 -7.273 -8.637 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.480 -6.645 -9.715 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.746 -8.471 -8.540 1.00 0.00 O ATOM 0 H GLU A 84 -14.761 -7.774 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.555 -7.960 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.210 -5.518 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.251 -5.625 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.100 -7.173 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.505 -5.637 -7.264 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.558 -6.129 -8.228 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.222 -5.555 -8.141 1.00 0.00 C ATOM 1157 C ARG A 85 -11.344 -4.045 -8.056 1.00 0.00 C ATOM 1158 O ARG A 85 -12.290 -3.466 -8.591 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.348 -5.924 -9.342 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.876 -5.605 -9.115 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.043 -5.740 -10.377 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.608 -5.660 -10.087 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.819 -4.649 -10.445 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.321 -3.601 -11.089 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.524 -4.691 -10.147 1.00 0.00 N ATOM 0 H ARG A 85 -13.056 -5.917 -9.092 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.741 -5.961 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.457 -6.988 -9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.701 -5.387 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.784 -4.589 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.478 -6.272 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.265 -6.692 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.317 -4.954 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.184 -6.434 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.316 -3.568 -11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.712 -2.829 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.141 -5.494 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.913 -3.920 -10.418 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.385 -3.406 -7.406 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.413 -1.953 -7.251 1.00 0.00 C ATOM 1178 C GLN A 86 -9.069 -1.417 -6.770 1.00 0.00 C ATOM 1179 O GLN A 86 -8.084 -2.151 -6.704 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.523 -1.546 -6.279 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.437 -2.232 -4.931 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.590 -1.875 -4.020 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -12.520 -0.917 -3.254 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -13.660 -2.649 -4.088 1.00 0.00 N ATOM 0 H GLN A 86 -9.580 -3.863 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.616 -1.517 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.485 -0.467 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.489 -1.772 -6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.416 -3.312 -5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.499 -1.958 -4.448 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.680 -3.435 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.465 -2.460 -3.491 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.032 -0.131 -6.447 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.808 0.482 -5.982 1.00 0.00 C ATOM 1193 C GLY A 87 -8.028 1.371 -4.776 1.00 0.00 C ATOM 1194 O GLY A 87 -9.114 1.920 -4.588 1.00 0.00 O ATOM 0 H GLY A 87 -9.832 0.499 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.088 -0.297 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.371 1.070 -6.789 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.994 1.510 -3.963 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.050 2.332 -2.766 1.00 0.00 C ATOM 1200 C ILE A 88 -5.956 3.397 -2.819 1.00 0.00 C ATOM 1201 O ILE A 88 -4.906 3.192 -3.435 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.910 1.472 -1.485 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.981 2.348 -0.232 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.613 0.674 -1.508 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.947 1.564 1.062 1.00 0.00 C ATOM 0 H ILE A 88 -6.093 1.057 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.024 2.820 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.743 0.769 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.147 3.050 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.896 2.939 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.536 0.078 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.607 0.015 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.766 1.358 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.001 2.252 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.796 0.881 1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.020 0.994 1.118 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.213 4.539 -2.202 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.264 5.642 -2.194 1.00 0.00 C ATOM 1218 C ASP A 89 -4.273 5.502 -1.053 1.00 0.00 C ATOM 1219 O ASP A 89 -4.663 5.398 0.112 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.997 6.977 -2.055 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.931 7.263 -3.208 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.992 6.609 -3.299 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -6.615 8.147 -4.025 1.00 0.00 O ATOM 0 H ASP A 89 -7.078 4.728 -1.696 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.723 5.616 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.566 6.977 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.265 7.781 -1.980 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.991 5.514 -1.387 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.943 5.404 -0.385 1.00 0.00 C ATOM 1229 C LEU A 90 -1.411 6.778 -0.034 1.00 0.00 C ATOM 1230 O LEU A 90 -0.231 6.956 0.267 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.810 4.534 -0.894 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.220 3.148 -1.359 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.019 2.355 -1.688 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.065 2.445 -0.306 1.00 0.00 C ATOM 0 H LEU A 90 -2.652 5.599 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.368 4.944 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.322 5.048 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.069 4.430 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.836 3.234 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.266 1.358 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.574 2.859 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.646 2.274 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.345 1.455 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.491 2.348 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.965 3.028 -0.113 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.308 7.739 -0.056 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.972 9.127 0.250 1.00 0.00 C ATOM 1247 C ASN A 91 -1.776 9.316 1.750 1.00 0.00 C ATOM 1248 O ASN A 91 -1.520 10.419 2.229 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.064 10.073 -0.259 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.049 10.271 -1.771 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.629 9.262 -2.526 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -3.417 11.340 -2.258 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.291 7.589 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.037 9.367 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.037 9.683 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.948 11.042 0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.734 12.095 -1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.405 11.471 -3.270 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.897 8.221 2.484 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.740 8.236 3.928 1.00 0.00 C ATOM 1260 C ARG A 92 -0.345 7.785 4.336 1.00 0.00 C ATOM 1261 O ARG A 92 -0.036 7.699 5.521 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.767 7.314 4.578 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.195 7.809 4.483 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.045 7.171 5.562 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.676 7.659 6.890 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.503 7.699 7.933 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.782 7.366 7.792 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.049 8.112 9.110 1.00 0.00 N ATOM 0 H ARG A 92 -2.106 7.301 2.097 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.892 9.261 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.703 6.331 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.509 7.185 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.219 8.894 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.604 7.573 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.097 7.386 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.929 6.088 5.526 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.721 7.991 7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.136 7.077 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.409 7.399 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.074 8.395 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.675 8.146 9.915 1.00 0.00 H new ATOM 1279 N ILE A 93 0.496 7.482 3.361 1.00 0.00 N ATOM 1280 CA ILE A 93 1.844 7.026 3.659 1.00 0.00 C ATOM 1281 C ILE A 93 2.844 8.138 3.366 1.00 0.00 C ATOM 1282 O ILE A 93 3.032 8.540 2.215 1.00 0.00 O ATOM 1283 CB ILE A 93 2.189 5.739 2.873 1.00 0.00 C ATOM 1284 CG1 ILE A 93 1.048 4.729 2.994 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.477 5.111 3.389 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.658 4.430 4.431 1.00 0.00 C ATOM 0 H ILE A 93 0.273 7.542 2.367 1.00 0.00 H new ATOM 0 HA ILE A 93 1.900 6.778 4.719 1.00 0.00 H new ATOM 0 HB ILE A 93 2.329 6.011 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.177 5.110 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.341 3.800 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.695 4.208 