USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 972 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: D 45 HIS : no HD1:sc= -1.3 K(o=-4.4,f=-3.1) USER MOD Set 1.2: D 48 GLN : amide:sc= -3.15! C(o=-4.4!,f=-10!) USER MOD Set 2.1: C 45 HIS : no HE2:sc= -0.515 K(o=-1,f=-5.6!) USER MOD Set 2.2: C 48 GLN : amide:sc= -0.534 K(o=-1,f=-2.8!) USER MOD Set 3.1: B 47 ASN : amide:sc= -0.517! K(o=-14!,f=-1.3) USER MOD Set 3.2: C 47 ASN : amide:sc= -13.1! C(o=-14!,f=-1.3!) USER MOD Set 4.1: B 45 HIS : no HD1:sc= -4.62! C(o=-11!,f=-9.5!) USER MOD Set 4.2: B 48 GLN : amide:sc= -6.67! C(o=-11!,f=-13!) USER MOD Set 5.1: B 37 HIS : no HD1:sc= -0.358 K(o=-9.9,f=-10) USER MOD Set 5.2: C 37 HIS : no HD1:sc= -9.53! C(o=-9.9!,f=-14!) USER MOD Set 6.1: A 37 HIS : no HD1:sc= -18.4! C(o=-29!,f=-37!) USER MOD Set 6.2: D 37 HIS : no HE2:sc= -10.2! C(o=-29!,f=-32!) USER MOD Single : A 23 SER OG : rot 24:sc= 0.306 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -105:sc= 1.17 USER MOD Single : A 45 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.222 K(o=-0.22,f=-4.3!) USER MOD Single : A 48 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= -1.66 (180deg=-4.02!) USER MOD Single : B 23 SER OG : rot -30:sc= 0.204 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -79:sc= 0.645 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 SER OG : rot 33:sc= 0.911 USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot -81:sc= 0.805 USER MOD Single : C 50 LYS NZ :NH3+ -125:sc= -1.53 (180deg=-3.84!) USER MOD Single : D 23 SER OG : rot -29:sc= 0.0589 USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -80:sc= 0.766 USER MOD Single : D 47 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.1!) USER MOD Single : D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 23 73.991 0.738 4.732 1.00 0.00 N ATOM 2 CA SER A 23 72.987 1.835 4.626 1.00 0.00 C ATOM 3 C SER A 23 73.449 2.845 3.581 1.00 0.00 C ATOM 4 O SER A 23 72.666 3.274 2.733 1.00 0.00 O ATOM 5 CB SER A 23 72.838 2.520 5.984 1.00 0.00 C ATOM 6 OG SER A 23 72.660 1.531 6.991 1.00 0.00 O ATOM 0 HA SER A 23 72.023 1.424 4.325 1.00 0.00 H new ATOM 0 HB2 SER A 23 73.721 3.121 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 23 71.986 3.199 5.970 1.00 0.00 H new ATOM 0 HG SER A 23 73.033 0.679 6.682 1.00 0.00 H new ATOM 11 N ASP A 24 74.705 3.219 3.649 1.00 0.00 N ATOM 12 CA ASP A 24 75.275 4.191 2.708 1.00 0.00 C ATOM 13 C ASP A 24 76.573 3.667 2.092 1.00 0.00 C ATOM 14 O ASP A 24 77.645 4.230 2.317 1.00 0.00 O ATOM 15 CB ASP A 24 75.562 5.505 3.438 1.00 0.00 C ATOM 16 CG ASP A 24 74.295 6.011 4.119 1.00 0.00 C ATOM 17 OD1 ASP A 24 73.820 5.338 5.019 1.00 0.00 O ATOM 18 OD2 ASP A 24 73.819 7.065 3.732 1.00 0.00 O ATOM 0 H ASP A 24 75.365 2.871 4.345 1.00 0.00 H new ATOM 0 HA ASP A 24 74.551 4.354 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 24 76.348 5.355 4.179 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.928 6.250 2.732 1.00 0.00 H new ATOM 23 N PRO A 25 76.496 2.615 1.319 1.00 0.00 N ATOM 24 CA PRO A 25 77.688 2.015 0.650 1.00 0.00 C ATOM 25 C PRO A 25 78.098 2.812 -0.593 1.00 0.00 C ATOM 26 O PRO A 25 78.316 2.249 -1.665 1.00 0.00 O ATOM 27 CB PRO A 25 77.204 0.608 0.284 1.00 0.00 C ATOM 28 CG PRO A 25 75.735 0.767 0.044 1.00 0.00 C ATOM 29 CD PRO A 25 75.262 1.875 0.998 1.00 0.00 C ATOM 0 HA PRO A 25 78.576 2.011 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.713 0.232 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.400 -0.101 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.537 1.036 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.206 -0.166 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 25 74.521 2.520 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 25 74.800 1.461 1.894 1.00 0.00 H new ATOM 37 N LEU A 26 78.191 4.103 -0.434 1.00 0.00 N ATOM 38 CA LEU A 26 78.567 4.982 -1.538 1.00 0.00 C ATOM 39 C LEU A 26 80.039 4.804 -1.910 1.00 0.00 C ATOM 40 O LEU A 26 80.391 4.771 -3.089 1.00 0.00 O ATOM 41 CB LEU A 26 78.310 6.443 -1.143 1.00 0.00 C ATOM 42 CG LEU A 26 78.531 7.377 -2.346 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.441 7.152 -3.412 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.483 8.833 -1.860 1.00 0.00 C ATOM 0 H LEU A 26 78.013 4.584 0.448 1.00 0.00 H new ATOM 0 HA LEU A 26 77.961 4.719 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.290 6.551 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 26 78.976 6.727 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 26 79.502 7.162 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.613 7.821 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.476 6.118 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.462 7.358 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.639 9.504 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.511 9.035 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.266 8.995 -1.119 1.00 0.00 H new ATOM 56 N VAL A 27 80.879 4.712 -0.917 1.00 0.00 N ATOM 57 CA VAL A 27 82.313 4.558 -1.145 1.00 0.00 C ATOM 58 C VAL A 27 82.647 3.180 -1.711 1.00 0.00 C ATOM 59 O VAL A 27 83.490 3.053 -2.601 1.00 0.00 O ATOM 60 CB VAL A 27 83.069 4.764 0.168 1.00 0.00 C ATOM 61 CG1 VAL A 27 84.572 4.624 -0.080 1.00 0.00 C ATOM 62 CG2 VAL A 27 82.771 6.162 0.715 1.00 0.00 C ATOM 0 H VAL A 27 80.607 4.740 0.066 1.00 0.00 H new ATOM 0 HA VAL A 27 82.618 5.308 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 27 82.749 4.014 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 27 85.110 4.771 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 27 84.785 3.628 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 27 84.893 5.373 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 27 83.310 6.309 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 27 83.090 6.912 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 27 81.700 6.262 0.893 1.00 0.00 H new ATOM 72 N VAL A 28 82.002 2.171 -1.197 1.00 0.00 N ATOM 73 CA VAL A 28 82.248 0.807 -1.656 1.00 0.00 C ATOM 74 C VAL A 28 81.754 0.619 -3.088 1.00 0.00 C ATOM 75 O VAL A 28 82.453 0.050 -3.927 1.00 0.00 O ATOM 76 CB VAL A 28 81.547 -0.189 -0.731 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.823 -1.614 -1.212 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.081 -0.016 0.693 1.00 0.00 C ATOM 0 H VAL A 28 81.301 2.253 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 28 83.323 0.626 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 28 80.472 -0.007 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.323 -2.324 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.446 -1.735 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.897 -1.801 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.584 -0.724 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.155 -0.201 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 81.884 1.000 1.034 1.00 0.00 H new ATOM 88 N ALA A 29 80.565 1.085 -3.352 1.00 0.00 N ATOM 89 CA ALA A 29 79.983 0.955 -4.684 1.00 0.00 C ATOM 90 C ALA A 29 80.963 1.430 -5.755 1.00 0.00 C ATOM 91 O ALA A 29 81.047 0.845 -6.835 1.00 0.00 O ATOM 92 CB ALA A 29 78.694 1.774 -4.771 1.00 0.00 C ATOM 0 H ALA A 29 79.971 1.560 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 29 79.760 -0.098 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.265 1.672 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 77.981 1.411 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 29 78.916 2.823 -4.577 1.00 0.00 H new ATOM 98 N ALA A 30 81.680 2.479 -5.459 1.00 0.00 N ATOM 99 CA ALA A 30 82.642 3.035 -6.407 1.00 0.00 C ATOM 100 C ALA A 30 83.747 2.030 -6.736 1.00 0.00 C ATOM 101 O ALA A 30 84.235 1.981 -7.864 1.00 0.00 O ATOM 102 CB ALA A 30 83.265 4.304 -5.825 1.00 0.00 C ATOM 0 H ALA A 30 81.626 2.976 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 30 82.109 3.270 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.982 4.716 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.483 5.038 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 30 83.775 4.064 -4.892 1.00 0.00 H new ATOM 108 N SER A 31 84.133 1.253 -5.763 1.00 0.00 N ATOM 109 CA SER A 31 85.190 0.263 -5.964 1.00 0.00 C ATOM 110 C SER A 31 84.820 -0.712 -7.080 1.00 0.00 C ATOM 111 O SER A 31 85.668 -1.101 -7.883 1.00 0.00 O ATOM 112 CB SER A 31 85.432 -0.514 -4.670 1.00 0.00 C ATOM 113 OG SER A 31 86.489 -1.442 -4.872 1.00 0.00 O ATOM 0 H SER A 31 83.742 1.274 -4.821 1.00 0.00 H new ATOM 0 HA SER A 31 86.099 0.792 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.684 0.172 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.524 -1.038 -4.371 1.00 0.00 H new ATOM 0 HG SER A 31 86.649 -1.941 -4.044 1.00 0.00 H new ATOM 119 N ILE A 32 83.576 -1.099 -7.116 1.00 0.00 N ATOM 120 CA ILE A 32 83.100 -2.035 -8.130 1.00 0.00 C ATOM 121 C ILE A 32 83.493 -1.578 -9.534 1.00 0.00 C ATOM 122 O ILE A 32 83.680 -2.396 -10.434 1.00 0.00 O ATOM 123 CB ILE A 32 81.578 -2.162 -8.040 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.189 -2.591 -6.621 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.093 -3.209 -9.045 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.671 -2.499 -6.450 1.00 0.00 C ATOM 0 H ILE A 32 82.861 -0.787 -6.459 1.00 0.00 H new ATOM 0 HA ILE A 32 83.565 -3.003 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 32 81.116 -1.202 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.524 -3.611 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.686 -1.954 -5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.009 -3.300 -8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.373 -2.903 -10.053 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.552 -4.171 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.399 -2.805 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.348 -1.472 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.183 -3.155 -7.171 1.00 0.00 H new ATOM 138 N ILE A 33 83.604 -0.292 -9.714 1.00 0.00 N ATOM 139 CA ILE A 33 83.964 0.264 -11.014 1.00 0.00 C ATOM 140 C ILE A 33 85.422 -0.054 -11.351 1.00 0.00 C ATOM 141 O ILE A 33 85.785 -0.178 -12.522 1.00 0.00 O ATOM 142 CB ILE A 33 83.736 1.789 -11.020 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.278 2.092 -10.613 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.002 2.355 -12.429 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.934 3.557 -10.911 1.00 0.00 C ATOM 0 H ILE A 33 83.453 0.403 -8.983 1.00 0.00 H new ATOM 0 HA ILE A 33 83.328 -0.191 -11.773 1.00 0.00 H new ATOM 0 HB ILE A 33 84.420 2.256 -10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.598 1.435 -11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.140 1.888 -9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.839 3.433 -12.425 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.032 2.145 -12.717 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.323 1.888 -13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.903 3.755 -10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.602 4.209 -10.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.052 3.749 -11.977 1.00 0.00 H new ATOM 157 N GLY A 34 86.241 -0.174 -10.343 1.00 0.00 N ATOM 158 CA GLY A 34 87.658 -0.461 -10.550 1.00 0.00 C ATOM 159 C GLY A 34 87.887 -1.849 -11.143 1.00 0.00 C ATOM 160 O GLY A 34 88.645 -2.003 -12.100 1.00 0.00 O ATOM 0 H GLY A 34 85.965 -0.080 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.085 0.290 -11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.185 -0.383 -9.599 1.00 0.00 H new ATOM 164 N ILE A 35 87.260 -2.841 -10.579 1.00 0.00 N ATOM 165 CA ILE A 35 87.432 -4.205 -11.068 1.00 0.00 C ATOM 166 C ILE A 35 86.837 -4.368 -12.467 1.00 0.00 C ATOM 167 O ILE A 35 87.297 -5.199 -13.250 1.00 0.00 O ATOM 168 CB ILE A 35 86.775 -5.209 -10.113 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.307 -4.998 -8.676 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.118 -6.629 -10.578 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.593 -3.829 -7.965 1.00 0.00 C ATOM 0 H ILE A 35 86.627 -2.747 -9.785 1.00 0.00 H new ATOM 0 HA ILE A 35 88.503 -4.404 -11.117 1.00 0.00 H new ATOM 0 HB ILE A 35 85.695 -5.062 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.169 -5.913 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 35 88.379 -4.802 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.656 -7.353 -9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.742 -6.781 -11.590 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.200 -6.764 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.996 -3.715 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 35 86.753 -2.909 -8.527 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.525 -4.037 -7.906 1.00 0.00 H new ATOM 183 N LEU A 36 85.822 -3.603 -12.760 1.00 0.00 N ATOM 184 CA LEU A 36 85.164 -3.692 -14.061 1.00 0.00 C ATOM 185 C LEU A 36 86.129 -3.371 -15.202 1.00 0.00 C ATOM 186 O LEU A 36 86.157 -4.072 -16.209 1.00 0.00 O ATOM 187 CB LEU A 36 83.962 -2.734 -14.109 1.00 0.00 C ATOM 188 CG LEU A 36 82.973 -3.164 -15.216 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.992 -4.214 -14.675 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.172 -1.946 -15.695 1.00 0.00 C ATOM 0 H LEU A 36 85.424 -2.909 -12.127 1.00 0.00 H new ATOM 0 HA LEU A 36 84.819 -4.718 -14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.456 -2.727 -13.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.307 -1.717 -14.296 1.00 0.00 H new ATOM 0 HG LEU A 36 83.542 -3.588 -16.043 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.301 -4.508 -15.