USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=20 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 2 SER OG : rot 23:sc= -2.55! USER MOD Set 1.2: A 91 ASN : amide:sc= -1.35! K(o=-3.9!,f=-2.9) USER MOD Set 2.1: A 43 ASN : amide:sc= -1.66 K(o=-0.37,f=-3.3!) USER MOD Set 2.2: A 59 SER OG : rot 94:sc= 2.09 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -0.799 USER MOD Set 3.1: A 54 ASN : amide:sc= -0.0221 K(o=-0.022,f=-0.75) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0 K(o=-0.022,f=-1.2) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.21 K(o=3.5,f=0.51!) USER MOD Set 4.2: A 18 THR OG1 : rot -86:sc= 2.32 USER MOD Single : A 3 TYR OH : rot 12:sc= -0.569 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 86:sc= 1.12 USER MOD Single : A 9 ASN : amide:sc= 0.189 X(o=0.19,f=-0.00091) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 23 CYS SG : rot 43:sc= -4.91! USER MOD Single : A 25 ASN : amide:sc= -2.08! C(o=-2.1!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= -0.306 K(o=-0.31,f=-2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 157:sc= 1.28 USER MOD Single : A 39 THR OG1 : rot -87:sc= 0.919 USER MOD Single : A 40 CYS SG : rot 178:sc= -0.746! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 155:sc= -0.0109 (180deg=-1.13) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 56 SER OG : rot 100:sc= 0.473 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= 0.0961 (180deg=-0.0618) USER MOD Single : A 72 THR OG1 : rot 37:sc= -0.0886 USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= 1.08 (180deg=0.675) USER MOD Single : A 77 THR OG1 : rot 55:sc= 0.18 USER MOD Single : A 86 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.084) USER MOD Single : A 94 GLN : amide:sc= -1.04 K(o=-1,f=-0.058) USER MOD Single : A 95 ASN : amide:sc= -1.04 K(o=-1,f=-7!) USER MOD Single : A 97 ASN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.959 11.931 -1.095 1.00 0.00 N ATOM 17 CA SER A 2 2.396 10.702 -0.465 1.00 0.00 C ATOM 18 C SER A 2 3.914 10.634 -0.429 1.00 0.00 C ATOM 19 O SER A 2 4.593 11.551 -0.887 1.00 0.00 O ATOM 20 CB SER A 2 1.855 9.486 -1.207 1.00 0.00 C ATOM 21 OG SER A 2 0.499 9.670 -1.561 1.00 0.00 O ATOM 0 HA SER A 2 2.008 10.696 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.448 9.310 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.954 8.600 -0.580 1.00 0.00 H new ATOM 0 HG SER A 2 0.297 10.628 -1.597 1.00 0.00 H new ATOM 26 N TYR A 3 4.439 9.565 0.138 1.00 0.00 N ATOM 27 CA TYR A 3 5.879 9.360 0.206 1.00 0.00 C ATOM 28 C TYR A 3 6.487 9.380 -1.196 1.00 0.00 C ATOM 29 O TYR A 3 7.592 9.880 -1.401 1.00 0.00 O ATOM 30 CB TYR A 3 6.182 8.021 0.886 1.00 0.00 C ATOM 31 CG TYR A 3 5.694 6.813 0.110 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.338 6.522 0.015 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.589 5.972 -0.541 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.890 5.435 -0.701 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.147 4.879 -1.257 1.00 0.00 C ATOM 36 CZ TYR A 3 4.797 4.616 -1.334 1.00 0.00 C ATOM 37 OH TYR A 3 4.351 3.534 -2.051 1.00 0.00 O ATOM 0 H TYR A 3 3.888 8.818 0.562 1.00 0.00 H new ATOM 0 HA TYR A 3 6.320 10.168 0.790 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.259 7.935 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.723 8.015 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.623 7.161 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.648 6.178 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.832 5.226 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.855 4.233 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 3 3.380 3.598 -2.169 1.00 0.00 H new ATOM 46 N ALA A 4 5.721 8.869 -2.161 1.00 0.00 N ATOM 47 CA ALA A 4 6.147 8.786 -3.556 1.00 0.00 C ATOM 48 C ALA A 4 6.525 10.149 -4.135 1.00 0.00 C ATOM 49 O ALA A 4 7.285 10.226 -5.098 1.00 0.00 O ATOM 50 CB ALA A 4 5.050 8.152 -4.394 1.00 0.00 C ATOM 0 H ALA A 4 4.785 8.500 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 4 7.043 8.165 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.374 8.093 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.841 7.149 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.146 8.758 -4.330 1.00 0.00 H new ATOM 56 N ASP A 5 6.002 11.218 -3.544 1.00 0.00 N ATOM 57 CA ASP A 5 6.292 12.565 -3.998 1.00 0.00 C ATOM 58 C ASP A 5 7.768 12.898 -3.800 1.00 0.00 C ATOM 59 O ASP A 5 8.286 13.852 -4.377 1.00 0.00 O ATOM 60 CB ASP A 5 5.412 13.560 -3.247 1.00 0.00 C ATOM 61 CG ASP A 5 3.968 13.507 -3.698 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.254 12.556 -3.315 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.541 14.402 -4.453 1.00 0.00 O ATOM 0 H ASP A 5 5.371 11.172 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 5 6.075 12.631 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.464 13.353 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.800 14.568 -3.395 1.00 0.00 H new ATOM 67 N SER A 6 8.434 12.105 -2.971 1.00 0.00 N ATOM 68 CA SER A 6 9.851 12.279 -2.698 1.00 0.00 C ATOM 69 C SER A 6 10.500 10.918 -2.457 1.00 0.00 C ATOM 70 O SER A 6 11.395 10.775 -1.624 1.00 0.00 O ATOM 71 CB SER A 6 10.053 13.194 -1.492 1.00 0.00 C ATOM 72 OG SER A 6 9.468 14.466 -1.717 1.00 0.00 O ATOM 0 H SER A 6 8.007 11.325 -2.471 1.00 0.00 H new ATOM 0 HA SER A 6 10.325 12.747 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.611 12.738 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.118 13.310 -1.293 1.00 0.00 H new ATOM 0 HG SER A 6 9.608 15.034 -0.931 1.00 0.00 H new ATOM 77 N SER A 7 10.019 9.917 -3.186 1.00 0.00 N ATOM 78 CA SER A 7 10.534 8.560 -3.077 1.00 0.00 C ATOM 79 C SER A 7 10.494 7.880 -4.439 1.00 0.00 C ATOM 80 O SER A 7 9.807 8.342 -5.350 1.00 0.00 O ATOM 81 CB SER A 7 9.729 7.749 -2.058 1.00 0.00 C ATOM 82 OG SER A 7 9.740 8.370 -0.784 1.00 0.00 O ATOM 0 H SER A 7 9.265 10.024 -3.865 1.00 0.00 H new ATOM 0 HA SER A 7 11.566 8.610 -2.731 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.701 7.643 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.144 6.744 -1.979 1.00 0.00 H new ATOM 0 HG SER A 7 9.017 9.030 -0.735 1.00 0.00 H new ATOM 87 N ARG A 8 11.225 6.788 -4.573 1.00 0.00 N ATOM 88 CA ARG A 8 11.279 6.050 -5.828 1.00 0.00 C ATOM 89 C ARG A 8 11.472 4.564 -5.567 1.00 0.00 C ATOM 90 O ARG A 8 11.833 4.170 -4.459 1.00 0.00 O ATOM 91 CB ARG A 8 12.424 6.578 -6.694 1.00 0.00 C ATOM 92 CG ARG A 8 13.734 6.679 -5.934 1.00 0.00 C ATOM 93 CD ARG A 8 14.904 6.969 -6.852 1.00 0.00 C ATOM 94 NE ARG A 8 14.751 8.216 -7.595 1.00 0.00 N ATOM 95 CZ ARG A 8 15.752 8.811 -8.243 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.974 8.285 -8.205 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.530 9.932 -8.916 1.00 0.00 N ATOM 0 H ARG A 8 11.793 6.389 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 8 10.335 6.191 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.557 5.921 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.157 7.561 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.658 7.467 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.915 5.747 -5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.819 7.014 -6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.019 6.145 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 8 13.830 8.655 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.144 7.427 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.741 8.740 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.594 10.337 -8.937 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.295 10.389 -9.413 1.00 0.00 H new ATOM 108 N ASN A 9 11.232 3.755 -6.596 1.00 0.00 N ATOM 109 CA ASN A 9 11.372 2.300 -6.515 1.00 0.00 C ATOM 110 C ASN A 9 10.458 1.714 -5.452 1.00 0.00 C ATOM 111 O ASN A 9 10.901 0.965 -4.578 1.00 0.00 O ATOM 112 CB ASN A 9 12.826 1.886 -6.243 1.00 0.00 C ATOM 113 CG ASN A 9 13.724 2.094 -7.445 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.779 1.255 -8.344 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.471 3.182 -7.449 1.00 0.00 N ATOM 0 H ASN A 9 10.934 4.089 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 9 11.077 1.900 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.212 2.461 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.853 0.836 -5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.122 3.351 -8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.397 3.854 -6.686 1.00 0.00 H new ATOM 121 N ALA A 10 9.182 2.063 -5.525 1.00 0.00 N ATOM 122 CA ALA A 10 8.206 1.560 -4.575 1.00 0.00 C ATOM 123 C ALA A 10 7.704 0.189 -5.006 1.00 0.00 C ATOM 124 O ALA A 10 7.104 0.037 -6.076 1.00 0.00 O ATOM 125 CB ALA A 10 7.049 2.537 -4.434 1.00 0.00 C ATOM 0 H ALA A 10 8.801 2.692 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 10 8.688 1.458 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.327 2.145 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.425 3.497 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.565 2.670 -5.402 1.00 0.00 H new ATOM 131 N VAL A 11 7.964 -0.806 -4.175 1.00 0.00 N ATOM 132 CA VAL A 11 7.549 -2.171 -4.454 1.00 0.00 C ATOM 133 C VAL A 11 6.681 -2.704 -3.326 1.00 0.00 C ATOM 134 O VAL A 11 6.594 -2.094 -2.255 1.00 0.00 O ATOM 135 CB VAL A 11 8.761 -3.107 -4.655 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.575 -2.679 -5.868 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.633 -3.144 -3.409 1.00 0.00 C ATOM 0 H VAL A 11 8.465 -0.692 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 11 6.974 -2.151 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 11 8.384 -4.114 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.424 -3.351 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.948 -2.718 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.936 -1.661 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.479 -3.810 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.999 -2.141 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.047 -3.508 -2.565 1.00 0.00 H new ATOM 147 N LEU A 12 6.054 -3.848 -3.563 1.00 0.00 N ATOM 148 CA LEU A 12 5.183 -4.462 -2.573 1.00 0.00 C ATOM 149 C LEU A 12 5.888 -5.643 -1.935 1.00 0.00 C ATOM 150 O LEU A 12 6.167 -6.641 -2.599 1.00 0.00 O ATOM 151 CB LEU A 12 3.866 -4.939 -3.214 1.00 0.00 C ATOM 152 CG LEU A 12 2.886 -3.842 -3.655 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.619 -2.873 -2.513 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.400 -3.105 -4.880 1.00 0.00 C ATOM 0 H LEU A 12 6.133 -4.370 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 12 4.949 -3.715 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.110 -5.549 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.355 -5.588 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 12 1.945 -4.321 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.922 -2.103 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.188 -3.414 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.555 -2.407 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.685 -2.335 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.359 -2.641 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.525 -3.809 -5.702 1.00 0.00 H new ATOM 165 N THR A 13 6.173 -5.530 -0.649 1.00 0.00 N ATOM 166 CA THR A 13 6.858 -6.588 0.069 1.00 0.00 C ATOM 167 C THR A 13 5.916 -7.321 1.017 1.00 0.00 C ATOM 168 O THR A 13 4.778 -6.883 1.246 1.00 0.00 O ATOM 169 CB THR A 13 8.073 -6.040 0.845 1.00 0.00 C ATOM 170 OG1 THR A 13 7.709 -4.867 1.583 1.00 0.00 O ATOM 171 CG2 THR A 13 9.213 -5.709 -0.104 1.00 0.00 C ATOM 0 H THR A 13 5.940 -4.715 -0.081 1.00 0.00 H new ATOM 0 HA THR A 13 7.215 -7.301 -0.675 1.00 0.00 H new ATOM 0 HB THR A 13 8.404 -6.812 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.490 -4.532 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.060 -5.324 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.514 -6.610 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.884 -4.955 -0.819 1.00 0.00 H new ATOM 179 N ASN A 14 6.394 -8.451 1.537 1.00 0.00 N ATOM 