2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.298 5.819 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.361 4.856 4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.157 3.706 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.516 4.020 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.334 5.349 4.919 1.00 0.00 H new ATOM 1297 N GLN A 94 3.464 8.643 4.422 1.00 0.00 N ATOM 1298 CA GLN A 94 4.421 9.736 4.315 1.00 0.00 C ATOM 1299 C GLN A 94 5.814 9.322 4.774 1.00 0.00 C ATOM 1300 O GLN A 94 5.964 8.522 5.693 1.00 0.00 O ATOM 1301 CB GLN A 94 3.947 10.916 5.168 1.00 0.00 C ATOM 1302 CG GLN A 94 3.131 11.950 4.411 1.00 0.00 C ATOM 1303 CD GLN A 94 4.005 12.880 3.597 1.00 0.00 C ATOM 1304 OE1 GLN A 94 4.284 12.501 2.364 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 4.434 13.928 4.078 1.00 0.00 N flip ATOM 0 H GLN A 94 3.319 8.309 5.375 1.00 0.00 H new ATOM 0 HA GLN A 94 4.480 10.020 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.349 10.534 5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.817 11.406 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.428 11.443 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.541 12.534 5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.195 14.185 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.029 14.540 3.519 1.00 0.00 H new ATOM 1312 N ASN A 95 6.825 9.875 4.123 1.00 0.00 N ATOM 1313 CA ASN A 95 8.210 9.606 4.479 1.00 0.00 C ATOM 1314 C ASN A 95 8.735 10.728 5.376 1.00 0.00 C ATOM 1315 O ASN A 95 9.072 11.816 4.909 1.00 0.00 O ATOM 1316 CB ASN A 95 9.096 9.456 3.226 1.00 0.00 C ATOM 1317 CG ASN A 95 9.000 10.628 2.253 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.938 11.227 2.071 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.113 10.960 1.619 1.00 0.00 N ATOM 0 H ASN A 95 6.711 10.518 3.339 1.00 0.00 H new ATOM 0 HA ASN A 95 8.249 8.661 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.134 9.341 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.817 8.540 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.110 11.734 0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.974 10.442 1.795 1.00 0.00 H new ATOM 1325 N VAL A 96 8.806 10.457 6.668 1.00 0.00 N ATOM 1326 CA VAL A 96 9.264 11.445 7.629 1.00 0.00 C ATOM 1327 C VAL A 96 10.767 11.323 7.858 1.00 0.00 C ATOM 1328 O VAL A 96 11.235 10.372 8.488 1.00 0.00 O ATOM 1329 CB VAL A 96 8.522 11.309 8.976 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.958 12.402 9.939 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.013 11.350 8.766 1.00 0.00 C ATOM 0 H VAL A 96 8.551 9.558 7.076 1.00 0.00 H new ATOM 0 HA VAL A 96 9.045 12.427 7.211 1.00 0.00 H new ATOM 0 HB VAL A 96 8.780 10.344 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.424 12.290 10.883 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.030 12.323 10.117 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.732 13.378 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.509 11.253 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.735 12.298 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.714 10.529 8.115 1.00 0.00 H new ATOM 1341 N ASN A 97 11.516 12.281 7.311 1.00 0.00 N ATOM 1342 CA ASN A 97 12.974 12.318 7.446 1.00 0.00 C ATOM 1343 C ASN A 97 13.614 11.078 6.837 1.00 0.00 C ATOM 1344 O ASN A 97 14.710 10.680 7.224 1.00 0.00 O ATOM 1345 CB ASN A 97 13.395 12.458 8.915 1.00 0.00 C ATOM 1346 CG ASN A 97 13.324 13.888 9.429 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.372 14.667 8.934 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.116 14.287 10.282 1.00 0.00 N flip ATOM 0 H ASN A 97 11.132 13.051 6.764 1.00 0.00 H new ATOM 0 HA ASN A 97 13.326 13.194 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.755 11.826 9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.414 12.088 9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.837 13.661 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.052 15.244 10.630 1.00 0.00 H new ATOM 1354 N GLY A 98 12.925 10.471 5.884 1.00 0.00 N ATOM 1355 CA GLY A 98 13.450 9.290 5.237 1.00 0.00 C ATOM 1356 C GLY A 98 12.751 8.022 5.677 1.00 0.00 C ATOM 1357 O GLY A 98 12.752 7.031 4.957 1.00 0.00 O ATOM 0 H GLY A 98 12.012 10.776 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.351 9.398 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.515 9.206 5.453 1.00 0.00 H new ATOM 1361 N ARG A 99 12.149 8.048 6.856 1.00 0.00 N ATOM 1362 CA ARG A 99 11.451 6.875 7.367 1.00 0.00 C ATOM 1363 C ARG A 99 10.010 6.876 6.887 1.00 0.00 C ATOM 1364 O ARG A 99 9.323 7.890 6.979 1.00 0.00 O ATOM 1365 CB ARG A 99 11.487 6.834 8.896 1.00 0.00 C ATOM 1366 CG ARG A 99 12.891 6.881 9.483 1.00 0.00 C ATOM 1367 CD ARG A 99 13.224 8.265 10.020 1.00 0.00 C ATOM 1368 NE ARG A 99 12.343 8.640 11.125 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.719 9.375 12.168 1.00 0.00 C ATOM 1370 NH1 ARG A 99 13.964 9.832 12.258 1.00 0.00 N ATOM 1371 NH2 ARG A 99 11.842 9.653 13.119 1.00 0.00 N ATOM 0 H ARG A 99 12.128 8.860 7.473 1.00 0.00 H new ATOM 0 HA ARG A 99 11.959 5.988 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.913 7.675 