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 82.546 -5.088 -14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.431 -3.792 -13.841 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.476 -2.253 -16.476 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.616 -1.524 -14.858 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.855 -1.195 -16.092 1.00 0.00 H new ATOM 202 N HIS A 37 86.884 -2.319 -15.069 1.00 0.00 N ATOM 203 CA HIS A 37 87.811 -1.942 -16.131 1.00 0.00 C ATOM 204 C HIS A 37 88.855 -3.034 -16.374 1.00 0.00 C ATOM 205 O HIS A 37 89.373 -3.164 -17.483 1.00 0.00 O ATOM 206 CB HIS A 37 88.497 -0.608 -15.809 1.00 0.00 C ATOM 207 CG HIS A 37 89.433 -0.761 -14.639 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.360 -1.788 -14.556 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.600 -0.012 -13.503 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.035 -1.632 -13.404 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.612 -0.564 -12.723 1.00 0.00 N ATOM 0 H HIS A 37 86.887 -1.706 -14.254 1.00 0.00 H new ATOM 0 HA HIS A 37 87.231 -1.822 -17.046 1.00 0.00 H new ATOM 0 HB2 HIS A 37 89.050 -0.258 -16.681 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.745 0.148 -15.584 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.033 0.872 -13.252 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.823 -2.290 -13.070 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.956 -0.226 -11.825 1.00 0.00 H new ATOM 220 N PHE A 38 89.175 -3.789 -15.355 1.00 0.00 N ATOM 221 CA PHE A 38 90.180 -4.846 -15.473 1.00 0.00 C ATOM 222 C PHE A 38 89.796 -5.908 -16.505 1.00 0.00 C ATOM 223 O PHE A 38 90.610 -6.259 -17.359 1.00 0.00 O ATOM 224 CB PHE A 38 90.371 -5.509 -14.106 1.00 0.00 C ATOM 225 CG PHE A 38 91.543 -6.463 -14.149 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.852 -5.964 -14.138 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.323 -7.846 -14.189 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.938 -6.847 -14.169 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.410 -8.728 -14.218 1.00 0.00 C ATOM 230 CZ PHE A 38 93.717 -8.229 -14.208 1.00 0.00 C ATOM 0 H PHE A 38 88.761 -3.701 -14.427 1.00 0.00 H new ATOM 0 HA PHE A 38 91.107 -4.385 -15.814 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.540 -4.748 -13.345 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.465 -6.046 -13.824 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.023 -4.898 -14.106 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.314 -8.232 -14.197 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.947 -6.462 -14.163 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.239 -9.794 -14.248 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.555 -8.910 -14.230 1.00 0.00 H new ATOM 240 N ILE A 39 88.599 -6.429 -16.425 1.00 0.00 N ATOM 241 CA ILE A 39 88.190 -7.467 -17.370 1.00 0.00 C ATOM 242 C ILE A 39 88.298 -6.969 -18.812 1.00 0.00 C ATOM 243 O ILE A 39 88.708 -7.715 -19.701 1.00 0.00 O ATOM 244 CB ILE A 39 86.757 -7.944 -17.083 1.00 0.00 C ATOM 245 CG1 ILE A 39 85.854 -6.743 -16.806 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.754 -8.863 -15.858 1.00 0.00 C ATOM 247 CD1 ILE A 39 84.389 -7.182 -16.855 1.00 0.00 C ATOM 0 H ILE A 39 87.895 -6.167 -15.735 1.00 0.00 H new ATOM 0 HA ILE A 39 88.867 -8.311 -17.242 1.00 0.00 H new ATOM 0 HB ILE A 39 86.386 -8.487 -17.952 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.085 -6.319 -15.829 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.035 -5.961 -17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.737 -9.199 -15.658 1.00 0.00 H new ATOM 0 HG22 ILE A 39 87.390 -9.727 -16.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.133 -8.318 -14.993 1.00 0.00 H new ATOM 0 HD11 ILE A 39 83.745 -6.325 -16.657 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.163 -7.585 -17.842 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.214 -7.949 -16.101 1.00 0.00 H new ATOM 259 N ALA A 40 87.942 -5.734 -19.040 1.00 0.00 N ATOM 260 CA ALA A 40 88.014 -5.170 -20.386 1.00 0.00 C ATOM 261 C ALA A 40 89.466 -4.969 -20.817 1.00 0.00 C ATOM 262 O ALA A 40 89.807 -5.138 -21.988 1.00 0.00 O ATOM 263 CB ALA A 40 87.277 -3.829 -20.428 1.00 0.00 C ATOM 0 H ALA A 40 87.600 -5.092 -18.325 1.00 0.00 H new ATOM 0 HA ALA A 40 87.541 -5.870 -21.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.334 -3.414 -21.434 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.232 -3.979 -20.157 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.739 -3.138 -19.723 1.00 0.00 H new ATOM 269 N TRP A 41 90.298 -4.601 -19.880 1.00 0.00 N ATOM 270 CA TRP A 41 91.714 -4.358 -20.159 1.00 0.00 C ATOM 271 C TRP A 41 92.328 -5.519 -20.937 1.00 0.00 C ATOM 272 O TRP A 41 93.148 -5.316 -21.834 1.00 0.00 O ATOM 273 CB TRP A 41 92.468 -4.173 -18.835 1.00 0.00 C ATOM 274 CG TRP A 41 93.793 -3.525 -19.081 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.817 -4.076 -19.773 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.259 -2.217 -18.637 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.875 -3.187 -19.791 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.581 -2.028 -19.103 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.665 -1.186 -17.885 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.291 -0.857 -18.833 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.378 -0.007 -17.611 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.687 0.157 -18.084 1.00 0.00 C ATOM 0 H TRP A 41 90.031 -4.458 -18.906 1.00 0.00 H new ATOM 0 HA TRP A 41 91.797 -3.457 -20.767 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.877 -3.561 -18.154 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.612 -5.139 -18.352 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.809 -5.052 -20.236 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.765 -3.366 -20.256 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.656 -1.302 -17.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.299 -0.735 -19.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.914 0.778 -17.032 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.229 1.066 -17.870 1.00 0.00 H new ATOM 293 N THR A 42 91.924 -6.708 -20.602 1.00 0.00 N ATOM 294 CA THR A 42 92.439 -7.895 -21.279 1.00 0.00 C ATOM 295 C THR A 42 92.292 -7.760 -22.795 1.00 0.00 C ATOM 296 O THR A 42 93.180 -8.157 -23.551 1.00 0.00 O ATOM 297 CB THR A 42 91.692 -9.136 -20.794 1.00 0.00 C ATOM 298 OG1 THR A 42 90.314 -9.014 -21.119 1.00 0.00 O ATOM 299 CG2 THR A 42 91.852 -9.267 -19.279 1.00 0.00 C ATOM 0 H THR A 42 91.242 -6.898 -19.868 1.00 0.00 H new ATOM 0 HA THR A 42 93.498 -7.995 -21.041 1.00 0.00 H new ATOM 0 HB THR A 42 92.102 -10.022 -21.279 1.00 0.00 H new ATOM 0 HG1 THR A 42 89.804 -8.808 -20.308 1.00 0.00 H new ATOM 0 HG21 THR A 42 91.319 -10.152 -18.932 1.00 0.00 H new ATOM 0 HG22 THR A 42 92.909 -9.360 -19.031 1.00 0.00 H new ATOM 0 HG23 THR A 42 91.442 -8.382 -18.792 1.00 0.00 H new ATOM 307 N ILE A 43 91.186 -7.212 -23.225 1.00 0.00 N ATOM 308 CA ILE A 43 90.932 -7.034 -24.655 1.00 0.00 C ATOM 309 C ILE A 43 91.979 -6.112 -25.283 1.00 0.00 C ATOM 310 O ILE A 43 92.556 -6.430 -26.323 1.00 0.00 O ATOM 311 CB ILE A 43 89.534 -6.445 -24.863 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.485 -7.465 -24.413 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.324 -6.115 -26.344 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.107 -6.801 -24.368 1.00 0.00 C ATOM 0 H ILE A 43 90.439 -6.877 -22.617 1.00 0.00 H new ATOM 0 HA ILE A 43 90.994 -8.008 -25.140 1.00 0.00 H new ATOM 0 HB ILE A 43 89.435 -5.532 -24.276 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.469 -8.312 -25.099 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.743 -7.857 -23.429 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.328 -5.696 -26.486 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.072 -5.389 -26.665 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.423 -7.024 -26.937 1.00 0.00 H new ATOM 0 HD11 ILE A 43 86.362 -7.530 -24.047 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.127 -5.969 -23.664 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.849 -6.431 -25.360 1.00 0.00 H new ATOM 326 N GLY A 44 92.203 -4.986 -24.664 1.00 0.00 N ATOM 327 CA GLY A 44 93.168 -4.015 -25.172 1.00 0.00 C ATOM 328 C GLY A 44 94.505 -4.670 -25.503 1.00 0.00 C ATOM 329 O GLY A 44 95.240 -4.197 -26.371 1.00 0.00 O ATOM 0 H GLY A 44 91.735 -4.705 -23.802 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.767 -3.536 -26.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.320 -3.231 -24.430 1.00 0.00 H new ATOM 333 N HIS A 45 94.819 -5.730 -24.813 1.00 0.00 N ATOM 334 CA HIS A 45 96.079 -6.438 -25.026 1.00 0.00 C ATOM 335 C HIS A 45 96.333 -6.719 -26.509 1.00 0.00 C ATOM 336 O HIS A 45 97.482 -6.846 -26.928 1.00 0.00 O ATOM 337 CB HIS A 45 96.060 -7.757 -24.254 1.00 0.00 C ATOM 338 CG HIS A 45 97.440 -8.352 -24.247 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.672 -9.684 -24.551 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.671 -7.809 -23.975 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.998 -9.895 -24.456 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.653 -8.785 -24.107 1.00 0.00 N ATOM 0 H HIS A 45 94.225 -6.136 -24.090 1.00 0.00 H new ATOM 0 HA HIS A 45 96.885 -5.799 -24.665 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.720 -7.588 -23.232 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.356 -8.450 -24.714 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.850 -6.780 -23.700 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.474 -10.847 -24.640 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.658 -8.676 -23.967 1.00 0.00 H new ATOM 351 N LEU A 46 95.287 -6.850 -27.280 1.00 0.00 N ATOM 352 CA LEU A 46 95.436 -7.163 -28.696 1.00 0.00 C ATOM 353 C LEU A 46 96.508 -6.291 -29.347 1.00 0.00 C ATOM 354 O LEU A 46 97.200 -6.742 -30.254 1.00 0.00 O ATOM 355 CB LEU A 46 94.089 -6.983 -29.418 1.00 0.00 C ATOM 356 CG LEU A 46 93.752 -5.477 -29.591 1.00 0.00 C ATOM 357 CD1 LEU A 46 94.190 -4.973 -30.984 1.00 0.00 C ATOM 358 CD2 LEU A 46 92.236 -5.262 -29.434 1.00 0.00 C ATOM 0 H LEU A 46 94.323 -6.748 -26.964 1.00 0.00 H new ATOM 0 HA LEU A 46 95.753 -8.202 -28.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 94.127 -7.466 -30.394 1.00 0.00 H new ATOM 0 HB3 LEU A 46 93.299 -7.474 -28.850 1.00 0.00 H new ATOM 0 HG LEU A 46 94.290 -4.917 -28.826 1.00 0.00 H new ATOM 0 HD11 LEU A 46 93.944 -3.916 -31.082 1.00 0.00 H new ATOM 0 HD12 LEU A 46 95.266 -5.107 -31.098 1.00 0.00 H new ATOM 0 HD13 LEU A 46 93.670 -5.540 -31.756 1.00 0.00 H new ATOM 0 HD21 LEU A 46 92.004 -4.204 -29.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 91.706 -5.839 -30.192 1.00 0.00 H new ATOM 0 HD23 LEU A 46 91.923 -5.590 -28.443 1.00 0.00 H new ATOM 370 N ASN A 47 96.654 -5.072 -28.917 1.00 0.00 N ATOM 371 CA ASN A 47 97.661 -4.199 -29.521 1.00 0.00 C ATOM 372 C ASN A 47 98.996 -4.938 -29.670 1.00 0.00 C ATOM 373 O ASN A 47 99.782 -4.633 -30.567 1.00 0.00 O ATOM 374 CB ASN A 47 97.860 -2.948 -28.665 1.00 0.00 C ATOM 375 CG ASN A 47 96.589 -2.105 -28.675 1.00 0.00 C ATOM 376 OD1 ASN A 47 95.526 -2.588 -29.064 1.00 0.00 O ATOM 377 ND2 ASN A 47 96.634 -0.865 -28.269 1.00 0.00 N ATOM 0 H ASN A 47 96.108 -4.650 -28.166 1.00 0.00 H new ATOM 0 HA ASN A 47 97.308 -3.905 -30.509 1.00 0.00 H new ATOM 0 HB2 ASN A 47 98.110 -3.232 -27.643 1.00 0.00 H new ATOM 0 HB3 ASN A 47 98.697 -2.364 -29.048 1.00 0.00 H new ATOM 0 HD21 ASN A 47 95.788 -0.296 -28.274 1.00 0.00 H new ATOM 0 HD22 ASN A 47 97.515 -0.466 -27.947 1.00 0.00 H new ATOM 384 N GLN A 48 99.239 -5.898 -28.807 1.00 0.00 N ATOM 385 CA GLN A 48 100.479 -6.681 -28.872 1.00 0.00 C ATOM 386 C GLN A 48 100.294 -7.942 -29.714 1.00 0.00 C ATOM 387 O GLN A 48 101.146 -8.279 -30.534 1.00 0.00 O ATOM 388 CB GLN A 48 100.959 -7.079 -27.473 1.00 0.00 C ATOM 389 CG GLN A 48 102.371 -7.667 -27.587 1.00 0.00 C ATOM 390 CD GLN A 48 102.963 -7.897 -26.203 1.00 0.00 C ATOM 391 OE1 GLN A 48 103.547 -8.949 -25.945 1.00 0.00 O ATOM 392 NE2 GLN A 48 102.854 -6.968 -25.295 1.00 0.00 N ATOM 0 H GLN A 48 98.607 -6.164 -28.052 1.00 0.00 H new ATOM 0 HA GLN A 48 101.230 -6.045 -29.340 1.00 0.00 H new ATOM 0 HB2 GLN A 48 100.963 -6.211 -26.814 1.00 0.00 H new ATOM 0 HB3 GLN A 48 100.280 -7.810 -27.034 1.00 0.00 H new ATOM 0 HG2 GLN A 48 102.337 -8.608 -28.136 1.00 0.00 H new ATOM 0 HG3 GLN A 48 103.009 -6.990 -28.155 1.00 0.00 H new ATOM 0 HE21 GLN A 48 102.369 -6.097 -25.512 1.00 0.00 H new ATOM 0 HE22 GLN A 48 103.253 -7.112 -24.368 1.00 0.00 H new ATOM 401 N ILE A 49 99.216 -8.635 -29.487 1.00 0.00 N ATOM 402 CA ILE A 49 98.949 -9.882 -30.214 1.00 0.00 C ATOM 403 C ILE A 49 99.278 -9.766 -31.715 1.00 0.00 C ATOM 404 O ILE A 49 99.387 -10.782 -32.402 1.00 0.00 O ATOM 405 CB ILE A 49 97.479 -10.334 -29.995 1.00 0.00 C ATOM 406 CG1 ILE A 49 97.383 -11.880 -30.081 1.00 0.00 C ATOM 407 CG2 ILE A 49 96.541 -9.696 -31.046 1.00 0.00 C ATOM 408 CD1 ILE A 49 97.675 -12.506 -28.712 1.00 0.00 C ATOM 0 H ILE A 49 98.498 -8.375 -28.810 1.00 0.00 H new ATOM 0 HA ILE A 49 99.612 -10.645 -29.807 1.00 0.00 H new ATOM 0 HB ILE A 49 97.165 -10.003 -29.005 1.00 0.00 H new ATOM 0 HG12 ILE A 49 96.388 -12.172 -30.418 1.00 0.00 H new ATOM 0 HG13 ILE A 49 98.092 -12.255 -30.819 1.00 0.00 H new ATOM 0 HG21 ILE A 49 95.518 -10.029 -30.870 1.00 0.00 H new ATOM 0 HG22 ILE A 49 96.588 -8.610 -30.965 1.00 0.00 H new ATOM 0 HG23 ILE A 49 96.854 -9.999 -32.045 1.00 0.00 H new ATOM 0 HD11 ILE A 49 97.604 -13.591 -28.786 1.00 0.00 H new ATOM 0 HD12 ILE A 49 98.679 -12.229 -28.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 96.949 -12.144 -27.984 1.00 0.00 H new ATOM 420 N LYS A 50 99.443 -8.562 -32.215 1.00 0.00 N ATOM 421 CA LYS A 50 99.773 -8.362 -33.633 1.00 0.00 C ATOM 422 C LYS A 50 101.290 -8.235 -33.806 1.00 0.00 C ATOM 423 O LYS A 50 101.952 -9.161 -34.277 1.00 0.00 O ATOM 424 CB LYS A 50 99.067 -7.092 -34.165 1.00 0.00 C ATOM 425 CG LYS A 50 98.814 -6.112 -33.005 1.00 0.00 C ATOM 426 CD LYS A 50 98.648 -4.682 -33.539 1.00 0.00 C ATOM 427 CE LYS A 50 97.366 -4.574 -34.372 1.00 0.00 C ATOM 428 NZ LYS A 50 97.609 -5.133 -35.732 1.00 0.00 N ATOM 0 H LYS A 50 99.357 -7.701 -31.674 1.00 0.00 H new ATOM 0 HA LYS A 50 99.426 -9.224 -34.203 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.682 -6.615 -34.928 1.00 0.00 H new ATOM 0 HB3 LYS A 50 98.123 -7.361 -34.639 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.919 -6.409 -32.458 1.00 0.00 H new ATOM 0 HG3 LYS A 50 99.645 -6.150 -32.301 1.00 0.00 H new ATOM 0 HD2 LYS A 50 98.611 -3.978 -32.708 1.00 0.00 H new ATOM 0 HD3 LYS A 50 99.510 -4.411 -34.148 1.00 0.00 H new ATOM 0 HE2 LYS A 50 96.556 -5.116 -33.884 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.054 -3.532 -34.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.238 -4.477 -36.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.631 -5.262 -35.