180 CA ASN A 14 5.629 -9.279 2.463 1.00 0.00 C ATOM 181 C ASN A 14 4.338 -9.774 1.817 1.00 0.00 C ATOM 182 O ASN A 14 3.286 -9.813 2.452 1.00 0.00 O ATOM 183 CB ASN A 14 5.328 -8.514 3.756 1.00 0.00 C ATOM 184 CG ASN A 14 6.547 -8.377 4.647 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.439 -9.226 4.633 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.595 -7.310 5.428 1.00 0.00 N ATOM 0 H ASN A 14 7.323 -8.817 1.327 1.00 0.00 H new ATOM 0 HA ASN A 14 6.236 -10.149 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.950 -7.522 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.538 -9.028 4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.392 -7.168 6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.835 -6.630 5.410 1.00 0.00 H new ATOM 192 N GLY A 15 4.429 -10.141 0.542 1.00 0.00 N ATOM 193 CA GLY A 15 3.273 -10.632 -0.191 1.00 0.00 C ATOM 194 C GLY A 15 2.499 -9.519 -0.877 1.00 0.00 C ATOM 195 O GLY A 15 1.915 -9.721 -1.942 1.00 0.00 O ATOM 0 H GLY A 15 5.291 -10.107 -0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.601 -11.355 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.611 -11.161 0.495 1.00 0.00 H new ATOM 199 N GLY A 16 2.513 -8.342 -0.274 1.00 0.00 N ATOM 200 CA GLY A 16 1.799 -7.208 -0.825 1.00 0.00 C ATOM 201 C GLY A 16 1.056 -6.457 0.256 1.00 0.00 C ATOM 202 O GLY A 16 -0.161 -6.294 0.194 1.00 0.00 O ATOM 0 H GLY A 16 3.011 -8.149 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.501 -6.538 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.095 -7.551 -1.584 1.00 0.00 H new ATOM 206 N ARG A 17 1.792 -6.024 1.263 1.00 0.00 N ATOM 207 CA ARG A 17 1.213 -5.296 2.385 1.00 0.00 C ATOM 208 C ARG A 17 2.147 -4.192 2.862 1.00 0.00 C ATOM 209 O ARG A 17 1.699 -3.147 3.340 1.00 0.00 O ATOM 210 CB ARG A 17 0.929 -6.265 3.534 1.00 0.00 C ATOM 211 CG ARG A 17 2.105 -7.174 3.852 1.00 0.00 C ATOM 212 CD ARG A 17 1.821 -8.081 5.033 1.00 0.00 C ATOM 213 NE ARG A 17 1.773 -7.344 6.288 1.00 0.00 N ATOM 214 CZ ARG A 17 2.367 -7.737 7.407 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.091 -8.851 7.432 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.233 -7.004 8.502 1.00 0.00 N ATOM 0 H ARG A 17 2.800 -6.164 1.330 1.00 0.00 H new ATOM 0 HA ARG A 17 0.282 -4.836 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.667 -5.695 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.063 -6.876 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.340 -7.781 2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.985 -6.567 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.871 -8.593 4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.591 -8.850 5.093 1.00 0.00 H new ATOM 0 HE ARG A 17 1.249 -6.469 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.194 -9.412 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.544 -9.145 8.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.678 -6.148 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.685 -7.295 9.369 1.00 0.00 H new ATOM 227 N THR A 18 3.439 -4.431 2.733 1.00 0.00 N ATOM 228 CA THR A 18 4.437 -3.472 3.155 1.00 0.00 C ATOM 229 C THR A 18 4.993 -2.707 1.957 1.00 0.00 C ATOM 230 O THR A 18 5.250 -3.290 0.899 1.00 0.00 O ATOM 231 CB THR A 18 5.579 -4.195 3.886 1.00 0.00 C ATOM 232 OG1 THR A 18 5.031 -5.166 4.790 1.00 0.00 O ATOM 233 CG2 THR A 18 6.450 -3.214 4.652 1.00 0.00 C ATOM 0 H THR A 18 3.822 -5.289 2.336 1.00 0.00 H new ATOM 0 HA THR A 18 3.966 -2.760 3.832 1.00 0.00 H new ATOM 0 HB THR A 18 6.202 -4.692 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.819 -4.735 5.644 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.249 -3.755 5.159 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.883 -2.493 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.844 -2.688 5.390 1.00 0.00 H new ATOM 241 N LEU A 19 5.145 -1.400 2.117 1.00 0.00 N ATOM 242 CA LEU A 19 5.685 -0.559 1.058 1.00 0.00 C ATOM 243 C LEU A 19 7.180 -0.371 1.234 1.00 0.00 C ATOM 244 O LEU A 19 7.626 0.170 2.241 1.00 0.00 O ATOM 245 CB LEU A 19 5.021 0.818 1.055 1.00 0.00 C ATOM 246 CG LEU A 19 3.563 0.852 0.615 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.043 2.278 0.671 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.410 0.284 -0.787 1.00 0.00 C ATOM 0 H LEU A 19 4.902 -0.898 2.971 1.00 0.00 H new ATOM 0 HA LEU A 19 5.482 -1.062 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.087 1.234 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.594 1.475 0.400 1.00 0.00 H new ATOM 0 HG LEU A 19 2.977 0.233 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.000 2.298 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.121 2.654 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.635 2.907 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.361 0.318 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.002 0.875 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.757 -0.749 -0.801 1.00 0.00 H new ATOM 259 N ARG A 20 7.946 -0.828 0.262 1.00 0.00 N ATOM 260 CA ARG A 20 9.389 -0.680 0.307 1.00 0.00 C ATOM 261 C ARG A 20 9.836 0.239 -0.821 1.00 0.00 C ATOM 262 O ARG A 20 9.602 -0.055 -1.996 1.00 0.00 O ATOM 263 CB ARG A 20 10.048 -2.050 0.176 1.00 0.00 C ATOM 264 CG ARG A 20 11.555 -2.042 0.336 1.00 0.00 C ATOM 265 CD ARG A 20 12.093 -3.458 0.314 1.00 0.00 C ATOM 266 NE ARG A 20 13.538 -3.511 0.486 1.00 0.00 N ATOM 267 CZ ARG A 20 14.137 -4.218 1.442 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.405 -4.816 2.377 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.459 -4.302 1.488 1.00 0.00 N ATOM 0 H ARG A 20 7.594 -1.305 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 20 9.687 -0.241 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.620 -2.718 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.802 -2.465 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.010 -1.460 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.825 -1.557 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.615 -4.036 1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.826 -3.930 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 20 14.122 -2.979 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.389 -4.732 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.860 -5.359 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.025 -3.823 0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.910 -4.846 2.224 1.00 0.00 H new ATOM 280 N ALA A 21 10.470 1.347 -0.470 1.00 0.00 N ATOM 281 CA ALA A 21 10.921 2.309 -1.463 1.00 0.00 C ATOM 282 C ALA A 21 12.107 3.111 -0.956 1.00 0.00 C ATOM 283 O ALA A 21 12.437 3.065 0.233 1.00 0.00 O ATOM 284 CB ALA A 21 9.780 3.245 -1.833 1.00 0.00 C ATOM 0 H ALA A 21 10.684 1.602 0.494 1.00 0.00 H new ATOM 0 HA ALA A 21 11.240 1.758 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.125 3.963 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.953 2.666 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.444 3.778 -0.944 1.00 0.00 H new ATOM 290 N GLU A 22 12.740 3.854 -1.858 1.00 0.00 N ATOM 291 CA GLU A 22 13.863 4.699 -1.492 1.00 0.00 C ATOM 292 C GLU A 22 13.297 6.034 -1.060 1.00 0.00 C ATOM 293 O GLU A 22 12.826 6.809 -1.892 1.00 0.00 O ATOM 294 CB GLU A 22 14.815 4.921 -2.673 1.00 0.00 C ATOM 295 CG GLU A 22 15.363 3.643 -3.277 1.00 0.00 C ATOM 296 CD GLU A 22 16.383 3.917 -4.360 1.00 0.00 C ATOM 297 OE1 GLU A 22 15.991 4.378 -5.450 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.587 3.681 -4.120 1.00 0.00 O ATOM 0 H GLU A 22 12.492 3.886 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 22 14.432 4.218 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.291 5.480 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.649 5.540 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.820 3.039 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.542 3.058 -3.692 1.00 0.00 H new ATOM 303 N CYS A 23 13.316 6.288 0.236 1.00 0.00 N ATOM 304 CA CYS A 23 12.762 7.512 0.769 1.00 0.00 C ATOM 305 C CYS A 23 13.839 8.569 0.896 1.00 0.00 C ATOM 306 O CYS A 23 14.851 8.355 1.560 1.00 0.00 O ATOM 307 CB CYS A 23 12.119 7.240 2.126 1.00 0.00 C ATOM 308 SG CYS A 23 10.984 5.833 2.121 1.00 0.00 S ATOM 0 H CYS A 23 13.710 5.660 0.937 1.00 0.00 H new ATOM 0 HA CYS A 23 11.999 7.883 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.904 7.060 2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.579 8.130 2.448 1.00 0.00 H new ATOM 0 HG CYS A 23 11.509 4.854 1.445 1.00 0.00 H new ATOM 313 N ARG A 24 13.642 9.692 0.229 1.00 0.00 N ATOM 314 CA ARG A 24 14.589 10.776 0.285 1.00 0.00 C ATOM 315 C ARG A 24 14.565 11.423 1.664 1.00 0.00 C ATOM 316 O ARG A 24 13.565 12.031 2.054 1.00 0.00 O ATOM 317 CB ARG A 24 14.239 11.792 -0.786 1.00 0.00 C ATOM 318 CG ARG A 24 15.389 12.689 -1.162 1.00 0.00 C ATOM 319 CD ARG A 24 15.040 13.505 -2.383 1.00 0.00 C ATOM 320 NE ARG A 24 14.194 14.649 -2.054 1.00 0.00 N ATOM 321 CZ ARG A 24 14.486 15.905 -2.389 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.633 16.176 -3.009 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.645 16.889 -2.090 1.00 0.00 N ATOM 0 H ARG A 24 12.828 9.871 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 24 15.595 10.396 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.893 11.266 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.409 12.406 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.629 13.351 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.278 12.089 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.956 13.856 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.528 12.872 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 24 13.331 14.477 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.286 15.423 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.859 17.137 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.773 16.684 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.872 17.850 -2.348 1.00 0.00 H new ATOM 334 N ASN A 25 15.656 11.279 2.403 1.00 0.00 N ATOM 335 CA ASN A 25 15.741 11.851 3.737 1.00 0.00 C ATOM 336 C ASN A 25 16.034 13.342 3.656 1.00 0.00 C ATOM 337 O ASN A 25 16.360 13.845 2.577 1.00 0.00 O ATOM 338 CB ASN A 25 16.783 11.125 4.612 1.00 0.00 C ATOM 339 CG ASN A 25 18.215 11.249 4.118 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.592 12.220 3.476 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.032 10.258 4.435 1.00 0.00 N ATOM 0 H ASN A 25 16.490 10.774 2.103 1.00 0.00 H new ATOM 0 HA ASN A 25 14.773 11.713 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.726 11.520 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.521 10.068 4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.009 10.289 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.685 9.463 4.971 1.00 0.00 H new ATOM 347 N ALA A 26 15.948 14.028 4.794 1.00 0.00 N ATOM 348 CA ALA A 26 16.179 15.472 4.866 1.00 0.00 C ATOM 349 C ALA A 26 17.549 15.879 4.319 1.00 0.00 C ATOM 350 O ALA A 26 17.720 16.991 3.823 1.00 0.00 O ATOM 351 CB ALA A 26 16.021 15.945 6.302 1.00 0.00 C ATOM 0 H ALA A 26 15.717 13.601 5.691 1.00 0.00 H new ATOM 0 HA ALA A 26 15.434 15.953 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.194 17.020 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.012 15.723 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.744 15.432 6.936 1.00 0.00 H new ATOM 357 N ASP A 27 18.512 14.973 4.389 1.00 0.00 N ATOM 358 CA ASP A 27 19.865 15.247 3.907 1.00 0.00 C ATOM 359 C ASP A 27 19.932 15.089 2.386 1.00 0.00 C ATOM 360 O ASP A 27 20.975 15.297 1.762 1.00 0.00 O ATOM 361 CB ASP A 27 20.855 14.301 4.590 1.00 0.00 C ATOM 362 CG ASP A 27 22.306 14.654 4.322 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.692 15.825 4.521 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.076 13.751 3.936 1.00 0.00 O ATOM 0 H ASP A 27 18.385 14.038 4.775 1.00 0.00 H new ATOM 0 HA ASP A 27 20.130 16.275 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.678 14.315 5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.667 13.283 4.250 1.00 0.00 H new ATOM 368 N GLY A 28 18.803 14.716 