9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.992 5.925 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.976 6.148 10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.616 6.602 8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.260 8.285 10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.135 8.998 9.218 1.00 0.00 H new ATOM 0 HE ARG A 99 11.376 8.317 11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.639 9.620 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.244 10.395 13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.886 9.304 13.049 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.122 10.216 13.922 1.00 0.00 H new ATOM 1382 N LEU A 100 9.551 5.745 6.381 1.00 0.00 N ATOM 1383 CA LEU A 100 8.191 5.642 5.883 1.00 0.00 C ATOM 1384 C LEU A 100 7.241 5.386 7.044 1.00 0.00 C ATOM 1385 O LEU A 100 7.314 4.344 7.695 1.00 0.00 O ATOM 1386 CB LEU A 100 8.090 4.518 4.852 1.00 0.00 C ATOM 1387 CG LEU A 100 7.091 4.772 3.725 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.515 5.984 2.917 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.965 3.546 2.832 1.00 0.00 C ATOM 0 H LEU A 100 10.098 4.888 6.304 1.00 0.00 H new ATOM 0 HA LEU A 100 7.914 6.578 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.075 4.355 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.812 3.597 5.365 1.00 0.00 H new ATOM 0 HG LEU A 100 6.113 4.971 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.796 6.157 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.552 6.859 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.501 5.808 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.249 3.748 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.936 3.312 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.620 2.698 3.424 1.00 0.00 H new ATOM 1400 N VAL A 101 6.361 6.337 7.313 1.00 0.00 N ATOM 1401 CA VAL A 101 5.424 6.216 8.420 1.00 0.00 C ATOM 1402 C VAL A 101 3.986 6.410 7.948 1.00 0.00 C ATOM 1403 O VAL A 101 3.722 7.176 7.021 1.00 0.00 O ATOM 1404 CB VAL A 101 5.724 7.261 9.522 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.990 6.910 10.805 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.220 7.376 9.778 1.00 0.00 C ATOM 0 H VAL A 101 6.275 7.202 6.780 1.00 0.00 H new ATOM 0 HA VAL A 101 5.543 5.212 8.826 1.00 0.00 H new ATOM 0 HB VAL A 101 5.367 8.229 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.213 7.656 11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.916 6.893 10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.313 5.928 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.400 8.117 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.609 6.410 10.100 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.723 7.683 8.861 1.00 0.00 H new ATOM 1416 N PHE A 102 3.067 5.698 8.585 1.00 0.00 N ATOM 1417 CA PHE A 102 1.658 5.811 8.264 1.00 0.00 C ATOM 1418 C PHE A 102 1.088 7.055 8.932 1.00 0.00 C ATOM 1419 O PHE A 102 1.401 7.350 10.087 1.00 0.00 O ATOM 1420 CB PHE A 102 0.895 4.564 8.723 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.582 4.789 8.878 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.401 4.954 7.772 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.147 4.851 10.143 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.750 5.179 7.926 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.497 5.072 10.300 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.300 5.239 9.190 1.00 0.00 C ATOM 0 H PHE A 102 3.277 5.034 9.330 1.00 0.00 H new ATOM 0 HA PHE A 102 1.546 5.895 7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.059 3.762 8.003 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.305 4.227 9.675 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.977 4.906 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.521 4.725 11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.378 5.309 7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.927 5.115 11.290 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.358 5.417 9.311 1.00 0.00 H new ATOM 1435 N GLN A 103 0.258 7.776 8.208 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.336 8.988 8.723 1.00 0.00 C ATOM 1437 C GLN A 103 -1.842 8.979 8.498 1.00 0.00 C ATOM 1438 O GLN A 103 -2.274 8.948 7.331 1.00 0.00 O ATOM 1439 CB GLN A 103 0.311 10.193 8.044 1.00 0.00 C ATOM 1440 CG GLN A 103 0.266 11.466 8.868 1.00 0.00 C ATOM 1441 CD GLN A 103 1.093 12.574 8.247 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.587 13.380 7.465 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.372 12.616 8.590 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.592 9.007 9.497 1.00 0.00 O ATOM 0 H GLN A 103 -0.021 7.540 7.256 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.162 9.051 9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.351 9.955 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.188 10.371 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.768 11.797 8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.633 11.260 9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.748 11.927 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.981 13.337 8.202 1.00 0.00 H new