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 97.128 -6.051 -35.821 1.00 0.00 H new ATOM 442 N ARG A 51 101.820 -7.102 -33.427 1.00 0.00 N ATOM 443 CA ARG A 51 103.255 -6.858 -33.541 1.00 0.00 C ATOM 444 C ARG A 51 104.047 -7.983 -32.884 1.00 0.00 C ATOM 445 O ARG A 51 104.686 -8.784 -33.566 1.00 0.00 O ATOM 446 CB ARG A 51 103.611 -5.529 -32.873 1.00 0.00 C ATOM 447 CG ARG A 51 102.934 -4.382 -33.623 1.00 0.00 C ATOM 448 CD ARG A 51 103.267 -3.057 -32.936 1.00 0.00 C ATOM 449 NE ARG A 51 102.593 -1.952 -33.613 1.00 0.00 N ATOM 450 CZ ARG A 51 101.357 -1.636 -33.332 1.00 0.00 C ATOM 451 NH1 ARG A 51 100.699 -2.309 -32.428 1.00 0.00 N ATOM 452 NH2 ARG A 51 100.780 -0.646 -33.956 1.00 0.00 N ATOM 0 H ARG A 51 101.288 -6.325 -33.035 1.00 0.00 H new ATOM 0 HA ARG A 51 103.513 -6.818 -34.599 1.00 0.00 H new ATOM 0 HB2 ARG A 51 103.290 -5.536 -31.832 1.00 0.00 H new ATOM 0 HB3 ARG A 51 104.692 -5.389 -32.872 1.00 0.00 H new ATOM 0 HG2 ARG A 51 103.272 -4.362 -34.659 1.00 0.00 H new ATOM 0 HG3 ARG A 51 101.855 -4.533 -33.642 1.00 0.00 H new ATOM 0 HD2 ARG A 51 102.960 -3.094 -31.891 1.00 0.00 H new ATOM 0 HD3 ARG A 51 104.345 -2.895 -32.946 1.00 0.00 H new ATOM 0 HE ARG A 51 103.098 -1.416 -34.319 1.00 0.00 H new ATOM 0 HH11 ARG A 51 101.150 -3.083 -31.940 1.00 0.00 H new ATOM 0 HH12 ARG A 51 99.734 -2.061 -32.210 1.00 0.00 H new ATOM 0 HH21 ARG A 51 101.294 -0.120 -34.663 1.00 0.00 H new ATOM 0 HH22 ARG A 51 99.815 -0.398 -33.737 1.00 0.00 H new ATOM 466 N GLY A 52 104.004 -8.033 -31.579 1.00 0.00 N ATOM 467 CA GLY A 52 104.725 -9.064 -30.839 1.00 0.00 C ATOM 468 C GLY A 52 106.218 -9.005 -31.140 1.00 0.00 C ATOM 0 H GLY A 52 103.482 -7.378 -30.997 1.00 0.00 H new ATOM 0 HA2 GLY A 52 104.560 -8.933 -29.770 1.00 0.00 H new ATOM 0 HA3 GLY A 52 104.335 -10.047 -31.103 1.00 0.00 H new TER 472 GLY A 52 ATOM 473 N SER B 23 82.300 14.480 6.890 1.00 0.00 N ATOM 474 CA SER B 23 83.603 14.628 6.183 1.00 0.00 C ATOM 475 C SER B 23 83.388 15.379 4.874 1.00 0.00 C ATOM 476 O SER B 23 82.256 15.559 4.427 1.00 0.00 O ATOM 477 CB SER B 23 84.187 13.245 5.898 1.00 0.00 C ATOM 478 OG SER B 23 83.217 12.455 5.224 1.00 0.00 O ATOM 0 HA SER B 23 84.297 15.189 6.809 1.00 0.00 H new ATOM 0 HB2 SER B 23 85.086 13.336 5.288 1.00 0.00 H new ATOM 0 HB3 SER B 23 84.481 12.763 6.830 1.00 0.00 H new ATOM 0 HG SER B 23 82.319 12.732 5.502 1.00 0.00 H new ATOM 483 N ASP B 24 84.467 15.804 4.277 1.00 0.00 N ATOM 484 CA ASP B 24 84.400 16.533 3.017 1.00 0.00 C ATOM 485 C ASP B 24 84.161 15.561 1.857 1.00 0.00 C ATOM 486 O ASP B 24 84.546 14.395 1.937 1.00 0.00 O ATOM 487 CB ASP B 24 85.716 17.293 2.804 1.00 0.00 C ATOM 488 CG ASP B 24 85.739 18.552 3.669 1.00 0.00 C ATOM 489 OD1 ASP B 24 85.498 18.432 4.858 1.00 0.00 O ATOM 490 OD2 ASP B 24 85.995 19.615 3.127 1.00 0.00 O ATOM 0 H ASP B 24 85.412 15.663 4.635 1.00 0.00 H new ATOM 0 HA ASP B 24 83.572 17.241 3.052 1.00 0.00 H new ATOM 0 HB2 ASP B 24 86.561 16.652 3.058 1.00 0.00 H new ATOM 0 HB3 ASP B 24 85.824 17.562 1.753 1.00 0.00 H new ATOM 495 N PRO B 25 83.539 16.006 0.789 1.00 0.00 N ATOM 496 CA PRO B 25 83.260 15.131 -0.392 1.00 0.00 C ATOM 497 C PRO B 25 84.541 14.782 -1.152 1.00 0.00 C ATOM 498 O PRO B 25 84.542 14.671 -2.378 1.00 0.00 O ATOM 499 CB PRO B 25 82.307 15.981 -1.249 1.00 0.00 C ATOM 500 CG PRO B 25 82.639 17.394 -0.897 1.00 0.00 C ATOM 501 CD PRO B 25 83.033 17.377 0.581 1.00 0.00 C ATOM 0 HA PRO B 25 82.832 14.168 -0.112 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.456 15.792 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.265 15.752 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.455 17.769 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.785 18.050 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.796 18.124 0.801 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.181 17.592 1.226 1.00 0.00 H new ATOM 509 N LEU B 26 85.608 14.616 -0.419 1.00 0.00 N ATOM 510 CA LEU B 26 86.898 14.281 -1.015 1.00 0.00 C ATOM 511 C LEU B 26 86.899 12.851 -1.555 1.00 0.00 C ATOM 512 O LEU B 26 87.351 12.599 -2.672 1.00 0.00 O ATOM 513 CB LEU B 26 88.003 14.441 0.039 1.00 0.00 C ATOM 514 CG LEU B 26 89.390 14.180 -0.574 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.725 15.258 -1.619 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.437 14.208 0.545 1.00 0.00 C ATOM 0 H LEU B 26 85.622 14.705 0.597 1.00 0.00 H new ATOM 0 HA LEU B 26 87.082 14.958 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.969 15.447 0.457 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.829 13.748 0.862 1.00 0.00 H new ATOM 0 HG LEU B 26 89.391 13.207 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.709 15.060 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.977 15.241 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.726 16.238 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.425 14.024 0.123 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.425 15.184 1.030 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.206 13.436 1.279 1.00 0.00 H new ATOM 528 N VAL B 27 86.412 11.934 -0.762 1.00 0.00 N ATOM 529 CA VAL B 27 86.371 10.528 -1.159 1.00 0.00 C ATOM 530 C VAL B 27 85.341 10.285 -2.260 1.00 0.00 C ATOM 531 O VAL B 27 85.565 9.479 -3.163 1.00 0.00 O ATOM 532 CB VAL B 27 86.032 9.659 0.052 1.00 0.00 C ATOM 533 CG1 VAL B 27 86.056 8.186 -0.356 1.00 0.00 C ATOM 534 CG2 VAL B 27 87.062 9.899 1.158 1.00 0.00 C ATOM 0 H VAL B 27 86.035 12.123 0.167 1.00 0.00 H new ATOM 0 HA VAL B 27 87.354 10.263 -1.547 1.00 0.00 H new ATOM 0 HB VAL B 27 85.039 9.919 0.419 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.814 7.565 0.507 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.322 8.015 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL B 27 87.049 7.926 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.820 9.279 2.021 1.00 0.00 H new ATOM 0 HG22 VAL B 27 88.056 9.640 0.792 1.00 0.00 H new ATOM 0 HG23 VAL B 27 87.045 10.949 1.449 1.00 0.00 H new ATOM 544 N VAL B 28 84.234 10.968 -2.177 1.00 0.00 N ATOM 545 CA VAL B 28 83.179 10.810 -3.173 1.00 0.00 C ATOM 546 C VAL B 28 83.610 11.404 -4.510 1.00 0.00 C ATOM 547 O VAL B 28 83.406 10.802 -5.564 1.00 0.00 O ATOM 548 CB VAL B 28 81.891 11.480 -2.690 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.788 11.277 -3.731 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.462 10.852 -1.361 1.00 0.00 C ATOM 0 H VAL B 28 84.027 11.640 -1.438 1.00 0.00 H new ATOM 0 HA VAL B 28 82.993 9.745 -3.311 1.00 0.00 H new ATOM 0 HB VAL B 28 82.064 12.547 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.871 11.754 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.095 11.721 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.612 10.211 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.544 11.327 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.288 9.785 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.248 10.996 -0.620 1.00 0.00 H new ATOM 560 N ALA B 29 84.188 12.572 -4.460 1.00 0.00 N ATOM 561 CA ALA B 29 84.637 13.242 -5.676 1.00 0.00 C ATOM 562 C ALA B 29 85.456 12.285 -6.538 1.00 0.00 C ATOM 563 O ALA B 29 85.423 12.359 -7.767 1.00 0.00 O ATOM 564 CB ALA B 29 85.486 14.464 -5.320 1.00 0.00 C ATOM 0 H ALA B 29 84.365 13.089 -3.599 1.00 0.00 H new ATOM 0 HA ALA B 29 83.760 13.564 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.816 14.957 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.892 15.160 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.356 14.148 -4.744 1.00 0.00 H new ATOM 570 N ALA B 30 86.173 11.404 -5.899 1.00 0.00 N ATOM 571 CA ALA B 30 86.996 10.435 -6.614 1.00 0.00 C ATOM 572 C ALA B 30 86.125 9.483 -7.431 1.00 0.00 C ATOM 573 O ALA B 30 86.521 9.034 -8.507 1.00 0.00 O ATOM 574 CB ALA B 30 87.836 9.630 -5.620 1.00 0.00 C ATOM 0 H ALA B 30 86.213 11.327 -4.883 1.00 0.00 H new ATOM 0 HA ALA B 30 87.653 10.979 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.448 8.908 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.482 10.305 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.177 9.102 -4.931 1.00 0.00 H new ATOM 580 N SER B 31 84.963 9.182 -6.919 1.00 0.00 N ATOM 581 CA SER B 31 84.046 8.276 -7.606 1.00 0.00 C ATOM 582 C SER B 31 83.717 8.795 -9.002 1.00 0.00 C ATOM 583 O SER B 31 83.650 8.026 -9.960 1.00 0.00 O ATOM 584 CB SER B 31 82.757 8.126 -6.800 1.00 0.00 C ATOM 585 OG SER B 31 81.894 7.208 -7.458 1.00 0.00 O ATOM 0 H SER B 31 84.617 9.544 -6.030 1.00 0.00 H new ATOM 0 HA SER B 31 84.532 7.305 -7.699 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.983 7.773 -5.794 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.266 9.093 -6.695 1.00 0.00 H new ATOM 0 HG SER B 31 81.067 7.109 -6.942 1.00 0.00 H new ATOM 591 N ILE B 32 83.515 10.080 -9.107 1.00 0.00 N ATOM 592 CA ILE B 32 83.194 10.689 -10.393 1.00 0.00 C ATOM 593 C ILE B 32 84.282 10.370 -11.416 1.00 0.00 C ATOM 594 O ILE B 32 84.002 10.165 -12.596 1.00 0.00 O ATOM 595 CB ILE B 32 83.069 12.207 -10.234 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.185 12.532 -9.022 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.450 12.806 -11.499 1.00 0.00 C ATOM 598 CD1 ILE B 32 80.857 11.772 -9.115 1.00 0.00 C ATOM 0 H ILE B 32 83.564 10.734 -8.326 1.00 0.00 H new ATOM 0 HA ILE B 32 82.246 10.282 -10.745 1.00 0.00 H new ATOM 0 HB ILE B 32 84.059 12.635 -10.079 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.703 12.262 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE B 32 81.996 13.605 -8.978 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.362 13.886 -11.384 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.086 12.583 -12.356 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.461 12.376 -11.659 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.239 12.011 -8.249 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.334 12.064 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.052 10.700 -9.136 1.00 0.00 H new ATOM 610 N ILE B 33 85.501 10.324 -10.957 1.00 0.00 N ATOM 611 CA ILE B 33 86.629 10.019 -11.828 1.00 0.00 C ATOM 612 C ILE B 33 86.609 8.544 -12.231 1.00 0.00 C ATOM 613 O ILE B 33 87.018 8.188 -13.336 1.00 0.00 O ATOM 614 CB ILE B 33 87.959 10.357 -11.127 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.933 11.822 -10.641 1.00 0.00 C ATOM 616 CG2 ILE B 33 89.128 10.162 -12.112 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.350 12.297 -10.289 1.00 0.00 C ATOM 0 H ILE B 33 85.752 10.493 -9.983 1.00 0.00 H new ATOM 0 HA ILE B 33 86.542 10.630 -12.727 1.00 0.00 H new ATOM 0 HB ILE B 33 88.092 9.695 -10.271 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.511 12.461 -11.417 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.286 11.910 -9.768 1.00 0.00 H new ATOM 0 HG21 ILE B 33 90.067 10.402 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE B 33 89.150 9.126 -12.450 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.994 10.820 -12.970 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.313 13.332 -9.948 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.758 11.669 -9.497 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.986 12.228 -11.171 1.00 0.00 H new ATOM 629 N GLY B 34 86.155 7.706 -11.340 1.00 0.00 N ATOM 630 CA GLY B 34 86.107 6.271 -11.605 1.00 0.00 C ATOM 631 C GLY B 34 85.082 5.925 -12.681 1.00 0.00 C ATOM 632 O GLY B 34 85.361 5.133 -13.581 1.00 0.00 O ATOM 0 H GLY B 34 85.810 7.980 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY B 34 87.093 5.927 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.861 5.740 -10.685 1.00 0.00 H new ATOM 636 N ILE B 35 83.917 6.500 -12.583 1.00 0.00 N ATOM 637 CA ILE B 35 82.867 6.224 -13.557 1.00 0.00 C ATOM 638 C ILE B 35 83.232 6.800 -14.924 1.00 0.00 C ATOM 639 O ILE B 35 83.059 6.139 -15.946 1.00 0.00 O ATOM 640 CB ILE B 35 81.528 6.798 -13.070 1.00 0.00 C ATOM 641 CG1 ILE B 35 80.446 6.629 -14.149 1.00 0.00 C ATOM 642 CG2 ILE B 35 81.691 8.283 -12.749 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.348 5.160 -14.579 1.00 0.00 C ATOM 0 H ILE B 35 83.659 7.160 -11.849 1.00 0.00 H new ATOM 0 HA ILE B 35 82.767 5.144 -13.660 1.00 0.00 H new ATOM 0 HB ILE B 35 81.224 6.257 -12.174 1.00 0.00 H new ATOM 0 HG12 ILE B 35 79.484 6.968 -13.765 1.00 0.00 H new ATOM 0 HG13 ILE B 35 80.682 7.252 -15.011 1.00 0.00 H new ATOM 0 HG21 ILE B 35 80.739 8.687 -12.404 1.00 0.00 H new ATOM 0 HG22 ILE B 35 82.442 8.406 -11.969 1.00 0.00 H new ATOM 0 HG23 ILE B 35 82.008 8.816 -13.645 1.00 0.00 H new ATOM 0 HD11 ILE B 35 79.578 5.055 -15.343 1.00 0.00 H new ATOM 0 HD12 ILE B 35 81.307 4.834 -14.983 1.00 0.00 H new ATOM 0 HD13 ILE B 35 80.090 4.545 -13.717 1.00 0.00 H new ATOM 655 N LEU B 36 83.730 8.009 -14.938 1.00 0.00 N ATOM 656 CA LEU B 36 84.110 8.648 -16.197 1.00 0.00 C ATOM 657 C LEU B 36 84.992 7.709 -17.016 1.00 0.00 C ATOM 658 O LEU B 36 84.890 7.647 -18.241 1.00 0.00 O ATOM 659 CB LEU B 36 84.862 9.955 -15.911 1.00 0.00 C ATOM 660 CG LEU B 36 85.207 10.679 -17.223 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.922 11.109 -17.953 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.052 11.916 -16.897 1.00 0.00 C ATOM 0 H LEU B 36 83.886 8.577 -14.105 1.00 0.00 H new ATOM 0 HA LEU B 36 83.208 8.872 -16.767 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.251 10.602 -15.282 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.776 9.741 -15.356 1.00 0.00 H new ATOM 0 HG LEU B 36 85.764 10.004 -17.872 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.184 11.620 -18.880 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.321 10.229 -18.181 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.350 11.783 -17.316 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.303 12.438 -17.820 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.486 12.582 -16.246 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.968 11.608 -16.393 1.00 0.00 H new ATOM 674 N HIS B 37 85.846 7.002 -16.333 1.00 0.00 N ATOM 675 CA HIS B 37 86.765 6.066 -16.975 1.00 0.00 C ATOM 676 C HIS B 37 86.019 5.140 -17.944 1.00 0.00 C ATOM 677 O HIS B 37 86.501 4.855 -19.040 1.00 0.00 O ATOM 678 CB HIS B 37 87.450 5.235 -15.876 1.00 0.00 C ATOM 679 CG HIS B 37 88.814 4.766 -16.312 1.00 0.00 C ATOM 680 ND1 HIS B 37 89.100 3.427 -16.525 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.989 5.441 -16.530 1.00 0.00 C ATOM 682 CE1 HIS B 37 90.403 3.338 -16.848 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.992 4.537 -16.865 1.00 0.00 N ATOM 0 H HIS B 37 85.936 7.047 -15.318 1.00 0.00 H new ATOM 0 HA HIS B 37 87.505 6.621 -17.551 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.542 5.833 -14.969 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.829 4.374 -15.628 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.116 6.511 -16.453 1.00 0.00 H new ATOM 0 HE1 HIS B 37 90.911 2.410 -17.067 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.968 4.745 -17.078 1.00 0.00 H new ATOM 692 N PHE B 38 84.872 4.677 -17.529 1.00 0.00 N ATOM 693 CA PHE B 38 84.069 3.773 -18.350 1.00 0.00 C ATOM 694 C PHE B 38 83.527 4.472 -19.597 1.00 0.00 C ATOM 695 O PHE B 38 83.467 3.875 -20.671 1.00 0.00 O ATOM 696 CB PHE B 38 82.901 3.230 -17.523 1.00 0.00 C ATOM 697 CG PHE B 38 82.231 2.096 -18.266 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.830 0.830 -18.297 1.00 0.00 C ATOM 699 CD2 PHE B 38 81.012 2.308 -18.922 1.00 0.00 C ATOM 700 CE1 PHE B 38 82.210 -0.221 -18.982 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.392 1.256 -19.606 1.00 0.00 C ATOM 702 CZ PHE B 38 80.991 -0.008 -19.637 1.00 0.00 C ATOM 0 H PHE B 38 84.459 4.904 -16.624 1.00 0.00 H new ATOM 0 HA PHE B 38 84.713 2.956 -18.675 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.260 2.881 -16.555 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.181 4.025 -17.328 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.770 0.665 -17.792 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.550 3.284 -18.900 1.00 0.00 H new ATOM 0 HE1 PHE B 38 82.672 -1.197 -19.005 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.451 1.420 -20.110 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.513 -0.819 -20.166 1.00 0.00 H new ATOM 712 N ILE B 39 83.131 5.707 -19.452 1.00 0.00 N ATOM 713 CA ILE B 39 82.584 6.455 -20.581 1.00 0.00 C ATOM 714 C ILE B 39 83.631 6.603 -21.689 1.00 0.00 C ATOM 715 O ILE B 39 83.319 6.434 -22.866 1.00 0.00 O ATOM 716 CB ILE B 39 82.093 7.838 -20.105 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.728 7.691 -19.420 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.947 8.803 -21.291 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.812 6.631 -18.322 1.00 0.00 C ATOM 0 H ILE B 39 83.171 6.225 -18.574 1.00 0.00 H new ATOM 0 HA ILE B 39 81.737 5.905 -20.991 1.00 0.00 H new ATOM 0 HB ILE B 39 82.827 8.239 -19.406 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.420 8.646 -18.994 1.00 0.00 H new ATOM 0 HG13 ILE B 39 79.971 7.410 -20.153 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.600 9.772 -20.931 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.912 8.923 -21.783 1.00 0.00 H new ATOM 0 HG23 ILE B 39 81.225 8.400 -22.001 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.840 6.530 -17.838 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.100 5.675 -18.760 1.00 0.00 H new ATOM 0 HD13 ILE B 39 81.556 6.930 -17.583 1.00 0.00 H new ATOM 731 N ALA B 40 84.842 6.921 -21.324 1.00 0.00 N ATOM 732 CA ALA B 40 85.901 7.092 -22.313 1.00 0.00 C ATOM 733 C ALA B 40 86.292 5.748 -22.927 1.00 0.00 C ATOM 734 O ALA B 40 86.556 5.648 -24.125 1.00 0.00 O ATOM 735 CB ALA B 40 87.123 7.729 -21.647 1.00 0.00 C ATOM 0 H ALA B 40 85.132 7.069 -20.357 1.00 0.00 H new ATOM 0 HA ALA B 40 85.534 7.741 -23.108 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.914 7.857 -22.385 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.849 8.701 -21.237 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.477 7.083 -20.844 1.00 0.00 H new ATOM 741 N TRP B 41 86.335 4.744 -22.099 1.00 0.00 N ATOM 742 CA TRP B 41 86.705 3.395 -22.521 1.00 0.00 C ATOM 743 C TRP B 41 85.925 2.953 -23.761 1.00 0.00 C ATOM 744 O TRP B 41 86.419 2.164 -24.566 1.00 0.00 O ATOM 745 CB TRP B 41 86.419 2.432 -21.366 1.00 0.00 C ATOM 746 CG TRP B 41 87.099 1.121 -21.593 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.762 0.218 -22.542 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.214 0.542 -20.856 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.609 -0.869 -22.446 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.520 -0.717 -21.420 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.984 0.987 -19.767 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.553 -1.507 -20.923 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.023 0.190 -19.260 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.307 -1.054 -19.838 1.00 0.00 C ATOM 0 H TRP B 41 86.116 4.823 -21.106 1.00 0.00 H new ATOM 0 HA TRP B 41 87.764 3.389 -22.781 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.763 2.868 -20.428 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.344 2.279 -21.271 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.961 0.329 -23.258 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.567 -1.684 -23.058 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.775 1.947 -19.318 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.770 -2.464 -21.374 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.606 0.538 -18.420 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.108 -1.662 -19.445 1.00 0.00 H new ATOM 765 N THR B 42 84.735 3.457 -23.909 1.00 0.00 N ATOM 766 CA THR B 42 83.906 3.092 -25.056 1.00 0.00 C ATOM 767 C THR B 42 84.565 3.499 -26.375 1.00 0.00 C ATOM 768 O THR B 42 84.440 2.794 -27.377 1.00 0.00 O ATOM 769 CB THR B 42 82.530 3.748 -24.953 1.00 0.00 C ATOM 770 OG1 THR B 42 82.684 5.134 -24.700 1.00 0.00 O ATOM 771 CG2 THR B 42 81.737 3.099 -23.817 1.00 0.00 C ATOM 0 H THR B 42 84.305 4.119 -23.263 1.00 0.00 H new ATOM 0 HA THR B 42 83.794 2.008 -25.044 1.00 0.00 H new ATOM 0 HB THR B 42 81.991 3.611 -25.890 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.881 5.273 -23.750 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.756 3.568 -23.744 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.617 2.035 -24.019 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.273 3.232 -22.877 1.00 0.00 H new ATOM 779 N ILE B 43 85.240 4.618 -26.380 1.00 0.00 N ATOM 780 CA ILE B 43 85.893 5.095 -27.596 1.00 0.00 C ATOM 781 C ILE B 43 86.989 4.128 -28.048 1.00 0.00 C ATOM 782 O ILE B 43 87.035 3.729 -29.210 1.00 0.00 O ATOM 783 CB ILE B 43 86.516 6.472 -27.348 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.479 7.414 -26.718 1.00 0.00 C ATOM 785 CG2 ILE B 43 87.004 7.059 -28.674 1.00 0.00 C ATOM 786 CD1 ILE B 43 84.195 7.436 -27.556 1.00 0.00 C ATOM 0 H ILE B 43 85.359 5.222 -25.566 1.00 0.00 H new ATOM 0 HA ILE B 43 85.137 5.162 -28.378 1.00 0.00 H new ATOM 0 HB ILE B 43 87.359 6.364 -26.665 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.252 7.088 -25.703 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.890 8.421 -26.645 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.447 8.039 -28.497 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.751 6.397 -29.112 1.00 0.00 H new ATOM 0 HG23 ILE B 43 86.162 7.160 -29.359 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.471 8.108 -27.095 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.424 7.784 -28.563 1.00 0.00 H new ATOM 0 HD13 ILE B 43 83.776 6.431 -27.606 1.00 0.00 H new ATOM 798 N GLY B 44 87.858 3.775 -27.140 1.00 0.00 N ATOM 799 CA GLY B 44 88.961 2.868 -27.457 1.00 0.00 C ATOM 800 C GLY B 44 88.461 1.592 -28.126 1.00 0.00 C ATOM 801 O GLY B 44 89.175 0.975 -28.917 1.00 0.00 O ATOM 0 H GLY B 44 87.836 4.094 -26.171 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.670 3.371 -28.115 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.499 2.614 -26.543 1.00 0.00 H new ATOM 805 N HIS B 45 87.261 1.206 -27.801 1.00 0.00 N ATOM 806 CA HIS B 45 86.670 -0.004 -28.362 1.00 0.00 C ATOM 807 C HIS B 45 86.540 0.094 -29.884 1.00 0.00 C ATOM 808 O HIS B 45 86.562 -0.919 -30.581 1.00 0.00 O ATOM 809 CB HIS B 45 85.290 -0.233 -27.741 1.00 0.00 C ATOM 810 CG HIS B 45 84.839 -1.645 -28.003 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.885 -1.950 -28.960 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.202 -2.845 -27.441 1.00 0.00 C ATOM 813 CE1 HIS B 45 83.705 -3.283 -28.945 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.482 -3.877 -28.037 1.00 0.00 N ATOM 0 H HIS B 45 86.659 1.706 -27.147 1.00 0.00 H new ATOM 0 HA HIS B 45 87.326 -0.843 -28.132 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.329 -0.048 -26.668 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.571 0.471 -28.160 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.934 -2.969 -26.657 1.00 0.00 H new ATOM 0 HE1 HIS B 45 83.016 -3.808 -29.589 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.537 -4.873 -27.825 1.00 0.00 H new ATOM 823 N LEU B 46 86.386 1.291 -30.383 1.00 0.00 N ATOM 824 CA LEU B 46 86.228 1.493 -31.821 1.00 0.00 C ATOM 825 C LEU B 46 87.310 0.748 -32.613 1.00 0.00 C ATOM 826 O LEU B 46 87.062 0.283 -33.726 1.00 0.00 O ATOM 827 CB LEU B 46 86.246 3.011 -32.142 1.00 0.00 C ATOM 828 CG LEU B 46 87.690 3.526 -32.377 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.126 3.302 -33.851 1.00 0.00 C ATOM 830 CD2 LEU B 46 87.764 5.025 -32.036 1.00 0.00 C ATOM 0 H LEU B 46 86.365 2.146 -29.828 1.00 0.00 H new ATOM 0 HA LEU B 46 85.266 1.080 -32.126 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.641 3.204 -33.028 1.00 0.00 H new ATOM 0 HB3 LEU B 46 85.791 3.563 -31.320 1.00 0.00 H new ATOM 0 HG LEU B 46 88.366 2.967 -31.730 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.142 3.671 -33.990 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.092 2.237 -34.083 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.450 3.840 -34.516 1.00 0.00 H new ATOM 0 HD21 LEU B 46 88.779 5.386 -32.201 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.074 5.578 -32.673 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.492 5.174 -30.991 1.00 0.00 H new ATOM 842 N ASN B 47 88.491 0.672 -32.065 1.00 0.00 N ATOM 843 CA ASN B 47 89.607 0.022 -32.749 1.00 0.00 C ATOM 844 C ASN B 47 89.383 -1.477 -32.968 1.00 0.00 C ATOM 845 O ASN B 47 89.573 -1.979 -34.075 1.00 0.00 O ATOM 846 CB ASN B 47 90.885 0.216 -31.930 1.00 0.00 C ATOM 847 CG ASN B 47 91.273 1.691 -31.908 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.352 2.329 -32.958 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.519 2.275 -30.767 1.00 0.00 N ATOM 0 H ASN B 47 88.720 1.049 -31.145 1.00 0.00 H new ATOM 0 HA ASN B 47 89.692 0.487 -33.731 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.732 -0.143 -30.912 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.694 -0.375 -32.359 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.777 3.262 -30.744 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.453 1.745 -29.898 1.00 0.00 H new ATOM 856 N GLN B 48 89.020 -2.183 -31.932 1.00 0.00 N ATOM 857 CA GLN B 48 88.821 -3.605 -32.027 1.00 0.00 C ATOM 858 C GLN B 48 87.587 -3.960 -32.852 1.00 0.00 C ATOM 859 O GLN B 48 87.653 -4.794 -33.753 1.00 0.00 O ATOM 860 CB GLN B 48 88.717 -4.177 -30.612 1.00 0.00 C ATOM 861 CG GLN B 48 87.833 -3.297 -29.726 1.00 0.00 C ATOM 862 CD GLN B 48 87.700 -3.923 -28.343 1.00 0.00 C ATOM 863 OE1 GLN B 48 86.960 -4.891 -28.170 1.00 0.00 O ATOM 864 NE2 GLN B 48 88.370 -3.424 -27.340 1.00 0.00 N ATOM 0 H GLN B 48 88.855 -1.793 -31.004 1.00 0.00 H new ATOM 0 HA GLN B 48 89.672 -4.045 -32.546 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.306 -5.186 -30.653 1.00 0.00 H new ATOM 0 HB3 GLN B 48 89.712 -4.256 -30.174 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.264 -2.299 -29.643 1.00 0.00 H new ATOM 0 HG3 GLN B 48 86.848 -3.182 -30.179 1.00 0.00 H new ATOM 0 HE21 GLN B 48 88.983 -2.622 -27.485 1.00 0.00 H new ATOM 0 HE22 GLN B 48 88.281 -3.836 -26.411 1.00 0.00 H new ATOM 873 N ILE B 49 86.486 -3.350 -32.540 1.00 0.00 N ATOM 874 CA ILE B 49 85.246 -3.634 -33.262 1.00 0.00 C ATOM 875 C ILE B 49 85.408 -3.353 -34.760 1.00 0.00 C ATOM 876 O ILE B 49 85.411 -4.284 -35.566 1.00 0.00 O ATOM 877 CB ILE B 49 84.084 -2.819 -32.670 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.794 -3.147 -33.433 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.375 -1.310 -32.756 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.604 -2.484 -32.734 1.00 0.00 C ATOM 0 H ILE B 49 86.402 -2.654 -31.799 1.00 0.00 H new ATOM 0 HA ILE B 49 85.015 -4.693 -33.147 1.00 0.00 H new ATOM 0 HB ILE B 49 83.968 -3.084 -31.619 1.00 0.00 H new ATOM 0 HG12 ILE B 49 82.868 -2.794 -34.462 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.649 -4.226 -33.476 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.539 -0.754 -32.331 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.283 -1.082 -32.198 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.509 -1.024 -33.799 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.688 -2.717 -33.276 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.527 -2.858 -31.713 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.749 -1.404 -32.714 1.00 0.00 H new ATOM 892 N LYS B 50 85.544 -2.099 -35.129 1.00 0.00 N ATOM 893 CA LYS B 50 85.710 -1.720 -36.537 1.00 0.00 C ATOM 894 C LYS B 50 87.089 -1.107 -36.765 1.00 0.00 C ATOM 895 O LYS B 50 87.702 -0.578 -35.838 1.00 0.00 O ATOM 896 CB LYS B 50 84.624 -0.712 -36.939 1.00 0.00 C ATOM 897 CG LYS B 50 84.884 0.635 -36.262 1.00 0.00 C ATOM 898 CD LYS B 50 83.642 1.523 -36.397 1.00 0.00 C ATOM 899 CE LYS B 50 83.314 1.735 -37.879 1.00 0.00 C ATOM 900 NZ LYS B 50 82.412 2.913 -38.025 1.00 0.00 N ATOM 0 H LYS B 50 85.544 -1.313 -34.479 1.00 0.00 H new ATOM 0 HA LYS B 50 85.617 -2.616 -37.151 1.00 0.00 H new ATOM 0 HB2 LYS B 50 84.614 -0.588 -38.022 1.00 0.00 H new ATOM 0 HB3 LYS B 50 83.642 -1.089 -36.652 1.00 0.00 H new ATOM 0 HG2 LYS B 50 85.124 0.485 -35.209 1.00 0.00 H new ATOM 0 HG3 LYS B 50 85.745 1.123 -36.719 1.00 0.00 H new ATOM 0 HD2 LYS B 50 82.795 1.059 -35.890 1.00 0.00 H new ATOM 0 HD3 LYS B 50 83.816 2.484 -35.913 1.00 0.00 H new ATOM 0 HE2 LYS B 50 84.231 1.893 -38.446 1.00 0.00 H new ATOM 0 HE3 LYS B 50 82.836 0.845 -38.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 82.189 3.057 -39.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 81.532 2.744 -37.