1.800 1.00 0.00 N ATOM 369 CA GLY A 28 18.718 14.536 0.366 1.00 0.00 C ATOM 370 C GLY A 28 19.282 13.203 -0.075 1.00 0.00 C ATOM 371 O GLY A 28 19.769 13.067 -1.198 1.00 0.00 O ATOM 0 H GLY A 28 17.934 14.533 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.677 14.610 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.259 15.341 -0.133 1.00 0.00 H new ATOM 375 N ASN A 29 19.206 12.210 0.803 1.00 0.00 N ATOM 376 CA ASN A 29 19.738 10.882 0.494 1.00 0.00 C ATOM 377 C ASN A 29 18.612 9.872 0.336 1.00 0.00 C ATOM 378 O ASN A 29 17.490 10.116 0.774 1.00 0.00 O ATOM 379 CB ASN A 29 20.678 10.403 1.602 1.00 0.00 C ATOM 380 CG ASN A 29 21.605 9.295 1.133 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.976 9.238 -0.038 1.00 0.00 O ATOM 382 ND2 ASN A 29 21.992 8.413 2.043 1.00 0.00 N ATOM 0 H ASN A 29 18.785 12.294 1.728 1.00 0.00 H new ATOM 0 HA ASN A 29 20.290 10.961 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.272 11.244 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.088 10.047 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 29 22.620 7.653 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 29 21.662 8.494 3.005 1.00 0.00 H new ATOM 388 N TRP A 30 18.916 8.738 -0.274 1.00 0.00 N ATOM 389 CA TRP A 30 17.927 7.690 -0.478 1.00 0.00 C ATOM 390 C TRP A 30 18.109 6.578 0.545 1.00 0.00 C ATOM 391 O TRP A 30 19.141 5.908 0.565 1.00 0.00 O ATOM 392 CB TRP A 30 18.041 7.101 -1.882 1.00 0.00 C ATOM 393 CG TRP A 30 17.769 8.083 -2.975 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.673 8.596 -3.856 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.508 8.671 -3.301 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.048 9.463 -4.718 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.720 9.528 -4.395 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.222 8.557 -2.778 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.691 10.263 -4.971 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.201 9.286 -3.352 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.441 10.130 -4.440 1.00 0.00 C ATOM 0 H TRP A 30 19.843 8.518 -0.638 1.00 0.00 H new ATOM 0 HA TRP A 30 16.940 8.137 -0.357 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.043 6.694 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.344 6.268 -1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.726 8.356 -3.874 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.500 9.975 -5.476 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.027 7.908 -1.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.874 10.917 -5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.200 9.203 -2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.621 10.688 -4.869 1.00 0.00 H new ATOM 411 N VAL A 31 17.117 6.394 1.398 1.00 0.00 N ATOM 412 CA VAL A 31 17.171 5.350 2.410 1.00 0.00 C ATOM 413 C VAL A 31 16.074 4.323 2.186 1.00 0.00 C ATOM 414 O VAL A 31 15.001 4.643 1.675 1.00 0.00 O ATOM 415 CB VAL A 31 17.060 5.913 3.842 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.349 6.614 4.247 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.876 6.855 3.975 1.00 0.00 C ATOM 0 H VAL A 31 16.264 6.953 1.411 1.00 0.00 H new ATOM 0 HA VAL A 31 18.146 4.873 2.310 1.00 0.00 H new ATOM 0 HB VAL A 31 16.897 5.073 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.249 7.003 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.176 5.905 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.547 7.437 3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.826 7.234 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.995 7.689 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.956 6.319 3.742 1.00 0.00 H new ATOM 427 N THR A 32 16.357 3.084 2.559 1.00 0.00 N ATOM 428 CA THR A 32 15.401 2.005 2.407 1.00 0.00 C ATOM 429 C THR A 32 14.474 1.948 3.613 1.00 0.00 C ATOM 430 O THR A 32 14.896 1.611 4.723 1.00 0.00 O ATOM 431 CB THR A 32 16.121 0.654 2.241 1.00 0.00 C ATOM 432 OG1 THR A 32 17.091 0.748 1.188 1.00 0.00 O ATOM 433 CG2 THR A 32 15.131 -0.456 1.924 1.00 0.00 C ATOM 0 H THR A 32 17.247 2.803 2.971 1.00 0.00 H new ATOM 0 HA THR A 32 14.812 2.199 1.510 1.00 0.00 H new ATOM 0 HB THR A 32 16.619 0.414 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.548 -0.113 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.666 -1.399 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.409 -0.543 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.608 -0.223 0.997 1.00 0.00 H new ATOM 441 N SER A 33 13.218 2.297 3.396 1.00 0.00 N ATOM 442 CA SER A 33 12.231 2.288 4.459 1.00 0.00 C ATOM 443 C SER A 33 10.990 1.515 4.034 1.00 0.00 C ATOM 444 O SER A 33 10.635 1.497 2.852 1.00 0.00 O ATOM 445 CB SER A 33 11.859 3.719 4.842 1.00 0.00 C ATOM 446 OG SER A 33 12.975 4.407 5.381 1.00 0.00 O ATOM 0 H SER A 33 12.857 2.591 2.488 1.00 0.00 H new ATOM 0 HA SER A 33 12.663 1.791 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.489 4.250 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.049 3.705 5.571 1.00 0.00 H new ATOM 0 HG SER A 33 12.849 5.373 5.271 1.00 0.00 H new ATOM 451 N GLU A 34 10.354 0.863 4.995 1.00 0.00 N ATOM 452 CA GLU A 34 9.156 0.084 4.731 1.00 0.00 C ATOM 453 C GLU A 34 8.048 0.457 5.711 1.00 0.00 C ATOM 454 O GLU A 34 8.321 0.843 6.851 1.00 0.00 O ATOM 455 CB GLU A 34 9.461 -1.413 4.845 1.00 0.00 C ATOM 456 CG GLU A 34 10.525 -1.908 3.877 1.00 0.00 C ATOM 457 CD GLU A 34 10.876 -3.365 4.097 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.346 -3.704 5.205 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.685 -4.181 3.168 1.00 0.00 O ATOM 0 H GLU A 34 10.651 0.859 5.971 1.00 0.00 H new ATOM 0 HA GLU A 34 8.821 0.306 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.783 -1.630 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.542 -1.974 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.173 -1.773 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.423 -1.300 3.988 1.00 0.00 H new ATOM 464 N LEU A 35 6.805 0.363 5.260 1.00 0.00 N ATOM 465 CA LEU A 35 5.652 0.664 6.102 1.00 0.00 C ATOM 466 C LEU A 35 4.550 -0.347 5.808 1.00 0.00 C ATOM 467 O LEU A 35 4.206 -0.575 4.647 1.00 0.00 O ATOM 468 CB LEU A 35 5.153 2.099 5.848 1.00 0.00 C ATOM 469 CG LEU A 35 4.279 2.733 6.949 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.902 2.098 7.001 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.964 2.621 8.303 1.00 0.00 C ATOM 0 H LEU A 35 6.567 0.079 4.310 1.00 0.00 H new ATOM 0 HA LEU A 35 5.940 0.594 7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.022 2.739 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.584 2.102 4.918 1.00 0.00 H new ATOM 0 HG LEU A 35 4.151 3.787 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.313 2.569 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.402 2.235 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.000 1.033 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.333 3.073 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.128 1.570 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.922 3.139 8.270 1.00 0.00 H new ATOM 482 N ASP A 36 4.013 -0.957 6.854 1.00 0.00 N ATOM 483 CA ASP A 36 2.956 -1.952 6.696 1.00 0.00 C ATOM 484 C ASP A 36 1.595 -1.269 6.664 1.00 0.00 C ATOM 485 O ASP A 36 1.118 -0.775 7.685 1.00 0.00 O ATOM 486 CB ASP A 36 2.986 -2.965 7.848 1.00 0.00 C ATOM 487 CG ASP A 36 4.336 -3.631 8.020 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.627 -4.596 7.290 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.112 -3.192 8.898 1.00 0.00 O ATOM 0 H ASP A 36 4.289 -0.783 7.820 1.00 0.00 H new ATOM 0 HA ASP A 36 3.124 -2.478 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.716 -2.459 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.230 -3.730 7.671 1.00 0.00 H new ATOM 493 N LEU A 37 0.964 -1.251 5.499 1.00 0.00 N ATOM 494 CA LEU A 37 -0.339 -0.607 5.352 1.00 0.00 C ATOM 495 C LEU A 37 -1.482 -1.536 5.736 1.00 0.00 C ATOM 496 O LEU A 37 -2.572 -1.074 6.067 1.00 0.00 O ATOM 497 CB LEU A 37 -0.560 -0.152 3.913 1.00 0.00 C ATOM 498 CG LEU A 37 0.695 0.209 3.129 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.324 0.550 1.700 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.422 1.370 3.780 1.00 0.00 C ATOM 0 H LEU A 37 1.328 -1.672 4.644 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.335 0.251 6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.084 -0.944 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.220 0.715 3.924 1.00 0.00 H new ATOM 0 HG LEU A 37 1.367 -0.650 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.224 0.808 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.158 -0.310 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.361 1.397 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.315 1.610 3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.765 2.239 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.709 1.096 4.795 1.00 0.00 H new ATOM 511 N ASP A 38 -1.233 -2.841 5.712 1.00 0.00 N ATOM 512 CA ASP A 38 -2.273 -3.824 6.030 1.00 0.00 C ATOM 513 C ASP A 38 -2.719 -3.717 7.481 1.00 0.00 C ATOM 514 O ASP A 38 -3.674 -4.374 7.896 1.00 0.00 O ATOM 515 CB ASP A 38 -1.793 -5.247 5.743 1.00 0.00 C ATOM 516 CG ASP A 38 -0.786 -5.734 6.762 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.327 -5.171 6.820 1.00 0.00 O ATOM 518 OD2 ASP A 38 -1.096 -6.699 7.486 1.00 0.00 O ATOM 0 H ASP A 38 -0.326 -3.245 5.477 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.126 -3.602 5.389 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.650 -5.921 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.346 -5.283 4.749 1.00 0.00 H new ATOM 522 N THR A 39 -2.028 -2.889 8.247 1.00 0.00 N ATOM 523 CA THR A 39 -2.362 -2.680 9.640 1.00 0.00 C ATOM 524 C THR A 39 -3.515 -1.689 9.774 1.00 0.00 C ATOM 525 O THR A 39 -4.145 -1.593 10.830 1.00 0.00 O ATOM 526 CB THR A 39 -1.142 -2.158 10.420 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.668 -0.941 9.825 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.026 -3.190 10.423 1.00 0.00 C ATOM 0 H THR A 39 -1.227 -2.348 7.921 1.00 0.00 H new ATOM 0 HA THR A 39 -2.667 -3.640 10.058 1.00 0.00 H new ATOM 0 HB THR A 39 -1.446 -1.968 11.449 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.038 -1.153 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.827 -2.802 10.979 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.380 -4.107 10.894 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.276 -3.402 9.397 1.00 0.00 H new ATOM 536 N CYS A 40 -3.786 -0.953 8.699 1.00 0.00 N ATOM 537 CA CYS A 40 -4.863 0.029 8.704 1.00 0.00 C ATOM 538 C CYS A 40 -5.739 -0.083 7.450 1.00 0.00 C ATOM 539 O CYS A 40 -6.794 0.549 7.366 1.00 0.00 O ATOM 540 CB CYS A 40 -4.295 1.445 8.831 1.00 0.00 C ATOM 541 SG CYS A 40 -5.547 2.712 9.134 1.00 0.00 S ATOM 0 H CYS A 40 -3.276 -1.018 7.818 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.494 -0.180 9.568 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.570 1.463 9.644 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.755 1.693 7.917 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.970 3.869 9.268 1.00 0.00 H new ATOM 546 N ILE A 41 -5.304 -0.871 6.472 1.00 0.00 N ATOM 547 CA ILE A 41 -6.088 -1.069 5.257 1.00 0.00 C ATOM 548 C ILE A 41 -6.740 -2.444 5.291 1.00 0.00 C ATOM 549 O ILE A 41 -6.089 -3.440 5.615 1.00 0.00 O ATOM 550 CB ILE A 41 -5.246 -0.957 3.965 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.540 0.394 3.890 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.129 -1.153 2.737 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.734 0.583 2.621 1.00 0.00 C ATOM 0 H ILE A 41 -4.420 -1.379 6.495 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.834 -0.275 5.235 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.489 -1.741 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.283 1.188 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.879 0.498 4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.522 -1.071 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.591 -2.139 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.906 -0.389 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.259 1.564 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.968 -0.190 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.394 0.511 1.757 1.00 0.00 H new ATOM 564 N GLY A 42 -8.018 -2.500 4.952 1.00 0.00 N ATOM 565 CA GLY A 42 -8.725 -3.757 4.961 1.00 0.00 C ATOM 566 C GLY A 42 -9.802 -3.810 3.907 1.00 0.00 C ATOM 567 O GLY A 42 -10.299 -2.769 3.468 1.00 0.00 O ATOM 0 H GLY A 42 -8.577 -1.695 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.019 -4.571 4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.171 -3.914 5.943 1.00 0.00 H new ATOM 571 N ASN A 43 -10.156 -5.022 3.495 1.00 0.00 N ATOM 572 CA ASN A 43 -11.186 -5.221 2.483 1.00 0.00 C ATOM 573 C ASN A 43 -11.810 -6.630 2.534 1.00 0.00 C ATOM 574 O ASN A 43 -12.054 -7.226 1.485 1.00 0.00 O ATOM 575 CB ASN A 43 -10.604 -4.971 1.084 1.00 0.00 C ATOM 576 CG ASN A 43 -9.343 -5.775 0.806 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.126 -6.848 1.368 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.500 -5.259 -0.069 1.00 0.00 N ATOM 0 H ASN A 43 -9.743 -5.885 3.848 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.979 -4.505 2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.357 -5.218 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.382 -3.910 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.637 -5.752 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.712 -4.367 -0.516 1.00 0.00 H new ATOM 584 N PRO A 44 -12.142 -7.174 3.731 1.00 0.00 N ATOM 585 CA PRO A 44 -12.725 -8.522 3.840 1.00 0.00 C ATOM 586 C PRO A 44 -14.126 -8.580 3.241 1.00 0.00 C ATOM 587 O PRO A 44 -14.608 -9.643 2.843 1.00 0.00 O ATOM 588 CB PRO A 44 -12.779 -8.788 5.353 1.00 0.00 C ATOM 589 CG PRO A 44 -11.929 -7.730 5.968 1.00 0.00 C ATOM 590 CD PRO A 44 -12.015 -6.547 5.051 1.00 0.00 C ATOM 0 HA PRO A 44 -12.138 -9.262 3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.802 -8.736 5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.403 -9.783 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.284 -7.476 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.898 -8.069 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.872 -5.915 5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.128 -5.917 5.117 1.00 0.00 H new ATOM 595 N ASN A 45 -14.768 -7.421 3.173 1.00 0.00 N ATOM 596 CA ASN A 45 -16.110 -7.315 2.617 1.00 0.00 C ATOM 597 C ASN A 45 -16.037 -7.063 1.120 1.00 0.00 C ATOM 598 O ASN A 45 -17.057 -6.980 0.441 1.00 0.00 O ATOM 599 CB ASN A 45 -16.897 -6.188 3.299 1.00 0.00 C ATOM 600 CG ASN A 45 -17.192 -6.479 4.756 1.00 0.00 C ATOM 601 OD1 ASN A 45 -18.193 -7.112 5.085 1.00 0.00 O ATOM 602 ND2 ASN A 45 -16.337 -5.992 5.641 1.00 0.00 N ATOM 0 H ASN A 45 -14.378 -6.536 3.498 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.629 -8.256 2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.331 -5.259 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.835 -6.032 2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.497 -6.137 6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.518 -5.472 5.326 1.00 0.00 H new ATOM 608 N GLY A 46 -14.820 -6.947 0.607 1.00 0.00 N ATOM 609 CA GLY A 46 -14.643 -6.700 -0.804 1.00 0.00 C ATOM 610 C GLY A 46 -14.540 -5.227 -1.129 1.00 0.00 C ATOM 611 O GLY A 46 -14.606 -4.840 -2.290 1.00 0.00 O ATOM 0 H GLY A 46 -13.956 -7.020 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.742 -7.208 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.481 -7.131 -1.352 1.00 0.00 H new ATOM 615 N PHE A 47 -14.393 -4.399 -0.102 1.00 0.00 N ATOM 616 CA PHE A 47 -14.281 -2.959 -0.298 1.00 0.00 C ATOM 617 C PHE A 47 -13.016 -2.427 0.357 1.00 0.00 C ATOM 618 O PHE A 47 -12.724 -2.742 1.509 1.00 0.00 O ATOM 619 CB PHE A 47 -15.509 -2.239 0.257 1.00 0.00 C ATOM 620 CG PHE A 47 -16.790 -2.648 -0.413 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.943 -2.507 -1.783 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.838 -3.167 0.327 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.120 -2.878 -2.402 1.00 0.00 C ATOM 624 CE2 PHE A 47 -19.018 -3.539 -0.287 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.159 -3.395 -1.652 1.00 0.00 C ATOM 0 H PHE A 47 -14.349 -4.699 0.872 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.225 -2.766 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.586 -2.438 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.374 -1.164 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -16.133 -2.103 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.732 -3.282 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.228 -2.764 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.829 -3.942 0.301 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.081 -3.686 -2.134 1.00 0.00 H new ATOM 634 N LEU A 48 -12.277 -1.618 -0.387 1.00 0.00 N ATOM 635 CA LEU A 48 -11.024 -1.048 0.094 1.00 0.00 C ATOM 636 C LEU A 48 -11.248 0.231 0.874 1.00 0.00 C ATOM 637 O LEU A 48 -12.159 1.007 0.575 1.00 0.00 O ATOM 638 CB LEU A 48 -10.090 -0.749 -1.081 1.00 0.00 C ATOM 639 CG LEU A 48 -9.161 -1.887 -1.497 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.958 -3.073 -1.986 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.197 -1.419 -2.572 1.00 0.00 C ATOM 0 H LEU A 48 -12.525 -1.338 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.572 -1.786 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.698 -0.468 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.480 0.117 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.585 -2.195 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.278 -3.873 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.612 -3.425 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.560 -2.777 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.542 -2.242 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.759 -1.084 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.597 -0.594 -2.188 1.00 0.00 H new ATOM 652 N GLY A 49 -10.413 0.439 1.876 1.00 0.00 N ATOM 653 CA GLY A 49 -10.496 1.639 2.671 1.00 0.00 C ATOM 654 C GLY A 49 -9.635 1.560 3.909 1.00 0.00 C ATOM 655 O GLY A 49 -9.089 0.500 4.225 1.00 0.00 O ATOM 0 H GLY A 49 -9.675 -0.208 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.188 2.494 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.533 1.810 2.961 1.00 0.00 H new ATOM 659 N TRP A 50 -9.509 2.678 4.604 1.00 0.00 N ATOM 660 CA TRP A 50 -8.717 2.731 5.820 1.00 0.00 C ATOM 661 C TRP A 50 -9.631 2.535 7.023 1.00 0.00 C ATOM 662 O TRP A 50 -10.625 3.247 7.181 1.00 0.00 O ATOM 663 CB TRP A 50 -7.977 4.073 5.927 1.00 0.00 C ATOM 664 CG TRP A 50 -6.966 4.303 4.838 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.181 4.881 3.617 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.572 3.969 4.880 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.005 4.921 2.900 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.007 4.365 3.653 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.748 3.373 5.838 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.658 4.181 3.359 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.411 3.192 5.545 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.878 3.594 4.316 1.00 0.00 C ATOM 0 H TRP A 50 -9.946 3.563 4.346 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.972 1.936 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.708 4.882 5.907 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.473 4.122 6.892 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.133 5.252 3.266 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.896 5.303 1.961 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.150 3.060 6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.244 4.490 2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.765 2.732 6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.828 3.437 4.119 1.00 0.00 H new ATOM 682 N GLY A 51 -9.306 1.559 7.855 1.00 0.00 N ATOM 683 CA GLY A 51 -10.113 1.279 9.028 1.00 0.00 C ATOM 684 C GLY A 51 -9.995 -0.164 9.453 1.00 0.00 C ATOM 685 O GLY A 51 -9.843 -0.470 10.635 1.00 0.00 O ATOM 0 H GLY A 51 -8.494 0.952 7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.801 1.927 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.157 1.512 8.816 1.00 0.00 H new ATOM 689 N MET A 52 -10.069 -1.047 8.477 1.00 0.00 N ATOM 690 CA MET A 52 -9.969 -2.476 8.716 1.00 0.00 C ATOM 691 C MET A 52 -8.518 -2.909 8.521 1.00 0.00 C ATOM 692 O MET A 52 -7.688 -2.102 8.128 1.00 0.00 O ATOM 693 CB MET A 52 -10.909 -3.207 7.753 1.00 0.00 C ATOM 694 CG MET A 52 -11.040 -4.703 8.010 1.00 0.00 C ATOM 695 SD MET A 52 -11.515 -5.086 9.706 1.00 0.00 S ATOM 696 CE MET A 52 -11.578 -6.875 9.648 1.00 0.00 C ATOM 0 H MET A 52 -10.200 -0.796 7.497 1.00 0.00 H new ATOM 0 HA MET A 52 -10.265 -2.723 9.735 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.898 -2.753 7.816 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.553 -3.056 6.734 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.781 -5.120 7.328 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.091 -5.189 7.786 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.416 -7.277 10.648 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.555 -7.193 9.283 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.802 -7.245 8.978 1.00 0.00 H new ATOM 704 N GLN A 53 -8.202 -4.162 8.801 1.00 0.00 N ATOM 705 CA GLN A 53 -6.837 -4.636 8.644 1.00 0.00 C ATOM 706 C GLN A 53 -6.799 -5.937 7.856 1.00 0.00 C ATOM 707 O GLN A 53 -7.844 -6.530 7.563 1.00 0.00 O ATOM 708 CB GLN A 53 -6.190 -4.853 10.016 1.00 0.00 C ATOM 709 CG GLN A 53 -6.835 -5.974 10.819 1.00 0.00 C ATOM 710 CD GLN A 53 -6.243 -6.129 12.208 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.082 -5.798 12.445 1.00 0.00 O ATOM 712 NE2 GLN A 53 -7.039 -6.652 13.130 1.00 0.00 N ATOM 0 H GLN A 53 -8.864 -4.863 9.135 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.280 -3.877 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.132 -5.077 9.879 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.249 -3.927 10.588 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.904 -5.782 10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.723 -6.913 10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.995 -6.912 12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.695 -6.794 14.080 1.00 0.00 H new ATOM 719 N ASN A 54 -5.588 -6.359 7.509 1.00 0.00 N ATOM 720 CA ASN A 54 -5.363 -7.610 6.790 1.00 0.00 C ATOM 721 C ASN A 54 -5.973 -7.612 5.394 1.00 0.00 C ATOM 722 O ASN A 54 -6.464 -8.644 4.939 1.00 0.00 O ATOM 723 CB ASN A 54 -5.917 -8.788 7.599 1.00 0.00 C ATOM 724 CG ASN A 54 -5.066 -9.112 8.806 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.841 -9.026 8.748 1.00 0.00 O ATOM 726 ND2 ASN A 54 -5.706 -9.456 9.911 1.00 0.00 N ATOM 0 H ASN A 54 -4.733 -5.844 7.718 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.285 -7.712 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.931 -8.556 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.982 -9.667 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.181 -9.663 10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.724 -9.515 9.913 1.00 0.00 H new ATOM 732 N PHE A 55 -5.925 -6.479 4.700 1.00 0.00 N ATOM 733 CA PHE A 55 -6.475 -6.413 3.347 1.00 0.00 C ATOM 734 C PHE A 55 -5.717 -7.370 2.432 1.00 0.00 C ATOM 735 O PHE A 55 -6.306 -8.047 1.598 1.00 0.00 O ATOM 736 CB PHE A 55 -6.420 -4.984 2.781 1.00 0.00 C ATOM 737 CG PHE A 55 -5.081 -4.563 2.234 1.00 0.00 C ATOM 738 CD1 PHE A 55 -4.046 -4.210 3.082 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.863 -4.519 0.864 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.820 -3.823 2.579 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.638 -4.132 0.355 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.614 -3.784 1.214 1.00 0.00 C ATOM 0 H PHE A 55 -5.519 -5.608 5.042 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.523 -6.709 