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 82.884 3.760 -37.650 1.00 0.00 H new ATOM 914 N ARG B 51 87.561 -1.184 -37.982 1.00 0.00 N ATOM 915 CA ARG B 51 88.872 -0.635 -38.332 1.00 0.00 C ATOM 916 C ARG B 51 88.867 -0.124 -39.770 1.00 0.00 C ATOM 917 O ARG B 51 89.079 1.062 -40.018 1.00 0.00 O ATOM 918 CB ARG B 51 89.951 -1.713 -38.174 1.00 0.00 C ATOM 919 CG ARG B 51 91.329 -1.109 -38.463 1.00 0.00 C ATOM 920 CD ARG B 51 92.410 -2.171 -38.256 1.00 0.00 C ATOM 921 NE ARG B 51 92.529 -2.510 -36.842 1.00 0.00 N ATOM 922 CZ ARG B 51 93.211 -1.757 -36.021 1.00 0.00 C ATOM 923 NH1 ARG B 51 93.788 -0.671 -36.458 1.00 0.00 N ATOM 924 NH2 ARG B 51 93.318 -2.090 -34.764 1.00 0.00 N ATOM 0 H ARG B 51 87.065 -1.621 -38.759 1.00 0.00 H new ATOM 0 HA ARG B 51 89.090 0.196 -37.661 1.00 0.00 H new ATOM 0 HB2 ARG B 51 89.926 -2.121 -37.163 1.00 0.00 H new ATOM 0 HB3 ARG B 51 89.755 -2.540 -38.856 1.00 0.00 H new ATOM 0 HG2 ARG B 51 91.365 -0.734 -39.486 1.00 0.00 H new ATOM 0 HG3 ARG B 51 91.510 -0.259 -37.805 1.00 0.00 H new ATOM 0 HD2 ARG B 51 92.165 -3.064 -38.831 1.00 0.00 H new ATOM 0 HD3 ARG B 51 93.366 -1.803 -38.630 1.00 0.00 H new ATOM 0 HE ARG B 51 92.071 -3.350 -36.488 1.00 0.00 H new ATOM 0 HH11 ARG B 51 93.706 -0.410 -37.441 1.00 0.00 H new ATOM 0 HH12 ARG B 51 94.321 -0.083 -35.817 1.00 0.00 H new ATOM 0 HH21 ARG B 51 92.869 -2.939 -34.421 1.00 0.00 H new ATOM 0 HH22 ARG B 51 93.851 -1.501 -34.124 1.00 0.00 H new ATOM 938 N GLY B 52 88.629 -1.012 -40.697 1.00 0.00 N ATOM 939 CA GLY B 52 88.600 -0.639 -42.108 1.00 0.00 C ATOM 940 C GLY B 52 87.725 0.590 -42.328 1.00 0.00 C ATOM 0 H GLY B 52 88.451 -2.000 -40.514 1.00 0.00 H new ATOM 0 HA2 GLY B 52 89.613 -0.436 -42.456 1.00 0.00 H new ATOM 0 HA3 GLY B 52 88.220 -1.471 -42.701 1.00 0.00 H new TER 944 GLY B 52 ATOM 945 N SER C 23 92.460 9.606 11.419 1.00 0.00 N ATOM 946 CA SER C 23 93.631 9.595 10.497 1.00 0.00 C ATOM 947 C SER C 23 93.493 8.434 9.519 1.00 0.00 C ATOM 948 O SER C 23 93.492 7.270 9.918 1.00 0.00 O ATOM 949 CB SER C 23 94.915 9.443 11.312 1.00 0.00 C ATOM 950 OG SER C 23 94.902 8.188 11.982 1.00 0.00 O ATOM 0 HA SER C 23 93.671 10.530 9.938 1.00 0.00 H new ATOM 0 HB2 SER C 23 95.784 9.510 10.658 1.00 0.00 H new ATOM 0 HB3 SER C 23 94.998 10.254 12.036 1.00 0.00 H new ATOM 0 HG SER C 23 94.435 7.527 11.429 1.00 0.00 H new ATOM 955 N ASP C 24 93.387 8.757 8.257 1.00 0.00 N ATOM 956 CA ASP C 24 93.255 7.737 7.220 1.00 0.00 C ATOM 957 C ASP C 24 93.584 8.319 5.846 1.00 0.00 C ATOM 958 O ASP C 24 92.761 8.271 4.931 1.00 0.00 O ATOM 959 CB ASP C 24 91.826 7.185 7.208 1.00 0.00 C ATOM 960 CG ASP C 24 91.597 6.288 8.420 1.00 0.00 C ATOM 961 OD1 ASP C 24 92.240 5.255 8.498 1.00 0.00 O ATOM 962 OD2 ASP C 24 90.779 6.647 9.251 1.00 0.00 O ATOM 0 H ASP C 24 93.388 9.716 7.910 1.00 0.00 H new ATOM 0 HA ASP C 24 93.957 6.933 7.440 1.00 0.00 H new ATOM 0 HB2 ASP C 24 91.111 8.007 7.215 1.00 0.00 H new ATOM 0 HB3 ASP C 24 91.654 6.621 6.291 1.00 0.00 H new ATOM 967 N PRO C 25 94.762 8.862 5.686 1.00 0.00 N ATOM 968 CA PRO C 25 95.204 9.466 4.393 1.00 0.00 C ATOM 969 C PRO C 25 95.584 8.403 3.361 1.00 0.00 C ATOM 970 O PRO C 25 95.990 8.724 2.245 1.00 0.00 O ATOM 971 CB PRO C 25 96.422 10.303 4.801 1.00 0.00 C ATOM 972 CG PRO C 25 97.000 9.575 5.972 1.00 0.00 C ATOM 973 CD PRO C 25 95.808 8.967 6.722 1.00 0.00 C ATOM 0 HA PRO C 25 94.418 10.048 3.912 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.142 10.380 3.986 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.134 11.320 5.068 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.693 8.799 5.646 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.561 10.253 6.615 1.00 0.00 H new ATOM 0 HD2 PRO C 25 96.054 7.992 7.143 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.490 9.601 7.550 1.00 0.00 H new ATOM 981 N LEU C 26 95.457 7.160 3.738 1.00 0.00 N ATOM 982 CA LEU C 26 95.796 6.060 2.842 1.00 0.00 C ATOM 983 C LEU C 26 94.839 6.008 1.653 1.00 0.00 C ATOM 984 O LEU C 26 95.263 5.836 0.510 1.00 0.00 O ATOM 985 CB LEU C 26 95.746 4.734 3.613 1.00 0.00 C ATOM 986 CG LEU C 26 95.992 3.545 2.669 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.304 3.741 1.897 1.00 0.00 C ATOM 988 CD2 LEU C 26 96.076 2.261 3.502 1.00 0.00 C ATOM 0 H LEU C 26 95.122 6.871 4.657 1.00 0.00 H new ATOM 0 HA LEU C 26 96.804 6.223 2.460 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.497 4.739 4.403 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.775 4.626 4.097 1.00 0.00 H new ATOM 0 HG LEU C 26 95.172 3.476 1.954 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.466 2.892 1.233 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.247 4.657 1.308 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.133 3.814 2.601 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.250 1.410 2.843 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.897 2.342 4.214 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.140 2.116 4.042 1.00 0.00 H new ATOM 1000 N VAL C 27 93.570 6.143 1.926 1.00 0.00 N ATOM 1001 CA VAL C 27 92.560 6.099 0.872 1.00 0.00 C ATOM 1002 C VAL C 27 92.629 7.341 -0.015 1.00 0.00 C ATOM 1003 O VAL C 27 92.373 7.269 -1.218 1.00 0.00 O ATOM 1004 CB VAL C 27 91.167 5.990 1.493 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.851 7.270 2.268 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.129 5.797 0.386 1.00 0.00 C ATOM 0 H VAL C 27 93.198 6.285 2.865 1.00 0.00 H new ATOM 0 HA VAL C 27 92.757 5.225 0.252 1.00 0.00 H new ATOM 0 HB VAL C 27 91.139 5.138 2.172 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.858 7.192 2.710 1.00 0.00 H new ATOM 0 HG12 VAL C 27 91.590 7.409 3.057 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.880 8.123 1.590 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.136 5.719 0.828 1.00 0.00 H new ATOM 0 HG22 VAL C 27 90.158 6.649 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.352 4.885 -0.167 1.00 0.00 H new ATOM 1016 N VAL C 28 92.961 8.458 0.573 1.00 0.00 N ATOM 1017 CA VAL C 28 93.049 9.707 -0.177 1.00 0.00 C ATOM 1018 C VAL C 28 94.211 9.667 -1.168 1.00 0.00 C ATOM 1019 O VAL C 28 94.059 10.032 -2.333 1.00 0.00 O ATOM 1020 CB VAL C 28 93.233 10.881 0.787 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.424 12.174 -0.008 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.993 11.007 1.674 1.00 0.00 C ATOM 0 H VAL C 28 93.177 8.542 1.566 1.00 0.00 H new ATOM 0 HA VAL C 28 92.122 9.837 -0.736 1.00 0.00 H new ATOM 0 HB VAL C 28 94.112 10.706 1.408 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.555 13.009 0.681 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.306 12.085 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.547 12.351 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.121 11.843 2.362 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.116 11.181 1.051 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.857 10.087 2.242 1.00 0.00 H new ATOM 1032 N ALA C 29 95.351 9.241 -0.701 1.00 0.00 N ATOM 1033 CA ALA C 29 96.534 9.172 -1.553 1.00 0.00 C ATOM 1034 C ALA C 29 96.216 8.459 -2.865 1.00 0.00 C ATOM 1035 O ALA C 29 96.725 8.830 -3.923 1.00 0.00 O ATOM 1036 CB ALA C 29 97.658 8.428 -0.827 1.00 0.00 C ATOM 0 H ALA C 29 95.499 8.934 0.260 1.00 0.00 H new ATOM 0 HA ALA C 29 96.854 10.190 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.537 8.381 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.909 8.956 0.093 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.329 7.417 -0.587 1.00 0.00 H new ATOM 1042 N ALA C 30 95.393 7.451 -2.788 1.00 0.00 N ATOM 1043 CA ALA C 30 95.015 6.684 -3.972 1.00 0.00 C ATOM 1044 C ALA C 30 94.238 7.543 -4.971 1.00 0.00 C ATOM 1045 O ALA C 30 94.288 7.301 -6.177 1.00 0.00 O ATOM 1046 CB ALA C 30 94.162 5.483 -3.560 1.00 0.00 C ATOM 0 H ALA C 30 94.963 7.130 -1.921 1.00 0.00 H new ATOM 0 HA ALA C 30 95.930 6.342 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.882 4.914 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.733 4.846 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.262 5.832 -3.054 1.00 0.00 H new ATOM 1052 N SER C 31 93.523 8.515 -4.474 1.00 0.00 N ATOM 1053 CA SER C 31 92.728 9.386 -5.339 1.00 0.00 C ATOM 1054 C SER C 31 93.599 10.066 -6.394 1.00 0.00 C ATOM 1055 O SER C 31 93.213 10.165 -7.559 1.00 0.00 O ATOM 1056 CB SER C 31 92.020 10.449 -4.500 1.00 0.00 C ATOM 1057 OG SER C 31 91.218 11.260 -5.350 1.00 0.00 O ATOM 0 H SER C 31 93.465 8.735 -3.480 1.00 0.00 H new ATOM 0 HA SER C 31 91.990 8.767 -5.850 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.400 9.975 -3.739 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.753 11.064 -3.977 1.00 0.00 H new ATOM 0 HG SER C 31 90.761 11.942 -4.815 1.00 0.00 H new ATOM 1063 N ILE C 32 94.747 10.534 -5.988 1.00 0.00 N ATOM 1064 CA ILE C 32 95.657 11.215 -6.904 1.00 0.00 C ATOM 1065 C ILE C 32 95.967 10.336 -8.119 1.00 0.00 C ATOM 1066 O ILE C 32 96.233 10.840 -9.209 1.00 0.00 O ATOM 1067 CB ILE C 32 96.962 11.569 -6.173 1.00 0.00 C ATOM 1068 CG1 ILE C 32 96.695 12.677 -5.142 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.005 12.069 -7.177 1.00 0.00 C ATOM 1070 CD1 ILE C 32 95.823 12.148 -3.995 1.00 0.00 C ATOM 0 H ILE C 32 95.087 10.462 -5.029 1.00 0.00 H new ATOM 0 HA ILE C 32 95.175 12.128 -7.253 1.00 0.00 H new ATOM 0 HB ILE C 32 97.335 10.677 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE C 32 97.640 13.048 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE C 32 96.199 13.519 -5.625 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.927 12.318 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE C 32 98.206 11.289 -7.912 1.00 0.00 H new ATOM 0 HG23 ILE C 32 97.626 12.956 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE C 32 95.645 12.947 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE C 32 94.870 11.799 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE C 32 96.334 11.322 -3.501 1.00 0.00 H new ATOM 1082 N ILE C 33 95.949 9.048 -7.919 1.00 0.00 N ATOM 1083 CA ILE C 33 96.247 8.108 -8.997 1.00 0.00 C ATOM 1084 C ILE C 33 95.148 8.131 -10.061 1.00 0.00 C ATOM 1085 O ILE C 33 95.426 7.978 -11.251 1.00 0.00 O ATOM 1086 CB ILE C 33 96.400 6.682 -8.428 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.486 6.679 -7.328 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.808 5.706 -9.549 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.902 5.242 -6.984 1.00 0.00 C ATOM 0 H ILE C 33 95.732 8.611 -7.023 1.00 0.00 H new ATOM 0 HA ILE C 33 97.184 8.410 -9.465 1.00 0.00 H new ATOM 0 HB ILE C 33 95.447 6.365 -8.006 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.355 7.244 -7.666 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.109 7.178 -6.435 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.913 4.702 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.042 5.701 -10.324 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.758 6.023 -9.980 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.667 5.261 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.035 4.688 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.300 4.755 -7.874 1.00 0.00 H new ATOM 1101 N GLY C 34 93.926 8.294 -9.640 1.00 0.00 N ATOM 1102 CA GLY C 34 92.801 8.304 -10.572 1.00 0.00 C ATOM 1103 C GLY C 34 92.870 9.471 -11.555 1.00 0.00 C ATOM 1104 O GLY C 34 92.645 9.291 -12.752 1.00 0.00 O ATOM 0 H GLY C 34 93.669 8.423 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.784 7.366 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.868 8.360 -10.011 1.00 0.00 H new ATOM 1108 N ILE C 35 93.161 10.641 -11.063 1.00 0.00 N ATOM 1109 CA ILE C 35 93.237 11.816 -11.926 1.00 0.00 C ATOM 1110 C ILE C 35 94.457 11.739 -12.842 1.00 0.00 C ATOM 1111 O ILE C 35 94.452 12.288 -13.945 1.00 0.00 O ATOM 1112 CB ILE C 35 93.295 13.093 -11.075 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.463 14.331 -11.974 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.475 13.010 -10.108 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.348 14.384 -13.026 1.00 0.00 C ATOM 0 H ILE C 35 93.351 10.821 -10.077 1.00 0.00 H new ATOM 0 HA ILE C 35 92.342 11.843 -12.548 1.00 0.00 H new ATOM 0 HB ILE C 35 92.363 13.183 -10.517 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.441 15.235 -11.366 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.435 14.301 -12.466 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.515 13.917 -9.504 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.351 12.145 -9.456 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.402 12.909 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.481 15.265 -13.653 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.389 13.488 -13.645 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.380 14.436 -12.528 1.00 0.00 H new ATOM 1127 N LEU C 36 95.489 11.087 -12.379 1.00 0.00 N ATOM 1128 CA LEU C 36 96.719 10.966 -13.154 1.00 0.00 C ATOM 1129 C LEU C 36 96.492 10.225 -14.474 1.00 0.00 C ATOM 1130 O LEU C 36 96.931 10.684 -15.528 1.00 0.00 O ATOM 1131 CB LEU C 36 97.781 10.236 -12.320 1.00 0.00 C ATOM 1132 CG LEU C 36 99.052 9.991 -13.149 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.557 11.309 -13.752 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.133 9.403 -12.236 1.00 0.00 C ATOM 0 H LEU C 36 95.514 10.627 -11.469 1.00 0.00 H new ATOM 0 HA LEU C 36 97.063 11.971 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.025 10.826 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.382 9.285 -11.967 1.00 0.00 H new ATOM 0 HG LEU C 36 98.825 9.298 -13.960 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.458 11.120 -14.336 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.787 11.732 -14.398 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.785 12.012 -12.951 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.040 9.225 -12.814 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.348 10.104 -11.429 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.781 8.462 -11.815 1.00 0.00 H new ATOM 1146 N HIS C 37 95.844 9.089 -14.420 1.00 0.00 N ATOM 1147 CA HIS C 37 95.613 8.305 -15.635 1.00 0.00 C ATOM 1148 C HIS C 37 94.899 9.128 -16.707 1.00 0.00 C ATOM 1149 O HIS C 37 95.064 8.878 -17.901 1.00 0.00 O ATOM 1150 CB HIS C 37 94.812 7.032 -15.318 1.00 0.00 C ATOM 1151 CG HIS C 37 93.394 7.368 -14.936 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.607 8.244 -15.669 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.602 6.936 -13.901 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.405 8.311 -15.069 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.348 7.533 -13.987 1.00 0.00 N ATOM 0 H HIS C 37 95.466 8.679 -13.566 1.00 0.00 H new ATOM 0 HA HIS C 37 96.588 8.017 -16.028 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.812 6.372 -16.186 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.293 6.489 -14.504 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.906 6.238 -13.135 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.586 8.921 -15.421 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.556 7.404 -13.358 1.00 0.00 H new ATOM 1164 N PHE C 38 94.114 10.080 -16.288 1.00 0.00 N ATOM 1165 CA PHE C 38 93.372 10.921 -17.225 1.00 0.00 C ATOM 1166 C PHE C 38 94.311 11.696 -18.146 1.00 0.00 C ATOM 1167 O PHE C 38 94.053 11.818 -19.344 1.00 0.00 O ATOM 1168 CB PHE C 38 92.498 11.901 -16.442 1.00 0.00 C ATOM 1169 CG PHE C 38 91.535 12.589 -17.379 