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.163 -4.895 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.709 -4.287 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.199 -4.238 4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.660 -4.790 0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.022 -3.551 3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.482 -4.102 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.655 -3.482 0.819 1.00 0.00 H new ATOM 751 N SER A 56 -4.407 -7.447 2.637 1.00 0.00 N ATOM 752 CA SER A 56 -3.542 -8.300 1.838 1.00 0.00 C ATOM 753 C SER A 56 -3.956 -9.768 1.954 1.00 0.00 C ATOM 754 O SER A 56 -3.807 -10.538 1.012 1.00 0.00 O ATOM 755 CB SER A 56 -2.087 -8.113 2.281 1.00 0.00 C ATOM 756 OG SER A 56 -1.189 -8.747 1.391 1.00 0.00 O ATOM 0 H SER A 56 -3.918 -6.920 3.361 1.00 0.00 H new ATOM 0 HA SER A 56 -3.638 -8.013 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.856 -7.049 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.956 -8.520 3.284 1.00 0.00 H new ATOM 0 HG SER A 56 -0.812 -8.082 0.778 1.00 0.00 H new ATOM 761 N HIS A 57 -4.518 -10.143 3.100 1.00 0.00 N ATOM 762 CA HIS A 57 -4.944 -11.522 3.320 1.00 0.00 C ATOM 763 C HIS A 57 -6.254 -11.819 2.598 1.00 0.00 C ATOM 764 O HIS A 57 -6.649 -12.975 2.460 1.00 0.00 O ATOM 765 CB HIS A 57 -5.095 -11.818 4.813 1.00 0.00 C ATOM 766 CG HIS A 57 -3.791 -11.991 5.534 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.380 -11.167 6.558 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.812 -12.916 5.386 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.209 -11.576 7.008 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.840 -12.637 6.316 1.00 0.00 N ATOM 0 H HIS A 57 -4.688 -9.516 3.886 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.169 -12.170 2.910 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.652 -11.006 5.280 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.689 -12.723 4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.798 -13.724 4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.647 -11.119 7.809 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.976 -13.163 6.449 1.00 0.00 H new ATOM 778 N SER A 58 -6.920 -10.777 2.127 1.00 0.00 N ATOM 779 CA SER A 58 -8.185 -10.938 1.426 1.00 0.00 C ATOM 780 C SER A 58 -8.152 -10.248 0.062 1.00 0.00 C ATOM 781 O SER A 58 -9.181 -9.825 -0.460 1.00 0.00 O ATOM 782 CB SER A 58 -9.325 -10.384 2.286 1.00 0.00 C ATOM 783 OG SER A 58 -9.311 -10.975 3.576 1.00 0.00 O ATOM 0 H SER A 58 -6.606 -9.811 2.217 1.00 0.00 H new ATOM 0 HA SER A 58 -8.354 -12.001 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.228 -9.302 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.281 -10.579 1.801 1.00 0.00 H new ATOM 0 HG SER A 58 -10.045 -10.608 4.112 1.00 0.00 H new ATOM 788 N SER A 59 -6.965 -10.138 -0.519 1.00 0.00 N ATOM 789 CA SER A 59 -6.824 -9.504 -1.821 1.00 0.00 C ATOM 790 C SER A 59 -5.971 -10.347 -2.755 1.00 0.00 C ATOM 791 O SER A 59 -5.050 -11.044 -2.324 1.00 0.00 O ATOM 792 CB SER A 59 -6.193 -8.119 -1.688 1.00 0.00 C ATOM 793 OG SER A 59 -6.940 -7.290 -0.819 1.00 0.00 O ATOM 0 H SER A 59 -6.093 -10.477 -0.113 1.00 0.00 H new ATOM 0 HA SER A 59 -7.825 -9.408 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.174 -8.217 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.127 -7.652 -2.671 1.00 0.00 H new ATOM 0 HG SER A 59 -6.567 -7.344 0.086 1.00 0.00 H new ATOM 798 N GLU A 60 -6.291 -10.278 -4.030 1.00 0.00 N ATOM 799 CA GLU A 60 -5.556 -10.997 -5.048 1.00 0.00 C ATOM 800 C GLU A 60 -4.997 -10.009 -6.066 1.00 0.00 C ATOM 801 O GLU A 60 -5.650 -9.012 -6.382 1.00 0.00 O ATOM 802 CB GLU A 60 -6.443 -12.049 -5.716 1.00 0.00 C ATOM 803 CG GLU A 60 -7.817 -11.561 -6.120 1.00 0.00 C ATOM 804 CD GLU A 60 -8.651 -12.671 -6.721 1.00 0.00 C ATOM 805 OE1 GLU A 60 -8.469 -12.967 -7.923 1.00 0.00 O ATOM 806 OE2 GLU A 60 -9.483 -13.258 -5.994 1.00 0.00 O ATOM 0 H GLU A 60 -7.067 -9.722 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.723 -11.525 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.932 -12.424 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.559 -12.891 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.329 -11.152 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.718 -10.749 -6.841 1.00 0.00 H new ATOM 811 N ASP A 61 -3.784 -10.281 -6.548 1.00 0.00 N ATOM 812 CA ASP A 61 -3.098 -9.413 -7.513 1.00 0.00 C ATOM 813 C ASP A 61 -2.929 -8.007 -6.941 1.00 0.00 C ATOM 814 O ASP A 61 -3.698 -7.095 -7.238 1.00 0.00 O ATOM 815 CB ASP A 61 -3.839 -9.361 -8.855 1.00 0.00 C ATOM 816 CG ASP A 61 -3.099 -8.526 -9.885 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.003 -8.941 -10.313 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.617 -7.459 -10.284 1.00 0.00 O ATOM 0 H ASP A 61 -3.248 -11.107 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.112 -9.840 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.969 -10.374 -9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.836 -8.947 -8.702 1.00 0.00 H new ATOM 822 N ILE A 62 -1.919 -7.848 -6.101 1.00 0.00 N ATOM 823 CA ILE A 62 -1.646 -6.567 -5.466 1.00 0.00 C ATOM 824 C ILE A 62 -0.470 -5.863 -6.138 1.00 0.00 C ATOM 825 O ILE A 62 0.645 -6.387 -6.169 1.00 0.00 O ATOM 826 CB ILE A 62 -1.354 -6.751 -3.962 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.548 -7.427 -3.280 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.046 -5.413 -3.305 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.330 -7.726 -1.815 1.00 0.00 C ATOM 0 H ILE A 62 -1.272 -8.593 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.535 -5.947 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.477 -7.389 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.423 -6.786 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.772 -8.358 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.843 -5.566 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.173 -4.967 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.901 -4.747 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.220 -8.204 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.476 -8.393 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.137 -6.797 -1.279 1.00 0.00 H new ATOM 840 N LYS A 63 -0.727 -4.677 -6.677 1.00 0.00 N ATOM 841 CA LYS A 63 0.300 -3.900 -7.353 1.00 0.00 C ATOM 842 C LYS A 63 0.011 -2.408 -7.182 1.00 0.00 C ATOM 843 O LYS A 63 -1.119 -2.020 -6.916 1.00 0.00 O ATOM 844 CB LYS A 63 0.320 -4.260 -8.845 1.00 0.00 C ATOM 845 CG LYS A 63 1.593 -3.848 -9.571 1.00 0.00 C ATOM 846 CD LYS A 63 2.533 -5.029 -9.780 1.00 0.00 C ATOM 847 CE LYS A 63 3.032 -5.608 -8.464 1.00 0.00 C ATOM 848 NZ LYS A 63 3.808 -6.860 -8.672 1.00 0.00 N ATOM 0 H LYS A 63 -1.645 -4.232 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 63 1.273 -4.128 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.189 -5.337 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.532 -3.786 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.336 -3.413 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.104 -3.074 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.017 -5.806 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.385 -4.711 -10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.657 -4.873 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.183 -5.810 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.131 -7.225 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.204 -7.570 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.632 -6.662 -9.275 1.00 0.00 H new ATOM 858 N LEU A 64 1.033 -1.578 -7.303 1.00 0.00 N ATOM 859 CA LEU A 64 0.858 -0.135 -7.181 1.00 0.00 C ATOM 860 C LEU A 64 0.516 0.468 -8.539 1.00 0.00 C ATOM 861 O LEU A 64 1.282 0.348 -9.498 1.00 0.00 O ATOM 862 CB LEU A 64 2.126 0.505 -6.612 1.00 0.00 C ATOM 863 CG LEU A 64 2.395 0.191 -5.141 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.818 0.579 -4.760 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.394 0.910 -4.253 1.00 0.00 C ATOM 0 H LEU A 64 1.992 -1.875 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 64 0.034 0.065 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.980 0.173 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.056 1.586 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 64 2.281 -0.883 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.989 0.347 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.524 0.021 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.960 1.647 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.600 0.675 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.478 1.986 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.385 0.585 -4.506 1.00 0.00 H new ATOM 876 N GLU A 65 -0.641 1.125 -8.600 1.00 0.00 N ATOM 877 CA GLU A 65 -1.131 1.740 -9.828 1.00 0.00 C ATOM 878 C GLU A 65 -0.316 2.980 -10.178 1.00 0.00 C ATOM 879 O GLU A 65 0.242 3.087 -11.267 1.00 0.00 O ATOM 880 CB GLU A 65 -2.602 2.130 -9.660 1.00 0.00 C ATOM 881 CG GLU A 65 -3.254 2.661 -10.927 1.00 0.00 C ATOM 882 CD GLU A 65 -3.567 1.567 -11.929 1.00 0.00 C ATOM 883 OE1 GLU A 65 -2.629 1.041 -12.562 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.760 1.228 -12.085 1.00 0.00 O ATOM 0 H GLU A 65 -1.263 1.245 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.030 1.016 -10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.160 1.260 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.679 2.888 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.175 3.182 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.594 3.394 -11.390 1.00 0.00 H new ATOM 889 N GLU A 66 -0.246 3.908 -9.233 1.00 0.00 N ATOM 890 CA GLU A 66 0.484 5.150 -9.426 1.00 0.00 C ATOM 891 C GLU A 66 1.946 4.982 -9.053 1.00 0.00 C ATOM 892 O GLU A 66 2.670 5.961 -8.879 1.00 0.00 O ATOM 893 CB GLU A 66 -0.139 6.251 -8.580 1.00 0.00 C ATOM 894 CG GLU A 66 -1.587 6.526 -8.926 1.00 0.00 C ATOM 895 CD GLU A 66 -1.744 7.228 -10.258 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.757 6.542 -11.299 1.00 0.00 O ATOM 897 OE2 GLU A 66 -1.845 8.472 -10.267 1.00 0.00 O ATOM 0 H GLU A 66 -0.690 3.821 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 66 0.426 5.423 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.070 5.974 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.438 7.167 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.136 5.585 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.034 7.137 -8.142 1.00 0.00 H new ATOM 902 N GLY A 67 2.359 3.737 -8.902 1.00 0.00 N ATOM 903 CA GLY A 67 3.733 3.444 -8.551 1.00 0.00 C ATOM 904 C GLY A 67 4.069 3.847 -7.129 1.00 0.00 C ATOM 905 O GLY A 67 5.229 4.088 -6.805 1.00 0.00 O ATOM 0 H GLY A 67 1.764 2.917 -9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.916 2.377 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.399 3.964 -9.239 1.00 0.00 H new ATOM 909 N GLY A 68 3.050 3.942 -6.280 1.00 0.00 N ATOM 910 CA GLY A 68 3.289 4.308 -4.898 1.00 0.00 C ATOM 911 C GLY A 68 2.178 5.151 -4.310 1.00 0.00 C ATOM 912 O GLY A 68 1.832 4.999 -3.144 1.00 0.00 O ATOM 0 H GLY A 68 2.073 3.774 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.405 3.402 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.229 4.856 -4.830 1.00 0.00 H new ATOM 916 N ARG A 69 1.613 6.033 -5.124 1.00 0.00 N ATOM 917 CA ARG A 69 0.531 6.912 -4.677 1.00 0.00 C ATOM 918 C ARG A 69 -0.771 6.141 -4.491 1.00 0.00 C ATOM 919 O ARG A 69 -1.603 6.498 -3.661 1.00 0.00 O ATOM 920 CB ARG A 69 0.294 8.024 -5.700 1.00 0.00 C ATOM 921 CG ARG A 69 1.371 9.090 -5.744 1.00 0.00 C ATOM 922 CD ARG A 69 1.000 10.274 -4.869 1.00 0.00 C ATOM 923 NE ARG A 69 1.769 11.472 -5.202 1.00 0.00 N ATOM 924 CZ ARG A 69 1.655 12.150 -6.353 1.00 0.00 C ATOM 925 NH1 ARG A 69 0.815 11.747 -7.301 1.00 0.00 N ATOM 926 NH2 ARG A 69 2.374 13.249 -6.541 1.00 0.00 N ATOM 0 H ARG A 69 1.884 6.162 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 69 0.834 7.338 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.207 7.575 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.661 