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.346 11.951 -17.750 1.00 0.00 C ATOM 1171 CD2 PHE C 38 91.829 13.866 -17.872 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.451 12.589 -18.615 1.00 0.00 C ATOM 1173 CE2 PHE C 38 90.933 14.505 -18.738 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.744 13.866 -19.110 1.00 0.00 C ATOM 0 H PHE C 38 93.962 10.305 -15.305 1.00 0.00 H new ATOM 0 HA PHE C 38 92.751 10.275 -17.845 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.947 11.371 -15.665 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.123 12.640 -15.941 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.120 10.966 -17.369 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.746 14.358 -17.585 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.533 12.097 -18.901 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.159 15.490 -19.119 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.053 14.358 -19.779 1.00 0.00 H new ATOM 1184 N ILE C 39 95.366 12.225 -17.595 1.00 0.00 N ATOM 1185 CA ILE C 39 96.315 13.005 -18.383 1.00 0.00 C ATOM 1186 C ILE C 39 96.888 12.183 -19.537 1.00 0.00 C ATOM 1187 O ILE C 39 96.973 12.667 -20.665 1.00 0.00 O ATOM 1188 CB ILE C 39 97.447 13.507 -17.486 1.00 0.00 C ATOM 1189 CG1 ILE C 39 96.841 14.262 -16.299 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.354 14.451 -18.283 1.00 0.00 C ATOM 1191 CD1 ILE C 39 97.950 14.699 -15.340 1.00 0.00 C ATOM 0 H ILE C 39 95.602 12.138 -16.607 1.00 0.00 H new ATOM 0 HA ILE C 39 95.783 13.856 -18.808 1.00 0.00 H new ATOM 0 HB ILE C 39 98.036 12.663 -17.127 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.290 15.133 -16.654 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.127 13.625 -15.777 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.160 14.808 -17.642 1.00 0.00 H new ATOM 0 HG22 ILE C 39 98.776 13.917 -19.134 1.00 0.00 H new ATOM 0 HG23 ILE C 39 97.771 15.300 -18.640 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.512 15.235 -14.498 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.482 13.821 -14.974 1.00 0.00 H new ATOM 0 HD13 ILE C 39 98.647 15.353 -15.864 1.00 0.00 H new ATOM 1203 N ALA C 40 97.275 10.969 -19.262 1.00 0.00 N ATOM 1204 CA ALA C 40 97.840 10.111 -20.300 1.00 0.00 C ATOM 1205 C ALA C 40 96.768 9.709 -21.313 1.00 0.00 C ATOM 1206 O ALA C 40 97.046 9.567 -22.503 1.00 0.00 O ATOM 1207 CB ALA C 40 98.442 8.854 -19.668 1.00 0.00 C ATOM 0 H ALA C 40 97.216 10.541 -18.338 1.00 0.00 H new ATOM 0 HA ALA C 40 98.620 10.669 -20.818 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.861 8.219 -20.449 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.229 9.139 -18.970 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.665 8.307 -19.134 1.00 0.00 H new ATOM 1213 N TRP C 41 95.572 9.516 -20.832 1.00 0.00 N ATOM 1214 CA TRP C 41 94.456 9.111 -21.686 1.00 0.00 C ATOM 1215 C TRP C 41 94.350 9.996 -22.925 1.00 0.00 C ATOM 1216 O TRP C 41 93.994 9.525 -24.006 1.00 0.00 O ATOM 1217 CB TRP C 41 93.150 9.196 -20.890 1.00 0.00 C ATOM 1218 CG TRP C 41 92.058 8.480 -21.620 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.504 8.886 -22.785 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.373 7.250 -21.249 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.531 7.978 -23.157 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.411 6.954 -22.242 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.493 6.370 -20.158 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.597 5.825 -22.156 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.673 5.234 -20.071 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.728 4.963 -21.067 1.00 0.00 C ATOM 0 H TRP C 41 95.329 9.630 -19.848 1.00 0.00 H new ATOM 0 HA TRP C 41 94.634 8.087 -22.014 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.287 8.756 -19.902 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.874 10.240 -20.739 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.777 9.775 -23.335 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.970 8.056 -24.005 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.219 6.569 -19.384 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.870 5.619 -22.928 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.772 4.564 -19.229 1.00 0.00 H new ATOM 0 HH2 TRP C 41 89.101 4.087 -20.993 1.00 0.00 H new ATOM 1237 N THR C 42 94.657 11.250 -22.767 1.00 0.00 N ATOM 1238 CA THR C 42 94.585 12.185 -23.888 1.00 0.00 C ATOM 1239 C THR C 42 95.430 11.696 -25.066 1.00 0.00 C ATOM 1240 O THR C 42 95.034 11.835 -26.224 1.00 0.00 O ATOM 1241 CB THR C 42 95.061 13.570 -23.451 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.322 13.454 -22.811 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.046 14.178 -22.483 1.00 0.00 C ATOM 0 H THR C 42 94.960 11.662 -21.884 1.00 0.00 H new ATOM 0 HA THR C 42 93.545 12.245 -24.210 1.00 0.00 H new ATOM 0 HB THR C 42 95.156 14.216 -24.324 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.192 13.173 -21.881 1.00 0.00 H new ATOM 0 HG21 THR C 42 94.386 15.166 -22.172 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.079 14.267 -22.978 1.00 0.00 H new ATOM 0 HG23 THR C 42 93.948 13.536 -21.608 1.00 0.00 H new ATOM 1251 N ILE C 43 96.574 11.141 -24.770 1.00 0.00 N ATOM 1252 CA ILE C 43 97.466 10.642 -25.818 1.00 0.00 C ATOM 1253 C ILE C 43 96.798 9.523 -26.615 1.00 0.00 C ATOM 1254 O ILE C 43 96.810 9.534 -27.844 1.00 0.00 O ATOM 1255 CB ILE C 43 98.765 10.132 -25.193 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.450 11.281 -24.447 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.695 9.615 -26.292 1.00 0.00 C ATOM 1258 CD1 ILE C 43 100.602 10.732 -23.603 1.00 0.00 C ATOM 0 H ILE C 43 96.922 11.017 -23.819 1.00 0.00 H new ATOM 0 HA ILE C 43 97.689 11.462 -26.500 1.00 0.00 H new ATOM 0 HB ILE C 43 98.542 9.322 -24.498 1.00 0.00 H new ATOM 0 HG12 ILE C 43 99.826 12.017 -25.158 1.00 0.00 H new ATOM 0 HG13 ILE C 43 98.730 11.793 -23.809 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.620 9.252 -25.845 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.207 8.801 -26.828 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.921 10.423 -26.987 1.00 0.00 H new ATOM 0 HD11 ILE C 43 101.088 11.552 -23.073 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.214 10.013 -22.882 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.326 10.240 -24.252 1.00 0.00 H new ATOM 1270 N GLY C 44 96.235 8.574 -25.919 1.00 0.00 N ATOM 1271 CA GLY C 44 95.577 7.442 -26.567 1.00 0.00 C ATOM 1272 C GLY C 44 94.630 7.900 -27.673 1.00 0.00 C ATOM 1273 O GLY C 44 94.376 7.164 -28.627 1.00 0.00 O ATOM 0 H GLY C 44 96.212 8.550 -24.900 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.330 6.774 -26.985 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.020 6.870 -25.824 1.00 0.00 H new ATOM 1277 N HIS C 45 94.109 9.085 -27.540 1.00 0.00 N ATOM 1278 CA HIS C 45 93.177 9.625 -28.526 1.00 0.00 C ATOM 1279 C HIS C 45 93.700 9.441 -29.952 1.00 0.00 C ATOM 1280 O HIS C 45 92.918 9.374 -30.899 1.00 0.00 O ATOM 1281 CB HIS C 45 92.952 11.112 -28.248 1.00 0.00 C ATOM 1282 CG HIS C 45 91.828 11.623 -29.103 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.921 12.810 -29.811 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.576 11.125 -29.369 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.759 12.986 -30.464 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.904 11.987 -30.229 1.00 0.00 N ATOM 0 H HIS C 45 94.306 9.710 -26.759 1.00 0.00 H new ATOM 0 HA HIS C 45 92.237 9.081 -28.441 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.718 11.263 -27.194 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.863 11.673 -28.456 1.00 0.00 H new ATOM 0 HD1 HIS C 45 92.725 13.437 -29.833 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.175 10.205 -28.971 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.543 13.831 -31.100 1.00 0.00 H new ATOM 1295 N LEU C 46 94.995 9.400 -30.104 1.00 0.00 N ATOM 1296 CA LEU C 46 95.586 9.270 -31.432 1.00 0.00 C ATOM 1297 C LEU C 46 94.886 8.179 -32.249 1.00 0.00 C ATOM 1298 O LEU C 46 94.594 8.379 -33.427 1.00 0.00 O ATOM 1299 CB LEU C 46 97.094 8.963 -31.316 1.00 0.00 C ATOM 1300 CG LEU C 46 97.337 7.560 -30.692 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.554 6.499 -31.792 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.586 7.595 -29.791 1.00 0.00 C ATOM 0 H LEU C 46 95.667 9.453 -29.339 1.00 0.00 H new ATOM 0 HA LEU C 46 95.453 10.218 -31.953 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.554 9.009 -32.303 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.577 9.725 -30.703 1.00 0.00 H new ATOM 0 HG LEU C 46 96.456 7.297 -30.106 1.00 0.00 H new ATOM 0 HD11 LEU C 46 97.722 5.526 -31.331 1.00 0.00 H new ATOM 0 HD12 LEU C 46 96.672 6.451 -32.430 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.422 6.770 -32.393 1.00 0.00 H new ATOM 0 HD21 LEU C 46 98.750 6.608 -29.357 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.455 7.879 -30.385 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.438 8.322 -28.993 1.00 0.00 H new ATOM 1314 N ASN C 47 94.613 7.054 -31.646 1.00 0.00 N ATOM 1315 CA ASN C 47 93.940 5.971 -32.363 1.00 0.00 C ATOM 1316 C ASN C 47 92.684 6.478 -33.084 1.00 0.00 C ATOM 1317 O ASN C 47 92.371 6.033 -34.189 1.00 0.00 O ATOM 1318 CB ASN C 47 93.554 4.851 -31.391 1.00 0.00 C ATOM 1319 CG ASN C 47 92.560 5.365 -30.352 1.00 0.00 C ATOM 1320 OD1 ASN C 47 91.817 4.581 -29.762 1.00 0.00 O ATOM 1321 ND2 ASN C 47 92.506 6.641 -30.088 1.00 0.00 N ATOM 0 H ASN C 47 94.837 6.851 -30.672 1.00 0.00 H new ATOM 0 HA ASN C 47 94.635 5.584 -33.108 1.00 0.00 H new ATOM 0 HB2 ASN C 47 93.116 4.018 -31.941 1.00 0.00 H new ATOM 0 HB3 ASN C 47 94.446 4.470 -30.893 1.00 0.00 H new ATOM 0 HD21 ASN C 47 91.847 6.990 -29.392 1.00 0.00 H new ATOM 0 HD22 ASN C 47 93.122 7.290 -30.578 1.00 0.00 H new ATOM 1328 N GLN C 48 91.974 7.380 -32.457 1.00 0.00 N ATOM 1329 CA GLN C 48 90.749 7.923 -33.037 1.00 0.00 C ATOM 1330 C GLN C 48 91.031 8.674 -34.330 1.00 0.00 C ATOM 1331 O GLN C 48 90.365 8.460 -35.345 1.00 0.00 O ATOM 1332 CB GLN C 48 90.071 8.863 -32.038 1.00 0.00 C ATOM 1333 CG GLN C 48 88.799 9.445 -32.661 1.00 0.00 C ATOM 1334 CD GLN C 48 87.934 10.084 -31.579 1.00 0.00 C ATOM 1335 OE1 GLN C 48 87.912 9.611 -30.443 1.00 0.00 O ATOM 1336 NE2 GLN C 48 87.217 11.137 -31.863 1.00 0.00 N ATOM 0 H GLN C 48 92.214 7.762 -31.542 1.00 0.00 H new ATOM 0 HA GLN C 48 90.088 7.086 -33.265 1.00 0.00 H new ATOM 0 HB2 GLN C 48 89.826 8.323 -31.124 1.00 0.00 H new ATOM 0 HB3 GLN C 48 90.752 9.667 -31.760 1.00 0.00 H new ATOM 0 HG2 GLN C 48 89.060 10.187 -33.415 1.00 0.00 H new ATOM 0 HG3 GLN C 48 88.240 8.659 -33.168 1.00 0.00 H new ATOM 0 HE21 GLN C 48 87.236 11.528 -32.805 1.00 0.00 H new ATOM 0 HE22 GLN C 48 86.638 11.569 -31.143 1.00 0.00 H new ATOM 1345 N ILE C 49 91.997 9.544 -34.281 1.00 0.00 N ATOM 1346 CA ILE C 49 92.376 10.347 -35.436 1.00 0.00 C ATOM 1347 C ILE C 49 93.524 9.684 -36.194 1.00 0.00 C ATOM 1348 O ILE C 49 93.577 8.460 -36.315 1.00 0.00 O ATOM 1349 CB ILE C 49 92.787 11.755 -34.951 1.00 0.00 C ATOM 1350 CG1 ILE C 49 92.834 12.754 -36.156 1.00 0.00 C ATOM 1351 CG2 ILE C 49 94.162 11.683 -34.232 1.00 0.00 C ATOM 1352 CD1 ILE C 49 91.730 13.814 -36.019 1.00 0.00 C ATOM 0 H ILE C 49 92.552 9.726 -33.445 1.00 0.00 H new ATOM 0 HA ILE C 49 91.530 10.430 -36.118 1.00 0.00 H new ATOM 0 HB ILE C 49 92.045 12.121 -34.241 1.00 0.00 H new ATOM 0 HG12 ILE C 49 93.809 13.239 -36.196 1.00 0.00 H new ATOM 0 HG13 ILE C 49 92.710 12.210 -37.092 1.00 0.00 H new ATOM 0 HG21 ILE C 49 94.447 12.679 -33.892 1.00 0.00 H new ATOM 0 HG22 ILE C 49 94.090 11.014 -33.375 1.00 0.00 H new ATOM 0 HG23 ILE C 49 94.915 11.306 -34.924 1.00 0.00 H new ATOM 0 HD11 ILE C 49 91.777 14.500 -36.865 1.00 0.00 H new ATOM 0 HD12 ILE C 49 90.756 13.325 -36.002 1.00 0.00 H new ATOM 0 HD13 ILE C 49 91.873 14.370 -35.092 1.00 0.00 H new ATOM 1364 N LYS C 50 94.419 10.488 -36.694 1.00 0.00 N ATOM 1365 CA LYS C 50 95.569 9.993 -37.455 1.00 0.00 C ATOM 1366 C LYS C 50 95.156 8.834 -38.370 1.00 0.00 C ATOM 1367 O LYS C 50 95.973 7.985 -38.724 1.00 0.00 O ATOM 1368 CB LYS C 50 96.693 9.553 -36.488 1.00 0.00 C ATOM 1369 CG LYS C 50 97.651 10.725 -36.227 1.00 0.00 C ATOM 1370 CD LYS C 50 98.672 10.337 -35.150 1.00 0.00 C ATOM 1371 CE LYS C 50 99.457 9.091 -35.581 1.00 0.00 C ATOM 1372 NZ LYS C 50 98.697 7.867 -35.196 1.00 0.00 N ATOM 0 H LYS C 50 94.388 11.503 -36.596 1.00 0.00 H new ATOM 0 HA LYS C 50 95.945 10.800 -38.084 1.00 0.00 H new ATOM 0 HB2 LYS C 50 96.261 9.209 -35.548 1.00 0.00 H new ATOM 0 HB3 LYS C 50 97.241 8.712 -36.913 1.00 0.00 H new ATOM 0 HG2 LYS C 50 98.167 10.996 -37.148 1.00 0.00 H new ATOM 0 HG3 LYS C 50 97.088 11.602 -35.907 1.00 0.00 H new ATOM 0 HD2 LYS C 50 99.359 11.165 -34.976 1.00 0.00 H new ATOM 0 HD3 LYS C 50 98.160 10.144 -34.207 1.00 0.00 H new ATOM 0 HE2 LYS C 50 99.621 9.106 -36.658 1.00 0.00 H new ATOM 0 HE3 LYS C 50 100.439 9.086 -35.109 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 99.301 7.252 -34.615 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 97.854 8.139 -34.651 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 98.405 7.356 -36.053 1.00 0.00 H new ATOM 1386 N ARG C 51 93.908 8.820 -38.750 1.00 0.00 N ATOM 1387 CA ARG C 51 93.395 7.775 -39.632 1.00 0.00 C ATOM 1388 C ARG C 51 92.144 8.264 -40.355 1.00 0.00 C ATOM 1389 O ARG C 51 91.103 8.480 -39.735 1.00 0.00 O ATOM 1390 CB ARG C 51 93.061 6.513 -38.824 1.00 0.00 C ATOM 1391 CG ARG C 51 92.860 5.312 -39.771 1.00 0.00 C ATOM 1392 CD ARG C 51 94.205 4.628 -40.058 1.00 0.00 C ATOM 1393 NE ARG C 51 94.014 3.499 -40.962 1.00 0.00 N ATOM 1394 CZ ARG C 51 94.953 2.610 -41.143 1.00 0.00 C ATOM 1395 NH1 ARG C 51 96.088 2.719 -40.508 1.00 0.00 N ATOM 1396 NH2 ARG C 51 94.757 1.611 -41.961 1.00 0.00 N ATOM 0 H ARG C 51 93.217 9.515 -38.469 1.00 0.00 H new ATOM 0 HA ARG C 51 94.164 7.535 -40.367 1.00 0.00 H new ATOM 0 HB2 ARG C 51 93.865 6.300 -38.120 1.00 0.00 H new ATOM 0 HB3 ARG C 51 92.158 6.677 -38.236 1.00 0.00 H new ATOM 0 HG2 ARG C 51 92.170 4.598 -39.322 1.00 0.00 H new ATOM 0 HG3 ARG C 51 92.409 5.648 -40.705 1.00 0.00 H new ATOM 0 HD2 ARG C 51 94.898 5.344 -40.500 1.00 0.00 H new ATOM 0 HD3 ARG C 51 94.653 4.285 -39.125 1.00 0.00 H new ATOM 0 HE ARG C 51 93.130 3.402 -41.462 1.00 0.00 H new ATOM 0 HH11 ARG C 51 96.242 3.499 -39.869 1.00 0.00 H new ATOM 0 HH12 ARG C 51 96.821 2.024 -40.650 1.00 0.00 H new ATOM 0 HH21 ARG C 51 93.871 1.525 -42.458 1.00 0.00 H new ATOM 0 HH22 ARG C 51 95.490 0.916 -42.103 1.00 0.00 H new ATOM 1410 N GLY C 52 92.254 8.439 -41.645 1.00 0.00 N ATOM 1411 CA GLY C 52 91.123 8.907 -42.440 1.00 0.00 C ATOM 1412 C GLY C 52 91.585 9.424 -43.797 1.00 0.00 C ATOM 0 H GLY C 52 93.107 8.268 -42.177 1.00 0.00 H new ATOM 0 HA2 GLY C 52 90.411 8.093 -42.580 1.00 0.00 H new ATOM 0 HA3 GLY C 52 90.600 9.699 -41.904 1.00 0.00 H new TER 1416 GLY C 52 ATOM 1417 N SER D 23 85.325 -0.889 8.710 1.00 0.00 N ATOM 1418 CA SER D 23 86.745 -0.929 9.160 1.00 0.00 C ATOM 1419 C SER D 23 87.481 -2.039 8.417 1.00 0.00 C ATOM 1420 O SER D 23 88.710 -2.045 8.349 1.00 0.00 O ATOM 1421 CB SER D 23 86.793 -1.186 10.666 1.00 0.00 C ATOM 1422 OG SER D 23 86.245 -2.468 10.942 1.00 0.00 O ATOM 0 HA SER D 23 87.227 0.025 8.945 1.00 0.00 H new ATOM 0 HB2 SER D 23 87.822 -1.133 11.023 1.00 0.00 H new ATOM 0 HB3 SER D 23 86.232 -0.416 11.196 1.00 0.00 H new ATOM 0 HG SER D 23 85.578 -2.692 10.260 1.00 0.00 H new ATOM 1427 N ASP D 24 86.736 -2.962 7.871 1.00 0.00 N ATOM 1428 CA ASP D 24 87.331 -4.071 7.133 1.00 0.00 C ATOM 1429 C ASP D 24 88.280 -3.536 6.055 1.00 0.00 C ATOM 1430 O ASP D 24 88.077 -2.435 5.544 1.00 0.00 O ATOM 1431 CB ASP D 24 86.226 -4.910 6.482 1.00 0.00 C ATOM 1432 CG ASP D 24 85.536 -5.776 7.532 1.00 0.00 C ATOM 1433 OD1 ASP D 24 85.357 -5.299 8.640 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.195 -6.903 7.211 1.00 0.00 O ATOM 0 H ASP D 24 85.717 -2.979 7.917 1.00 0.00 H new ATOM 0 HA ASP D 24 87.897 -4.695 7.824 1.00 0.00 H new ATOM 0 HB2 ASP D 24 85.497 -4.256 6.003 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.650 -5.541 5.701 1.00 0.00 H new ATOM 1439 N PRO D 25 89.303 -4.279 5.696 1.00 0.00 N ATOM 1440 CA PRO D 25 90.278 -3.837 4.652 1.00 0.00 C ATOM 1441 C PRO D 25 89.658 -3.849 3.252 1.00 0.00 C ATOM 1442 O PRO D 25 90.333 -4.129 2.261 1.00 0.00 O ATOM 1443 CB PRO D 25 91.428 -4.847 4.777 1.00 0.00 C ATOM 1444 CG PRO D 25 90.794 -6.083 5.331 1.00 0.00 C ATOM 1445 CD PRO D 25 89.651 -5.609 6.234 1.00 0.00 C ATOM 0 HA PRO D 25 90.608 -2.808 4.796 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.892 -5.040 3.810 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.211 -4.475 5.437 1.00 0.00 H new ATOM 0 HG2 PRO D 25 90.419 -6.720 4.530 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.517 -6.672 5.895 1.00 0.00 H new ATOM 0 HD2 PRO D 25 88.802 -6.291 6.195 1.00 0.00 H new ATOM 0 HD3 PRO D 25 89.964 -5.549 7.276 1.00 0.00 H new ATOM 1453 N LEU D 26 88.399 -3.534 3.191 1.00 0.00 N ATOM 1454 CA LEU D 26 87.689 -3.486 1.918 1.00 0.00 C ATOM 1455 C LEU D 26 88.130 -2.273 1.095 1.00 0.00 C ATOM 1456 O LEU D 26 88.237 -2.345 -0.130 1.00 0.00 O ATOM 1457 CB LEU D 26 86.178 -3.430 2.167 1.00 0.00 C ATOM 1458 CG LEU D 26 85.408 -3.497 0.837 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.696 -4.825 0.112 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.906 -3.386 1.129 1.00 0.00 C ATOM 0 H LEU D 26 87.828 -3.303 4.004 1.00 0.00 H new ATOM 0 HA LEU D 26 87.928 -4.388 1.354 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.879 -4.258 2.809 1.00 0.00 H new ATOM 0 HB3 LEU D 26 85.925 -2.510 2.694 1.00 0.00 H new ATOM 0 HG LEU D 26 85.728 -2.677 0.195 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.143 -4.854 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.764 -4.903 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.386 -5.658 0.742 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.349 -3.432 0.193 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.599 -4.209 1.775 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.701 -2.438 1.627 1.00 0.00 H new ATOM 1472 N VAL D 27 88.352 -1.174 1.769 1.00 0.00 N ATOM 1473 CA VAL D 27 88.753 0.073 1.111 1.00 0.00 C ATOM 1474 C VAL D 27 90.184 0.020 0.566 1.00 0.00 C ATOM 1475 O VAL D 27 90.454 0.512 -0.531 1.00 0.00 O ATOM 1476 CB VAL D 27 88.629 1.233 2.100 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.856 2.558 1.371 1.00 0.00 C ATOM 1478 CG2 VAL D 27 87.227 1.227 2.717 1.00 0.00 C ATOM 0 H VAL D 27 88.265 -1.103 2.783 1.00 0.00 H new ATOM 0 HA VAL D 27 88.087 0.219 0.261 1.00 0.00 H new ATOM 0 HB VAL D 27 89.376 1.120 2.885 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.767 3.382 2.078 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.853 2.564 0.930 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.110 2.673 0.584 1.00 0.00 H new ATOM 0 HG21 VAL D 27 87.136 2.053 3.422 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.482 1.339 1.929 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.063 0.284 3.239 1.00 0.00 H new ATOM 1488 N VAL D 28 91.081 -0.562 1.315 1.00 0.00 N ATOM 1489 CA VAL D 28 92.451 -0.666 0.903 1.00 0.00 C ATOM 1490 C VAL D 28 92.596 -1.647 -0.258 1.00 0.00 C ATOM 1491 O VAL D 28 93.358 -1.405 -1.193 1.00 0.00 O ATOM 1492 CB VAL D 28 93.267 -1.121 2.098 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.246 -0.043 3.183 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.700 -2.422 2.665 1.00 0.00 C ATOM 0 H VAL D 28 90.882 -0.976 2.226 1.00 0.00 H new ATOM 0 HA VAL D 28 92.810 0.302 0.553 1.00 0.00 H new ATOM 0 HB VAL D 28 94.293 -1.292 1.773 1.00 0.00 H new ATOM 0 HG11 VAL D 28 93.834 -0.376 4.038 1.00 0.00 H new ATOM 0 HG12 VAL D 28 93.671 0.879 2.788 1.00 0.00 H new ATOM 0 HG13 VAL D 28 92.218 0.137 3.497 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.296 -2.736 3.522 1.00 0.00 H new ATOM 0 HG22 VAL D 28 91.668 -2.263 2.979 1.00 0.00 H new ATOM 0 HG23 VAL D 28 92.730 -3.197 1.899 1.00 0.00 H new ATOM 1504 N ALA D 29 91.874 -2.732 -0.189 1.00 0.00 N ATOM 1505 CA ALA D 29 91.931 -3.744 -1.242 1.00 0.00 C ATOM 1506 C ALA D 29 91.694 -3.107 -2.608 1.00 0.00 C ATOM 1507 O ALA D 29 92.217 -3.568 -3.621 1.00 0.00 O ATOM 1508 CB ALA D 29 90.876 -4.824 -0.991 1.00 0.00 C ATOM 0 H ALA D 29 91.237 -2.950 0.577 1.00 0.00 H new ATOM 0 HA ALA D 29 92.922 -4.197 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.927 -5.573 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.064 -5.299 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.885 -4.370 -0.985 1.00 0.00 H new ATOM 1514 N ALA D 30 90.915 -2.065 -2.626 1.00 0.00 N ATOM 1515 CA ALA D 30 90.617 -1.363 -3.870 1.00 0.00 C ATOM 1516 C ALA D 30 91.828 -0.572 -4.363 1.00 0.00 C ATOM 1517 O ALA D 30 92.039 -0.423 -5.566 1.00 0.00 O ATOM 1518 CB ALA D 30 89.436 -0.414 -3.666 1.00 0.00 C ATOM 0 H ALA D 30 90.467 -1.671 -1.799 1.00 0.00 H new ATOM 0 HA ALA D 30 90.363 -2.109 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.221 0.105 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.560 -0.985 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.684 0.315 -2.894 1.00 0.00 H new ATOM 1524 N SER D 31 92.587 -0.049 -3.435 1.00 0.00 N ATOM 1525 CA SER D 31 93.759 0.762 -3.766 1.00 0.00 C ATOM 1526 C SER D 31 94.834 -0.035 -4.512 1.00 0.00 C ATOM 1527 O SER D 31 95.391 0.448 -5.497 1.00 0.00 O ATOM 1528 CB SER D 31 94.352 1.344 -2.482 1.00 0.00 C ATOM 1529 OG SER D 31 95.452 2.182 -2.810 1.00 0.00 O ATOM 0 H SER D 31 92.424 -0.164 -2.435 1.00 0.00 H new ATOM 0 HA SER D 31 93.428 1.559 -4.431 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.594 1.913 -1.943 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.677 0.540 -1.821 1.00 0.00 H new ATOM 0 HG SER D 31 95.833 2.558 -1.989 1.00 0.00 H new ATOM 1535 N ILE D 32 95.124 -1.224 -4.054 1.00 0.00 N ATOM 1536 CA ILE D 32 96.144 -2.052 -4.703 1.00 0.00 C ATOM 1537 C ILE D 32 95.807 -2.267 -6.177 1.00 0.00 C ATOM 1538 O ILE D 32 96.694 -2.452 -7.005 1.00 0.00 O ATOM 1539 CB ILE D 32 96.281 -3.404 -3.992 1.00 0.00 C ATOM 1540 CG1 ILE D 32 94.898 -3.994 -3.727 1.00 0.00 C ATOM 1541 CG2 ILE D 32 97.009 -3.215 -2.659 1.00 0.00 C ATOM 1542 CD1 ILE D 32 95.038 -5.462 -3.319 1.00 0.00 C ATOM 0 H ILE D 32 94.680 -1.651 -3.241 1.00 0.00 H new ATOM 0 HA ILE D 32 97.096 -1.526 -4.636 1.00 0.00 H new ATOM 0 HB ILE D 32 96.850 -4.082 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE D 32 94.397 -3.433 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE D 32 94.279 -3.911 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE D 32 97.104 -4.178 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE D 32 98.001 -2.801 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE D 32 96.441 -2.531 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE D 32 94.050 -5.883 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE D 32 95.522 -6.018 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE D 32 95.642 -5.532 -2.414 1.00 0.00 H new ATOM 1554 N ILE D 33 94.544 -2.235 -6.492 1.00 0.00 N ATOM 1555 CA ILE D 33 94.104 -2.416 -7.874 1.00 0.00 C ATOM 1556 C ILE D 33 94.475 -1.187 -8.717 1.00 0.00 C ATOM 1557 O ILE D 33 94.683 -1.292 -9.927 1.00 0.00 O ATOM 1558 CB ILE D 33 92.583 -2.665 -7.918 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.240 -3.860 -7.000 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.144 -2.976 -9.362 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.832 -4.388 -7.303 1.00 0.00 C ATOM 0 H ILE D 33 93.790 -2.086 -5.822 1.00 0.00 H new ATOM 0 HA ILE D 33 94.610 -3.285 -8.294 1.00 0.00 H new ATOM 0 HB ILE D 33 92.058 -1.774 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.971 -4.656 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.302 -3.553 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.068 -3.151 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.389 -2.132 -10.006 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.664 -3.866 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.610 -5.229 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.103 -3.595 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.782 -4.715 -8.341 1.00 0.00 H new ATOM 1573 N GLY D 34 94.536 -0.045 -8.083 1.00 0.00 N ATOM 1574 CA GLY D 34 94.855 1.206 -8.774 1.00 0.00 C ATOM 1575 C GLY D 34 96.276 1.236 -9.346 1.00 0.00 C ATOM 1576 O GLY D 34 96.493 1.770 -10.434 1.00 0.00 O ATOM 0 H GLY D 34 94.370 0.059 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.141 1.358 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.732 2.038 -8.080 1.00 0.00 H new ATOM 1580 N ILE D 35 97.225 0.692 -8.632 1.00 0.00 N ATOM 1581 CA ILE D 35 98.608 0.698 -9.113 1.00 0.00 C ATOM 1582 C ILE D 35 98.753 -0.219 -10.325 1.00 0.00 C ATOM 1583 O ILE D 35 99.598 0.006 -11.192 1.00 0.00 O ATOM 1584 CB ILE D 35 99.575 0.272 -7.995 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.509 -1.264 -7.760 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.192 1.016 -6.709 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.642 -1.979 -8.516 1.00 0.00 C ATOM 0 H ILE D 35 97.084 0.242 -7.727 1.00 0.00 H new ATOM 0 HA ILE D 35 98.863 1.714 -9.414 1.00 0.00 H new ATOM 0 HB ILE D 35 100.595 0.522 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.585 -1.477 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.544 -1.647 -8.093 1.00 0.00 H new ATOM 0 HG21 ILE D 35 99.868 0.725 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE D 35 99.266 2.091 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.169 0.761 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.577 -3.052 -8.338 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.548 -1.782 -9.584 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.605 -1.610 -8.163 1.00 0.00 H new ATOM 1599 N LEU D 36 97.938 -1.233 -10.369 1.00 0.00 N ATOM 1600 CA LEU D 36 97.969 -2.188 -11.468 1.00 0.00 C ATOM 1601 C LEU D 36 97.758 -1.470 -12.805 1.00 0.00 C ATOM 1602 O LEU D 36 98.231 -1.921 -13.843 1.00 0.00 O ATOM 1603 CB LEU D 36 96.877 -3.255 -11.246 1.00 0.00 C ATOM 1604 CG LEU D 36 97.361 -4.634 -11.716 1.00 0.00 C ATOM 1605 CD1 LEU D 36 96.246 -5.658 -11.496 1.00 0.00 C ATOM 1606 CD2 LEU D 36 97.729 -4.581 -13.204 1.00 0.00 C ATOM 0 H LEU D 36 97.235 -1.431 -9.657 1.00 0.00 H new ATOM 0 HA LEU D 36 98.944 -2.675 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.613 -3.298 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU D 36 95.974 -2.977 -11.789 1.00 0.00 H new ATOM 0 HG LEU D 36 98.243 -4.923 -11.145 1.00 0.00 H new ATOM 0 HD11 LEU D 36 96.583 -6.640 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU D 36 95.994 -5.700 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU D 36 95.365 -5.365 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU D 36 98.071 -5.563 -13.529 1.00 0.00 H new ATOM 0 HD22 LEU D 36 96.854 -4.291 -13.785 1.00 0.00 H new ATOM 0 HD23 LEU D 36 98.524 -3.851 -13.356 1.00 0.00 H new ATOM 1618 N HIS D 37 97.037 -0.386 -12.780 1.00 0.00 N ATOM 1619 CA HIS D 37 96.765 0.358 -14.004 1.00 0.00 C ATOM 1620 C HIS D 37 98.024 1.045 -14.535 1.00 0.00 C ATOM 1621 O HIS D 37 98.202 1.167 -15.745 1.00 0.00 O ATOM 1622 CB HIS D 37 95.699 1.425 -13.748 1.00 0.00 C ATOM 1623 CG HIS D 37 94.550 0.830 -12.986 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.634 1.615 -12.304 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.153 -0.469 -12.788 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.739 0.790 -11.732 1.00 0.00 C ATOM 1627 NE2 HIS D 37 93.009 -0.491 -11.996 1.00 0.00 N ATOM 0 H HIS D 37 96.623 0.011 -11.937 1.00 0.00 H new ATOM 0 HA HIS D 37 96.413 -0.358 -14.746 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.129 2.253 -13.185 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.346 1.833 -14.695 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.638 2.633 -12.246 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.652 -1.340 -13.186 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.904 1.123 -11.133 1.00 0.00 H new ATOM 1636 N PHE D 38 98.861 1.509 -13.647 1.00 0.00 N ATOM 1637 CA PHE D 38 100.080 2.217 -14.043 1.00 0.00 C ATOM 1638 C PHE D 38 101.079 1.318 -14.773 1.00 0.00 C ATOM 1639 O PHE D 38 101.627 1.714 -15.800 1.00 0.00 O ATOM 1640 CB PHE D 38 100.743 2.817 -12.800 1.00 0.00 C ATOM 1641 CG PHE D 38 101.956 3.627 -13.203 1.00 0.00 C ATOM 1642 CD1 PHE D 38 103.190 2.994 -13.387 1.00 0.00 C ATOM 1643 CD2 PHE D 38 101.845 5.012 -13.384 1.00 0.00 C ATOM 1644 CE1 PHE D 38 104.314 3.744 -13.753 1.00 0.00 C ATOM 1645 CE2 PHE D 38 102.970 5.762 -13.751 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.204 5.127 -13.935 1.00 0.00 C ATOM 0 H PHE D 38 98.734 1.417 -12.639 1.00 0.00 H new ATOM 0 HA PHE D 38 99.787 3.001 -14.741 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.033 3.450 -12.268 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.037 2.022 -12.115 1.00 0.00 H new ATOM 0 HD1 