8.502 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.319 8.669 -5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.516 9.424 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.064 10.485 -4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.167 10.017 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 69 2.437 11.815 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.247 10.912 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.739 12.273 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.009 13.574 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.292 13.769 -7.415 1.00 0.00 H new ATOM 937 N LYS A 70 -0.936 5.078 -5.259 1.00 0.00 N ATOM 938 CA LYS A 70 -2.153 4.292 -5.205 1.00 0.00 C ATOM 939 C LYS A 70 -1.847 2.808 -5.311 1.00 0.00 C ATOM 940 O LYS A 70 -0.989 2.401 -6.096 1.00 0.00 O ATOM 941 CB LYS A 70 -3.059 4.707 -6.358 1.00 0.00 C ATOM 942 CG LYS A 70 -4.499 4.239 -6.233 1.00 0.00 C ATOM 943 CD LYS A 70 -5.257 4.466 -7.532 1.00 0.00 C ATOM 944 CE LYS A 70 -6.741 4.165 -7.392 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.446 5.167 -6.549 1.00 0.00 N ATOM 0 H LYS A 70 -0.242 4.741 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.647 4.472 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.050 5.794 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.644 4.317 -7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.521 3.180 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.991 4.775 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.126 5.500 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.832 3.836 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.199 4.140 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.868 3.174 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.998 4.677 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.749 5.793 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.085 5.732 -7.143 1.00 0.00 H new ATOM 955 N LEU A 71 -2.558 2.011 -4.533 1.00 0.00 N ATOM 956 CA LEU A 71 -2.386 0.569 -4.542 1.00 0.00 C ATOM 957 C LEU A 71 -3.631 -0.077 -5.138 1.00 0.00 C ATOM 958 O LEU A 71 -4.744 0.148 -4.660 1.00 0.00 O ATOM 959 CB LEU A 71 -2.133 0.064 -3.114 1.00 0.00 C ATOM 960 CG LEU A 71 -1.793 -1.426 -2.963 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.992 -1.652 -1.691 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.056 -2.279 -2.929 1.00 0.00 C ATOM 0 H LEU A 71 -3.268 2.343 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.524 0.300 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.316 0.645 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.020 0.274 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.199 -1.724 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.756 -2.712 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.067 -1.077 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.578 -1.330 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.783 -3.329 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.676 -1.977 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.613 -2.142 -3.856 1.00 0.00 H new ATOM 973 N THR A 72 -3.450 -0.853 -6.188 1.00 0.00 N ATOM 974 CA THR A 72 -4.558 -1.521 -6.836 1.00 0.00 C ATOM 975 C THR A 72 -4.491 -3.026 -6.611 1.00 0.00 C ATOM 976 O THR A 72 -3.442 -3.654 -6.777 1.00 0.00 O ATOM 977 CB THR A 72 -4.590 -1.213 -8.344 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.254 -1.104 -8.854 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.351 0.075 -8.613 1.00 0.00 C ATOM 0 H THR A 72 -2.540 -1.036 -6.612 1.00 0.00 H new ATOM 0 HA THR A 72 -5.477 -1.141 -6.389 1.00 0.00 H new ATOM 0 HB THR A 72 -5.101 -2.032 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.679 -1.761 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.362 0.274 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.375 -0.025 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.863 0.901 -8.095 1.00 0.00 H new ATOM 987 N CYS A 73 -5.613 -3.596 -6.216 1.00 0.00 N ATOM 988 CA CYS A 73 -5.700 -5.019 -5.955 1.00 0.00 C ATOM 989 C CYS A 73 -7.139 -5.476 -6.088 1.00 0.00 C ATOM 990 O CYS A 73 -8.053 -4.655 -6.177 1.00 0.00 O ATOM 991 CB CYS A 73 -5.179 -5.329 -4.550 1.00 0.00 C ATOM 992 SG CYS A 73 -6.031 -4.430 -3.233 1.00 0.00 S ATOM 0 H CYS A 73 -6.485 -3.089 -6.068 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.087 -5.553 -6.681 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.275 -6.399 -4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.116 -5.093 -4.508 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.522 -4.760 -2.083 1.00 0.00 H new ATOM 997 N ARG A 74 -7.345 -6.773 -6.131 1.00 0.00 N ATOM 998 CA ARG A 74 -8.684 -7.310 -6.231 1.00 0.00 C ATOM 999 C ARG A 74 -9.127 -7.851 -4.878 1.00 0.00 C ATOM 1000 O ARG A 74 -8.712 -8.936 -4.464 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.761 -8.393 -7.308 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.109 -9.097 -7.364 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.164 -10.150 -8.458 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.431 -10.874 -8.432 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.887 -11.622 -9.435 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.111 -11.885 -10.480 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.102 -12.150 -9.375 1.00 0.00 N ATOM 0 H ARG A 74 -6.605 -7.474 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.361 -6.508 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.554 -7.944 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.981 -9.132 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.312 -9.566 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.895 -8.360 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.034 -9.675 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.339 -10.851 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.004 -10.802 -7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.162 -11.514 -10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.464 -12.458 -11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.691 -11.984 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.448 -12.722 -10.145 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.949 -7.077 -4.162 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.465 -7.467 -2.854 1.00 0.00 C ATOM 1020 C PRO A 75 -11.479 -8.583 -2.981 1.00 0.00 C ATOM 1021 O PRO A 75 -12.505 -8.417 -3.639 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.161 -6.201 -2.356 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.566 -5.500 -3.603 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.458 -5.761 -4.579 1.00 0.00 C ATOM 0 HA PRO A 75 -9.681 -7.831 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.024 -6.438 -1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.491 -5.588 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.517 -5.879 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.695 -4.432 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.821 -5.776 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.685 -4.994 -4.526 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.190 -9.712 -2.375 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.087 -10.844 -2.425 1.00 0.00 C ATOM 1031 C LYS A 76 -12.534 -11.227 -1.032 1.00 0.00 C ATOM 1032 O LYS A 76 -11.729 -11.274 -0.104 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.421 -12.024 -3.123 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.019 -12.324 -2.610 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.965 -13.625 -1.828 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.171 -14.831 -2.732 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.204 -14.855 -3.864 1.00 0.00 N ATOM 0 H LYS A 76 -10.337 -9.871 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.968 -10.562 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.043 -12.910 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.372 -11.822 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.329 -12.378 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.683 -11.505 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.002 -13.708 -1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.731 -13.616 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.066 -15.744 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.188 -14.820 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.961 -15.840 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.633 -14.402 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.342 -14.339 -3.595 1.00 0.00 H new ATOM 1047 N THR A 77 -13.819 -11.492 -0.877 1.00 0.00 N ATOM 1048 CA THR A 77 -14.341 -11.864 0.417 1.00 0.00 C ATOM 1049 C THR A 77 -13.846 -13.253 0.785 1.00 0.00 C ATOM 1050 O THR A 77 -13.960 -14.194 -0.007 1.00 0.00 O ATOM 1051 CB THR A 77 -15.887 -11.823 0.468 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.339 -11.993 1.816 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.505 -12.905 -0.413 1.00 0.00 C ATOM 0 H THR A 77 -14.511 -11.456 -1.626 1.00 0.00 H new ATOM 0 HA THR A 77 -13.978 -11.132 1.139 1.00 0.00 H new ATOM 0 HB THR A 77 -16.204 -10.851 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.910 -11.326 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.592 -12.846 -0.353 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.190 -12.757 -1.446 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.175 -13.886 -0.070 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.283 -13.359 1.982 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.752 -14.617 2.486 1.00 0.00 C ATOM 1063 C VAL A 78 -13.888 -15.578 2.826 1.00 0.00 C ATOM 1064 O VAL A 78 -13.670 -16.771 3.030 1.00 0.00 O ATOM 1065 CB VAL A 78 -11.871 -14.369 3.729 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -12.699 -13.844 4.891 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -11.106 -15.623 4.130 1.00 0.00 C ATOM 0 H VAL A 78 -13.182 -12.577 2.629 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.137 -15.068 1.707 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.139 -13.606 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.053 -13.678 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.171 -12.904 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.468 -14.573 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.496 -15.412 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.811 -16.421 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.462 -15.935 3.308 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.104 -15.041 2.862 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.291 -15.834 3.157 1.00 0.00 C ATOM 1079 C ASP A 79 -16.454 -16.938 2.119 1.00 0.00 C ATOM 1080 O ASP A 79 -16.951 -18.026 2.415 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.525 -14.930 3.169 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.789 -15.669 3.552 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.934 -16.024 4.743 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.653 -15.877 2.673 1.00 0.00 O ATOM 0 H ASP A 79 -15.293 -14.054 2.689 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.180 -16.294 4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.363 -14.110 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.654 -14.486 2.182 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.995 -16.657 0.908 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.089 -17.627 -0.165 1.00 0.00 C ATOM 1090 C GLY A 80 -14.917 -17.544 -1.126 1.00 0.00 C ATOM 1091 O GLY A 80 -14.443 -18.562 -1.627 1.00 0.00 O ATOM 0 H GLY A 80 -15.558 -15.773 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.137 -18.630 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.017 -17.468 -0.714 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.432 -16.330 -1.365 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.320 -16.130 -2.274 1.00 0.00 C ATOM 1097 C GLY A 81 -13.738 -15.398 -3.531 1.00 0.00 C ATOM 1098 O GLY A 81 -12.993 -15.335 -4.508 1.00 0.00 O ATOM 0 H GLY A 81 -14.793 -15.475 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.537 -15.565 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.893 -17.096 -2.542 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.935 -14.843 -3.499 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.492 -14.128 -4.648 1.00 0.00 C ATOM 1104 C PHE A 82 -15.619 -12.647 -4.338 1.00 0.00 C ATOM 1105 O PHE A 82 -15.758 -12.298 -3.171 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.860 -14.715 -5.021 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.755 -14.960 -3.835 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.587 -13.961 -3.355 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.751 -16.187 -3.195 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.398 -14.186 -2.260 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.556 -16.416 -2.099 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.380 -15.414 -1.630 1.00 0.00 C ATOM 0 H PHE A 82 -15.550 -14.871 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.817 -14.246 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.362 -14.036 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.710 -15.655 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.601 -12.997 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.109 -16.976 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.046 -13.402 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.541 -17.378 -1.609 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.010 -15.590 -0.771 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.566 -11.791 -5.369 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.706 -10.337 -5.195 1.00 0.00 C ATOM 1123 C ARG A 83 -15.309 -9.569 -6.455 1.00 0.00 C ATOM 1124 O ARG A 83 -15.289 -10.127 -7.552 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.854 -9.851 -4.042 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.567 -8.912 -3.082 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.536 -9.668 -2.193 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.827 -9.899 -2.839 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.903 -10.360 -2.200 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.868 -10.571 -0.891 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.029 -10.584 -2.860 1.00 0.00 N ATOM 0 H ARG A 83 -15.427 -12.082 -6.337 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.759 -10.148 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.493 -10.715 -3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.978 -9.342 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.834 -8.392 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.105 -8.151 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.096 -10.626 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.690 -9.108 -1.271 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.909 -9.696 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.014 -10.381 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.695 -10.924 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.077 -10.404 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.848 -10.937 -2.366 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.970 -8.290 -6.271 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.604 -7.402 -7.374 1.00 0.00 C ATOM 1144 C GLU A 84 -13.164 -6.915 -7.229 1.00 0.00 C ATOM 1145 O GLU A 84 -12.432 -7.364 -6.354 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.532 -6.184 -7.381 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.015 -6.516 -7.362 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.423 -7.464 -8.472 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -16.992 -7.263 -9.625 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.184 -8.414 -8.193 1.00 0.00 O ATOM 0 H GLU A 84 -14.942 -7.843 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.700 -7.961 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.301 -5.563 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.319 -5.587 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.270 -6.960 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.589 -5.594 -7.450 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.767 -5.991 -8.101 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.426 -5.410 -8.062 1.00 0.00 C ATOM 1157 C ARG A 85 -11.536 -3.922 -7.754 1.00 0.00 C ATOM 1158 O ARG A 85 -12.532 -3.296 -8.108 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.700 -5.616 -9.393 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.229 -5.226 -9.360 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.564 -5.455 -10.705 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.135 -5.141 -10.675 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.377 -5.011 -11.765 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.895 -5.200 -12.970 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.091 -4.714 -11.651 1.00 0.00 N ATOM 0 H ARG A 85 -13.359 -5.626 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.849 -5.909 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.782 -6.664 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.203 -5.033 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.136 -4.177 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.714 -5.807 -8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.700 -6.495 -11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.054 -4.840 -11.460 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.692 -5.014 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.880 -5.447 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.309 -5.099 -13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.678 -4.584 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.514 -4.615 -12.487 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.512 -3.358 -7.120 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.529 -1.937 -6.743 1.00 0.00 C ATOM 1178 C GLN A 86 -9.124 -1.375 -6.534 1.00 0.00 C ATOM 1179 O GLN A 86 -8.121 -2.016 -6.858 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.333 -1.745 -5.453 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.826 -1.559 -5.669 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.608 -1.653 -4.377 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.827 -0.658 -3.685 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -14.032 -2.856 -4.045 1.00 0.00 N ATOM 0 H GLN A 86 -9.662 -3.855 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.993 -1.397 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.176 -2.610 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.944 -0.877 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.006 -0.588 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.187 -2.315 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.828 -3.653 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.564 -2.990 -3.185 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.075 -0.161 -5.995 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.819 0.505 -5.719 1.00 0.00 C ATOM 1193 C GLY A 87 -7.977 1.532 -4.613 1.00 0.00 C ATOM 1194 O GLY A 87 -9.033 2.150 -4.495 1.00 0.00 O ATOM 0 H GLY A 87 -9.901 0.381 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.069 -0.232 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.456 0.993 -6.624 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.943 1.704 -3.800 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.978 2.659 -2.692 1.00 0.00 C ATOM 1200 C ILE A 88 -5.758 3.582 -2.742 1.00 0.00 C ATOM 1201 O ILE A 88 -4.658 3.150 -3.104 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.035 1.926 -1.325 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.060 2.927 -0.167 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.860 0.965 -1.175 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.195 2.272 1.190 1.00 0.00 C ATOM 0 H ILE A 88 -6.064 1.193 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.881 3.260 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.958 1.347 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.144 3.518 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.889 3.619 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.921 0.463 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.893 0.223 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.925 1.522 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.206 3.039 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.124 1.704 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.352 1.601 1.356 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.959 4.853 -2.407 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.874 5.825 -2.414 1.00 0.00 C ATOM 1218 C ASP A 89 -4.071 5.742 -1.128 1.00 0.00 C ATOM 1219 O ASP A 89 -4.629 5.695 -0.028 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.401 7.251 -2.611 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.754 7.552 -4.054 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -6.902 7.290 -4.459 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -4.882 8.053 -4.795 1.00 0.00 O ATOM 0 H ASP A 89 -6.864 5.233 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.224 5.583 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.283 7.397 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.649 7.962 -2.270 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.758 5.734 -1.272 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.858 5.642 -0.134 1.00 0.00 C ATOM 1229 C LEU A 90 -1.296 7.005 0.213 1.00 0.00 C ATOM 1230 O LEU A 90 -0.129 7.144 0.579 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.717 4.695 -0.449 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.127 3.368 -1.071 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.109 2.556 -1.376 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.071 2.605 -0.153 1.00 0.00 C ATOM 0 H LEU A 90 -2.287 5.791 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.423 5.263 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.026 5.197 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.170 4.492 0.472 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.664 3.560 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.181 1.605 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.742 3.105 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.660 2.371 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.349 1.660 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.574 2.407 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.967 3.200 0.023 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.152 8.000 0.124 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.774 9.379 0.421 1.00 0.00 C ATOM 1247 C ASN A 91 -1.616 9.592 1.921 1.00 0.00 C ATOM 1248 O ASN A 91 -1.349 10.698 2.385 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.799 10.353 -0.162 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.437 10.796 -1.571 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.749 11.801 -1.753 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -2.885 10.052 -2.577 1.00 0.00 N ATOM 0 H ASN A 91 -3.127 7.885 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.809 9.575 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.781 9.880 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.874 11.228 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.661 10.307 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.453 9.226 -2.387 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.781 8.513 2.667 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.651 8.537 4.113 1.00 0.00 C ATOM 1260 C ARG A 92 -0.261 8.077 4.530 1.00 0.00 C ATOM 1261 O ARG A 92 0.129 8.197 5.690 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.690 7.620 4.744 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.117 8.102 4.598 1.00 0.00 C ATOM 1264 CD ARG A 92 -4.999 7.470 5.654 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.689 7.985 6.983 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.603 