PHE D 38 103.275 1.927 -13.247 1.00 0.00 H new ATOM 0 HD2 PHE D 38 100.893 5.501 -13.241 1.00 0.00 H new ATOM 0 HE1 PHE D 38 105.266 3.255 -13.895 1.00 0.00 H new ATOM 0 HE2 PHE D 38 102.885 6.829 -13.892 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.072 5.705 -14.218 1.00 0.00 H new ATOM 1656 N ILE D 39 101.332 0.147 -14.253 1.00 0.00 N ATOM 1657 CA ILE D 39 102.298 -0.749 -14.890 1.00 0.00 C ATOM 1658 C ILE D 39 101.802 -1.225 -16.254 1.00 0.00 C ATOM 1659 O ILE D 39 102.585 -1.335 -17.193 1.00 0.00 O ATOM 1660 CB ILE D 39 102.609 -1.946 -13.975 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.360 -2.855 -13.822 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.039 -1.410 -12.604 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.417 -4.043 -14.799 1.00 0.00 C ATOM 0 H ILE D 39 100.898 -0.217 -13.405 1.00 0.00 H new ATOM 0 HA ILE D 39 103.218 -0.188 -15.051 1.00 0.00 H new ATOM 0 HB ILE D 39 103.409 -2.543 -14.413 1.00 0.00 H new ATOM 0 HG12 ILE D 39 101.298 -3.224 -12.798 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.457 -2.272 -14.005 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.264 -2.245 -11.941 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.927 -0.788 -12.719 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.232 -0.815 -12.177 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.530 -4.663 -14.670 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.454 -3.671 -15.823 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.308 -4.638 -14.597 1.00 0.00 H new ATOM 1675 N ALA D 40 100.532 -1.506 -16.370 1.00 0.00 N ATOM 1676 CA ALA D 40 99.985 -1.966 -17.646 1.00 0.00 C ATOM 1677 C ALA D 40 99.964 -0.833 -18.676 1.00 0.00 C ATOM 1678 O ALA D 40 100.233 -1.052 -19.858 1.00 0.00 O ATOM 1679 CB ALA D 40 98.568 -2.504 -17.442 1.00 0.00 C ATOM 0 H ALA D 40 99.852 -1.430 -15.613 1.00 0.00 H new ATOM 0 HA ALA D 40 100.627 -2.762 -18.024 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.167 -2.845 -18.397 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.593 -3.338 -16.741 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.933 -1.713 -17.043 1.00 0.00 H new ATOM 1685 N TRP D 41 99.641 0.352 -18.230 1.00 0.00 N ATOM 1686 CA TRP D 41 99.577 1.516 -19.116 1.00 0.00 C ATOM 1687 C TRP D 41 100.875 1.677 -19.902 1.00 0.00 C ATOM 1688 O TRP D 41 100.874 2.162 -21.034 1.00 0.00 O ATOM 1689 CB TRP D 41 99.333 2.781 -18.285 1.00 0.00 C ATOM 1690 CG TRP D 41 98.910 3.909 -19.175 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.709 4.549 -20.061 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.605 4.548 -19.263 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.970 5.531 -20.697 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.670 5.569 -20.239 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.382 4.339 -18.602 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.560 6.355 -20.547 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.265 5.130 -18.907 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.354 6.136 -19.879 1.00 0.00 C ATOM 0 H TRP D 41 99.415 0.551 -17.256 1.00 0.00 H new ATOM 0 HA TRP D 41 98.758 1.365 -19.820 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.564 2.591 -17.536 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.241 3.053 -17.747 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.751 4.329 -20.242 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.342 6.151 -21.417 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.302 3.564 -17.854 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.633 7.128 -21.298 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.331 4.963 -18.390 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.490 6.741 -20.111 1.00 0.00 H new ATOM 1709 N THR D 42 101.959 1.267 -19.310 1.00 0.00 N ATOM 1710 CA THR D 42 103.258 1.375 -19.968 1.00 0.00 C ATOM 1711 C THR D 42 103.309 0.510 -21.224 1.00 0.00 C ATOM 1712 O THR D 42 103.993 0.851 -22.190 1.00 0.00 O ATOM 1713 CB THR D 42 104.382 0.958 -19.015 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.178 -0.384 -18.601 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.390 1.879 -17.794 1.00 0.00 C ATOM 0 H THR D 42 101.985 0.855 -18.377 1.00 0.00 H new ATOM 0 HA THR D 42 103.398 2.418 -20.253 1.00 0.00 H new ATOM 0 HB THR D 42 105.340 1.036 -19.529 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.503 -0.408 -17.891 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.191 1.580 -17.118 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.552 2.908 -18.115 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.433 1.807 -17.277 1.00 0.00 H new ATOM 1723 N ILE D 43 102.610 -0.594 -21.210 1.00 0.00 N ATOM 1724 CA ILE D 43 102.608 -1.493 -22.359 1.00 0.00 C ATOM 1725 C ILE D 43 101.850 -0.889 -23.540 1.00 0.00 C ATOM 1726 O ILE D 43 102.366 -0.838 -24.656 1.00 0.00 O ATOM 1727 CB ILE D 43 101.957 -2.821 -21.967 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.532 -3.308 -20.630 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.229 -3.865 -23.051 1.00 0.00 C ATOM 1730 CD1 ILE D 43 104.064 -3.301 -20.675 1.00 0.00 C ATOM 0 H ILE D 43 102.034 -0.901 -20.426 1.00 0.00 H new ATOM 0 HA ILE D 43 103.642 -1.654 -22.663 1.00 0.00 H new ATOM 0 HB ILE D 43 100.882 -2.676 -21.864 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.182 -2.667 -19.821 1.00 0.00 H new ATOM 0 HG13 ILE D 43 102.172 -4.315 -20.417 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.765 -4.810 -22.770 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.812 -3.523 -23.998 1.00 0.00 H new ATOM 0 HG23 ILE D 43 103.304 -4.007 -23.158 1.00 0.00 H new ATOM 0 HD11 ILE D 43 104.458 -3.649 -19.720 1.00 0.00 H new ATOM 0 HD12 ILE D 43 104.408 -3.961 -21.471 1.00 0.00 H new ATOM 0 HD13 ILE D 43 104.418 -2.288 -20.866 1.00 0.00 H new ATOM 1742 N GLY D 44 100.644 -0.448 -23.299 1.00 0.00 N ATOM 1743 CA GLY D 44 99.827 0.137 -24.360 1.00 0.00 C ATOM 1744 C GLY D 44 100.579 1.242 -25.089 1.00 0.00 C ATOM 1745 O GLY D 44 100.354 1.487 -26.273 1.00 0.00 O ATOM 0 H GLY D 44 100.195 -0.477 -22.384 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.538 -0.639 -25.069 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.907 0.539 -23.935 1.00 0.00 H new ATOM 1749 N HIS D 45 101.456 1.896 -24.384 1.00 0.00 N ATOM 1750 CA HIS D 45 102.242 2.976 -24.958 1.00 0.00 C ATOM 1751 C HIS D 45 102.981 2.513 -26.213 1.00 0.00 C ATOM 1752 O HIS D 45 103.298 3.315 -27.085 1.00 0.00 O ATOM 1753 CB HIS D 45 103.245 3.500 -23.925 1.00 0.00 C ATOM 1754 CG HIS D 45 103.748 4.852 -24.353 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.095 5.179 -24.349 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.093 5.969 -24.808 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.204 6.446 -24.792 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.013 6.973 -25.085 1.00 0.00 N ATOM 0 H HIS D 45 101.654 1.706 -23.402 1.00 0.00 H new ATOM 0 HA HIS D 45 101.561 3.779 -25.241 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.771 3.570 -22.946 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.079 2.805 -23.827 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.024 6.055 -24.932 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.141 6.972 -24.897 1.00 0.00 H new ATOM 0 HE2 HIS D 45 103.820 7.911 -25.437 1.00 0.00 H new ATOM 1767 N LEU D 46 103.275 1.246 -26.289 1.00 0.00 N ATOM 1768 CA LEU D 46 104.004 0.719 -27.436 1.00 0.00 C ATOM 1769 C LEU D 46 103.392 1.188 -28.759 1.00 0.00 C ATOM 1770 O LEU D 46 104.114 1.372 -29.741 1.00 0.00 O ATOM 1771 CB LEU D 46 104.071 -0.827 -27.368 1.00 0.00 C ATOM 1772 CG LEU D 46 102.793 -1.486 -27.959 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.009 -1.847 -29.443 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.465 -2.778 -27.186 1.00 0.00 C ATOM 0 H LEU D 46 103.029 0.553 -25.582 1.00 0.00 H new ATOM 0 HA LEU D 46 105.020 1.111 -27.397 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.947 -1.177 -27.914 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.196 -1.140 -26.331 1.00 0.00 H new ATOM 0 HG LEU D 46 101.972 -0.775 -27.871 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.105 -2.307 -29.841 1.00 0.00 H new ATOM 0 HD12 LEU D 46 103.235 -0.943 -30.008 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.840 -2.546 -29.530 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.568 -3.235 -27.605 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.300 -3.474 -27.269 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.294 -2.540 -26.136 1.00 0.00 H new ATOM 1786 N ASN D 47 102.096 1.357 -28.806 1.00 0.00 N ATOM 1787 CA ASN D 47 101.447 1.774 -30.049 1.00 0.00 C ATOM 1788 C ASN D 47 102.169 2.974 -30.660 1.00 0.00 C ATOM 1789 O ASN D 47 102.536 2.949 -31.836 1.00 0.00 O ATOM 1790 CB ASN D 47 99.987 2.138 -29.765 1.00 0.00 C ATOM 1791 CG ASN D 47 99.212 2.258 -31.072 1.00 0.00 C ATOM 1792 OD1 ASN D 47 99.810 2.317 -32.145 1.00 0.00 O ATOM 1793 ND2 ASN D 47 97.906 2.295 -31.045 1.00 0.00 N ATOM 0 H ASN D 47 101.465 1.218 -28.017 1.00 0.00 H new ATOM 0 HA ASN D 47 101.489 0.948 -30.760 1.00 0.00 H new ATOM 0 HB2 ASN D 47 99.531 1.377 -29.132 1.00 0.00 H new ATOM 0 HB3 ASN D 47 99.939 3.079 -29.217 1.00 0.00 H new ATOM 0 HD21 ASN D 47 97.380 2.373 -31.915 1.00 0.00 H new ATOM 0 HD22 ASN D 47 97.413 2.246 -30.154 1.00 0.00 H new ATOM 1800 N GLN D 48 102.377 4.000 -29.878 1.00 0.00 N ATOM 1801 CA GLN D 48 103.058 5.180 -30.340 1.00 0.00 C ATOM 1802 C GLN D 48 104.563 5.015 -30.130 1.00 0.00 C ATOM 1803 O GLN D 48 105.121 3.972 -30.470 1.00 0.00 O ATOM 1804 CB GLN D 48 102.519 6.371 -29.553 1.00 0.00 C ATOM 1805 CG GLN D 48 102.626 6.129 -28.031 1.00 0.00 C ATOM 1806 CD GLN D 48 101.358 5.461 -27.492 1.00 0.00 C ATOM 1807 OE1 GLN D 48 101.192 4.247 -27.608 1.00 0.00 O ATOM 1808 NE2 GLN D 48 100.453 6.188 -26.894 1.00 0.00 N ATOM 0 H GLN D 48 102.079 4.041 -28.903 1.00 0.00 H new ATOM 0 HA GLN D 48 102.885 5.341 -31.404 1.00 0.00 H new ATOM 0 HB2 GLN D 48 103.075 7.269 -29.821 1.00 0.00 H new ATOM 0 HB3 GLN D 48 101.478 6.548 -29.824 1.00 0.00 H new ATOM 0 HG2 GLN D 48 103.491 5.500 -27.819 1.00 0.00 H new ATOM 0 HG3 GLN D 48 102.788 7.077 -27.519 1.00 0.00 H new ATOM 0 HE21 GLN D 48 100.589 7.194 -26.797 1.00 0.00 H new ATOM 0 HE22 GLN D 48 99.610 5.750 -26.524 1.00 0.00 H new ATOM 1817 N ILE D 49 105.193 6.022 -29.570 1.00 0.00 N ATOM 1818 CA ILE D 49 106.639 5.997 -29.289 1.00 0.00 C ATOM 1819 C ILE D 49 107.411 5.123 -30.292 1.00 0.00 C ATOM 1820 O ILE D 49 107.595 3.921 -30.102 1.00 0.00 O ATOM 1821 CB ILE D 49 106.851 5.551 -27.820 1.00 0.00 C ATOM 1822 CG1 ILE D 49 108.207 6.058 -27.297 1.00 0.00 C ATOM 1823 CG2 ILE D 49 106.757 4.021 -27.660 1.00 0.00 C ATOM 1824 CD1 ILE D 49 109.358 5.539 -28.170 1.00 0.00 C ATOM 0 H ILE D 49 104.732 6.888 -29.291 1.00 0.00 H new ATOM 0 HA ILE D 49 107.049 6.999 -29.415 1.00 0.00 H new ATOM 0 HB ILE D 49 106.049 5.992 -27.228 1.00 0.00 H new ATOM 0 HG12 ILE D 49 108.214 7.148 -27.289 1.00 0.00 H new ATOM 0 HG13 ILE D 49 108.350 5.731 -26.267 1.00 0.00 H new ATOM 0 HG21 ILE D 49 106.912 3.754 -26.615 1.00 0.00 H new ATOM 0 HG22 ILE D 49 105.771 3.682 -27.979 1.00 0.00 H new ATOM 0 HG23 ILE D 49 107.521 3.543 -28.273 1.00 0.00 H new ATOM 0 HD11 ILE D 49 110.306 5.910 -27.781 1.00 0.00 H new ATOM 0 HD12 ILE D 49 109.362 4.449 -28.156 1.00 0.00 H new ATOM 0 HD13 ILE D 49 109.224 5.888 -29.194 1.00 0.00 H new ATOM 1836 N LYS D 50 107.845 5.742 -31.360 1.00 0.00 N ATOM 1837 CA LYS D 50 108.589 5.038 -32.402 1.00 0.00 C ATOM 1838 C LYS D 50 107.954 3.683 -32.701 1.00 0.00 C ATOM 1839 O LYS D 50 108.446 2.644 -32.259 1.00 0.00 O ATOM 1840 CB LYS D 50 110.043 4.839 -31.964 1.00 0.00 C ATOM 1841 CG LYS D 50 110.755 6.196 -31.916 1.00 0.00 C ATOM 1842 CD LYS D 50 112.157 6.031 -31.309 1.00 0.00 C ATOM 1843 CE LYS D 50 113.109 5.413 -32.339 1.00 0.00 C ATOM 1844 NZ LYS D 50 114.508 5.506 -31.832 1.00 0.00 N ATOM 0 H LYS D 50 107.701 6.735 -31.542 1.00 0.00 H new ATOM 0 HA LYS D 50 108.562 5.643 -33.308 1.00 0.00 H new ATOM 0 HB2 LYS D 50 110.076 4.364 -30.983 1.00 0.00 H new ATOM 0 HB3 LYS D 50 110.555 4.173 -32.658 1.00 0.00 H new ATOM 0 HG2 LYS D 50 110.831 6.612 -32.921 1.00 0.00 H new ATOM 0 HG3 LYS D 50 110.173 6.901 -31.322 1.00 0.00 H new ATOM 0 HD2 LYS D 50 112.538 7.000 -30.986 1.00 0.00 H new ATOM 0 HD3 LYS D 50 112.106 5.397 -30.424 1.00 0.00 H new ATOM 0 HE2 LYS D 50 112.843 4.371 -32.518 1.00 0.00 H new ATOM 0 HE3 LYS D 50 113.020 5.934 -33.293 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 115.158 5.088 -32.528 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 114.757 6.504 -31.682 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 114.586 4.991 -30.932 1.00 0.00 H new ATOM 1858 N ARG D 51 106.880 3.701 -33.440 1.00 0.00 N ATOM 1859 CA ARG D 51 106.187 2.466 -33.792 1.00 0.00 C ATOM 1860 C ARG D 51 107.177 1.437 -34.329 1.00 0.00 C ATOM 1861 O ARG D 51 107.063 0.246 -34.043 1.00 0.00 O ATOM 1862 CB ARG D 51 105.112 2.747 -34.851 1.00 0.00 C ATOM 1863 CG ARG D 51 105.775 3.180 -36.163 1.00 0.00 C ATOM 1864 CD ARG D 51 104.707 3.691 -37.132 1.00 0.00 C ATOM 1865 NE ARG D 51 105.304 3.989 -38.430 1.00 0.00 N ATOM 1866 CZ ARG D 51 106.067 5.034 -38.603 1.00 0.00 C ATOM 1867 NH1 ARG D 51 106.316 5.837 -37.605 1.00 0.00 N ATOM 1868 NH2 ARG D 51 106.583 5.274 -39.777 1.00 0.00 N ATOM 0 H ARG D 51 106.456 4.549 -33.816 1.00 0.00 H new ATOM 0 HA ARG D 51 105.712 2.068 -32.895 1.00 0.00 H new ATOM 0 HB2 ARG D 51 104.509 1.854 -35.015 1.00 0.00 H new ATOM 0 HB3 ARG D 51 104.437 3.527 -34.499 1.00 0.00 H new ATOM 0 HG2 ARG D 51 106.510 3.962 -35.970 1.00 0.00 H new ATOM 0 HG3 ARG D 51 106.311 2.341 -36.606 1.00 0.00 H new ATOM 0 HD2 ARG D 51 103.923 2.943 -37.248 1.00 0.00 H new ATOM 0 HD3 ARG D 51 104.236 4.586 -36.726 1.00 0.00 H new ATOM 0 HE ARG D 51 105.121 3.368 -39.218 1.00 0.00 H new ATOM 0 HH11 ARG D 51 105.914 5.649 -36.687 1.00 0.00 H new ATOM 0 HH12 ARG D 51 106.913 6.653 -37.743 1.00 0.00 H new ATOM 0 HH21 ARG D 51 106.390 4.646 -40.557 1.00 0.00 H new ATOM 0 HH22 ARG D 51 107.179 6.090 -39.915 1.00 0.00 H new ATOM 1882 N GLY D 52 108.128 1.898 -35.095 1.00 0.00 N ATOM 1883 CA GLY D 52 109.130 1.008 -35.669 1.00 0.00 C ATOM 1884 C GLY D 52 110.134 0.558 -34.613 1.00 0.00 C ATOM 0 H GLY D 52 108.240 2.881 -35.342 1.00 0.00 H new ATOM 0 HA2 GLY D 52 108.640 0.137 -36.104 1.00 0.00 H new ATOM 0 HA3 GLY D 52 109.653 1.518 -36.478 1.00 0.00 H new TER 1888 GLY D 52