8.317 7.893 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.899 8.249 7.604 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.205 8.739 9.082 1.00 0.00 N ATOM 0 H ARG A 92 -2.009 7.595 2.286 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.808 9.560 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.605 6.631 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.463 7.509 5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.152 9.188 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.492 7.853 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.046 7.666 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.867 6.388 5.641 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.706 8.098 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.200 7.941 6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.592 8.505 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.209 8.807 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.894 8.997 9.789 1.00 0.00 H new ATOM 1279 N ILE A 93 0.482 7.534 3.581 1.00 0.00 N ATOM 1280 CA ILE A 93 1.821 7.044 3.859 1.00 0.00 C ATOM 1281 C ILE A 93 2.839 8.111 3.484 1.00 0.00 C ATOM 1282 O ILE A 93 3.129 8.337 2.306 1.00 0.00 O ATOM 1283 CB ILE A 93 2.103 5.721 3.105 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.928 4.758 3.285 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.385 5.065 3.605 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.596 4.475 4.739 1.00 0.00 C ATOM 0 H ILE A 93 0.181 7.421 2.613 1.00 0.00 H new ATOM 0 HA ILE A 93 1.902 6.832 4.925 1.00 0.00 H new ATOM 0 HB ILE A 93 2.227 5.954 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.048 5.174 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.158 3.818 2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.557 4.138 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.225 5.741 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.291 4.846 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.246 3.785 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.461 4.030 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.334 5.407 5.240 1.00 0.00 H new ATOM 1297 N GLN A 94 3.351 8.789 4.499 1.00 0.00 N ATOM 1298 CA GLN A 94 4.314 9.862 4.305 1.00 0.00 C ATOM 1299 C GLN A 94 5.712 9.446 4.745 1.00 0.00 C ATOM 1300 O GLN A 94 5.879 8.576 5.600 1.00 0.00 O ATOM 1301 CB GLN A 94 3.890 11.097 5.107 1.00 0.00 C ATOM 1302 CG GLN A 94 3.008 12.072 4.346 1.00 0.00 C ATOM 1303 CD GLN A 94 3.781 12.851 3.302 1.00 0.00 C ATOM 1304 OE1 GLN A 94 4.336 13.914 3.581 1.00 0.00 O ATOM 1305 NE2 GLN A 94 3.820 12.335 2.089 1.00 0.00 N ATOM 0 H GLN A 94 3.113 8.613 5.475 1.00 0.00 H new ATOM 0 HA GLN A 94 4.338 10.093 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.360 10.769 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.785 11.622 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.198 11.525 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.548 12.767 5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.348 11.452 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.322 12.819 1.345 1.00 0.00 H new ATOM 1312 N ASN A 95 6.710 10.077 4.149 1.00 0.00 N ATOM 1313 CA ASN A 95 8.099 9.818 4.484 1.00 0.00 C ATOM 1314 C ASN A 95 8.706 11.050 5.157 1.00 0.00 C ATOM 1315 O ASN A 95 8.865 12.104 4.536 1.00 0.00 O ATOM 1316 CB ASN A 95 8.907 9.420 3.237 1.00 0.00 C ATOM 1317 CG ASN A 95 8.907 10.479 2.140 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.945 11.229 1.965 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.992 10.542 1.385 1.00 0.00 N ATOM 0 H ASN A 95 6.580 10.781 3.422 1.00 0.00 H new ATOM 0 HA ASN A 95 8.139 8.980 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.936 9.216 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.501 8.492 2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.050 11.227 0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.771 9.906 1.557 1.00 0.00 H new ATOM 1325 N VAL A 96 9.019 10.923 6.435 1.00 0.00 N ATOM 1326 CA VAL A 96 9.597 12.023 7.191 1.00 0.00 C ATOM 1327 C VAL A 96 11.050 11.708 7.554 1.00 0.00 C ATOM 1328 O VAL A 96 11.341 10.697 8.194 1.00 0.00 O ATOM 1329 CB VAL A 96 8.759 12.348 8.454 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.673 11.156 9.398 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.314 13.571 9.170 1.00 0.00 C ATOM 0 H VAL A 96 8.883 10.067 6.973 1.00 0.00 H new ATOM 0 HA VAL A 96 9.583 12.913 6.562 1.00 0.00 H new ATOM 0 HB VAL A 96 7.745 12.574 8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.077 11.425 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.204 10.317 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.676 10.871 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.711 13.781 10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.344 13.380 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.286 14.430 8.499 1.00 0.00 H new ATOM 1341 N ASN A 97 11.960 12.565 7.095 1.00 0.00 N ATOM 1342 CA ASN A 97 13.394 12.392 7.328 1.00 0.00 C ATOM 1343 C ASN A 97 13.858 11.065 6.749 1.00 0.00 C ATOM 1344 O ASN A 97 14.810 10.463 7.231 1.00 0.00 O ATOM 1345 CB ASN A 97 13.754 12.471 8.821 1.00 0.00 C ATOM 1346 CG ASN A 97 13.851 13.899 9.327 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.891 14.543 9.199 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.785 14.389 9.934 1.00 0.00 N ATOM 0 H ASN A 97 11.726 13.397 6.553 1.00 0.00 H new ATOM 0 HA ASN A 97 13.908 13.212 6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.002 11.935 9.400 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.705 11.966 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.806 15.334 10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.941 13.822 10.020 1.00 0.00 H new ATOM 1354 N GLY A 98 13.178 10.617 5.706 1.00 0.00 N ATOM 1355 CA GLY A 98 13.522 9.357 5.081 1.00 0.00 C ATOM 1356 C GLY A 98 12.814 8.178 5.722 1.00 0.00 C ATOM 1357 O GLY A 98 12.849 7.069 5.196 1.00 0.00 O ATOM 0 H GLY A 98 12.391 11.105 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.266 9.398 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.600 9.207 5.143 1.00 0.00 H new ATOM 1361 N ARG A 99 12.163 8.416 6.850 1.00 0.00 N ATOM 1362 CA ARG A 99 11.451 7.361 7.556 1.00 0.00 C ATOM 1363 C ARG A 99 10.002 7.301 7.091 1.00 0.00 C ATOM 1364 O ARG A 99 9.288 8.303 7.133 1.00 0.00 O ATOM 1365 CB ARG A 99 11.504 7.579 9.075 1.00 0.00 C ATOM 1366 CG ARG A 99 12.846 7.244 9.715 1.00 0.00 C ATOM 1367 CD ARG A 99 13.942 8.244 9.355 1.00 0.00 C ATOM 1368 NE ARG A 99 15.189 7.942 10.063 1.00 0.00 N ATOM 1369 CZ ARG A 99 16.298 8.681 10.014 1.00 0.00 C ATOM 1370 NH1 ARG A 99 16.363 9.751 9.233 1.00 0.00 N ATOM 1371 NH2 ARG A 99 17.347 8.325 10.740 1.00 0.00 N ATOM 0 H ARG A 99 12.113 9.331 7.297 1.00 0.00 H new ATOM 0 HA ARG A 99 11.941 6.414 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.264 8.621 9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.730 6.971 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.729 7.215 10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.154 6.247 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.117 8.224 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.614 9.253 9.605 1.00 0.00 H new ATOM 0 HE ARG A 99 15.210 7.100 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.560 10.016 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.216 10.309 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.301 7.493 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.201 8.883 10.710 1.00 0.00 H new ATOM 1382 N LEU A 100 9.573 6.132 6.641 1.00 0.00 N ATOM 1383 CA LEU A 100 8.209 5.958 6.169 1.00 0.00 C ATOM 1384 C LEU A 100 7.280 5.729 7.355 1.00 0.00 C ATOM 1385 O LEU A 100 7.427 4.747 8.080 1.00 0.00 O ATOM 1386 CB LEU A 100 8.128 4.777 5.201 1.00 0.00 C ATOM 1387 CG LEU A 100 7.167 4.967 4.033 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.665 6.082 3.134 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.018 3.674 3.247 1.00 0.00 C ATOM 0 H LEU A 100 10.149 5.291 6.593 1.00 0.00 H new ATOM 0 HA LEU A 100 7.899 6.860 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.124 4.583 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.828 3.890 5.758 1.00 0.00 H new ATOM 0 HG LEU A 100 6.187 5.240 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.975 6.214 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.727 7.009 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.652 5.826 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.328 3.830 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.990 3.370 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.629 2.894 3.901 1.00 0.00 H new ATOM 1400 N VAL A 101 6.338 6.637 7.560 1.00 0.00 N ATOM 1401 CA VAL A 101 5.408 6.529 8.673 1.00 0.00 C ATOM 1402 C VAL A 101 3.973 6.678 8.193 1.00 0.00 C ATOM 1403 O VAL A 101 3.678 7.525 7.349 1.00 0.00 O ATOM 1404 CB VAL A 101 5.666 7.620 9.739 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.854 7.347 11.001 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.150 7.729 10.067 1.00 0.00 C ATOM 0 H VAL A 101 6.198 7.457 6.970 1.00 0.00 H new ATOM 0 HA VAL A 101 5.562 5.544 9.113 1.00 0.00 H new ATOM 0 HB VAL A 101 5.343 8.575 9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.051 8.127 11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.792 7.340 10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.138 6.379 11.414 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.300 8.504 10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.508 6.775 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.704 7.987 9.164 1.00 0.00 H new ATOM 1416 N PHE A 102 3.086 5.850 8.722 1.00 0.00 N ATOM 1417 CA PHE A 102 1.684 5.938 8.369 1.00 0.00 C ATOM 1418 C PHE A 102 1.032 7.046 9.171 1.00 0.00 C ATOM 1419 O PHE A 102 1.110 7.075 10.404 1.00 0.00 O ATOM 1420 CB PHE A 102 0.944 4.619 8.610 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.548 4.795 8.727 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.283 5.396 7.711 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.213 4.369 9.863 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.642 5.570 7.834 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.575 4.540 9.986 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.289 5.142 8.973 1.00 0.00 C ATOM 0 H PHE A 102 3.313 5.115 9.392 1.00 0.00 H new ATOM 0 HA PHE A 102 1.622 6.157 7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.160 3.932 7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.323 4.157 9.522 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.781 5.730 6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.659 3.898 10.661 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.201 6.041 7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.083 4.202 10.877 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.356 5.278 9.072 1.00 0.00 H new ATOM 1435 N GLN A 103 0.399 7.954 8.468 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.272 9.066 9.097 1.00 0.00 C ATOM 1437 C GLN A 103 -1.724 9.147 8.648 1.00 0.00 C ATOM 1438 O GLN A 103 -2.609 8.805 9.458 1.00 0.00 O ATOM 1439 CB GLN A 103 0.479 10.359 8.800 1.00 0.00 C ATOM 1440 CG GLN A 103 1.743 10.522 9.629 1.00 0.00 C ATOM 1441 CD GLN A 103 2.465 11.826 9.366 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.193 12.837 10.012 1.00 0.00 O ATOM 1443 NE2 GLN A 103 3.400 11.810 8.428 1.00 0.00 N ATOM 1444 OXT GLN A 103 -1.975 9.515 7.486 1.00 0.00 O ATOM 0 H GLN A 103 0.334 7.944 7.450 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.276 8.914 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.740 10.385 7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.181 11.206 8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.486 10.463 10.687 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.417 9.692 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.594 10.950 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.926 12.658 8.218 1.00 0.00 H new